data_19450
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19450
_Entry.PDB_ID 2MCR
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 19450
_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 CYS N N 2 126.377 126.377 120.898 5.479 19450
2 1 1 . 1 1 2 2 CYS CB C 2 38.890 38.890 26.985 11.905 19450
3 1 1 . 1 1 2 2 CYS H H 2 9.029 9.029 8.370 0.659 19450
4 1 1 . 1 1 3 3 GLU N N 3 124.885 124.885 123.275 1.610 19450
5 1 1 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.324 0.382 19450
6 1 1 . 1 1 3 3 GLU CA C 3 55.882 55.882 55.053 0.828 19450
7 1 1 . 1 1 3 3 GLU CB C 3 32.564 32.564 32.463 0.101 19450
8 1 1 . 1 1 3 3 GLU H H 3 8.376 8.376 8.364 0.012 19450
9 1 1 . 1 1 4 4 ASP N N 4 121.930 121.930 119.304 2.626 19450
10 1 1 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.627 0.521 19450
11 1 1 . 1 1 4 4 ASP CA C 4 55.056 55.056 54.516 0.541 19450
12 1 1 . 1 1 4 4 ASP CB C 4 43.228 43.228 41.027 2.201 19450
13 1 1 . 1 1 4 4 ASP H H 4 8.876 8.876 8.571 0.305 19450
14 1 1 . 1 1 5 5 LEU N N 5 119.092 119.092 121.193 -2.101 19450
15 1 1 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.380 0.320 19450
16 1 1 . 1 1 5 5 LEU CA C 5 54.430 54.430 54.968 -0.537 19450
17 1 1 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.585 0.776 19450
18 1 1 . 1 1 5 5 LEU H H 5 9.373 9.373 8.260 1.113 19450
19 1 1 . 1 1 6 6 ASN N N 6 117.782 117.782 117.552 0.230 19450
20 1 1 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.803 0.115 19450
21 1 1 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.177 0.840 19450
22 1 1 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.677 2.238 19450
23 1 1 . 1 1 6 6 ASN H H 6 7.398 7.398 7.567 -0.169 19450
24 1 1 . 1 1 7 7 ALA N N 7 130.815 130.815 127.666 3.149 19450
25 1 1 . 1 1 7 7 ALA HA H 7 4.152 4.152 4.047 0.105 19450
26 1 1 . 1 1 7 7 ALA CA C 7 54.108 54.108 54.074 0.034 19450
27 1 1 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.461 -0.091 19450
28 1 1 . 1 1 7 7 ALA H H 7 9.016 9.016 8.571 0.445 19450
29 1 1 . 1 1 8 8 HIS N N 8 114.507 114.507 114.212 0.295 19450
30 1 1 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.318 0.017 19450
31 1 1 . 1 1 8 8 HIS CA C 8 62.017 62.017 54.974 7.043 19450
32 1 1 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.568 -2.972 19450
33 1 1 . 1 1 8 8 HIS H H 8 9.346 9.346 7.694 1.652 19450
34 1 1 . 1 1 9 9 CYS N N 9 116.419 116.419 119.293 -2.874 19450
35 1 1 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.903 0.531 19450
36 1 1 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.336 -3.547 19450
37 1 1 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.581 10.351 19450
38 1 1 . 1 1 9 9 CYS H H 9 7.505 7.505 7.734 -0.229 19450
39 1 1 . 1 1 10 10 GLU N N 10 119.951 119.951 118.970 0.981 19450
40 1 1 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.931 0.151 19450
41 1 1 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.761 0.416 19450
42 1 1 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.334 -1.187 19450
43 1 1 . 1 1 10 10 GLU H H 10 8.848 8.848 8.388 0.460 19450
44 1 1 . 1 1 11 11 MET N N 11 121.293 121.293 117.108 4.185 19450
45 1 1 . 1 1 11 11 MET HA H 11 4.107 4.107 4.273 -0.166 19450
46 1 1 . 1 1 11 11 MET CA C 11 58.574 58.574 57.899 0.675 19450
47 1 1 . 1 1 11 11 MET CB C 11 31.841 31.841 31.192 0.649 19450
48 1 1 . 1 1 11 11 MET H H 11 7.920 7.920 7.981 -0.061 19450
49 1 1 . 1 1 12 12 TRP N N 12 118.764 118.764 118.527 0.237 19450
50 1 1 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.934 0.311 19450
51 1 1 . 1 1 12 12 TRP CA C 12 58.110 58.110 56.563 1.546 19450
52 1 1 . 1 1 12 12 TRP CB C 12 28.680 28.680 27.941 0.739 19450
53 1 1 . 1 1 12 12 TRP H H 12 8.383 8.383 8.085 0.298 19450
54 1 1 . 1 1 13 13 GLN N N 13 123.583 123.583 119.772 3.811 19450
55 1 1 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.114 0.121 19450
56 1 1 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.604 0.607 19450
57 1 1 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.758 -0.869 19450
58 1 1 . 1 1 13 13 GLN H H 13 9.051 9.051 8.886 0.165 19450
59 1 1 . 1 1 14 14 GLN N N 14 114.111 114.111 118.746 -4.635 19450
60 1 1 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.126 -0.151 19450
61 1 1 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.196 0.739 19450
62 1 1 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.333 -0.334 19450
63 1 1 . 1 1 14 14 GLN H H 14 8.359 8.359 8.138 0.221 19450
64 1 1 . 1 1 15 15 LEU N N 15 117.658 117.658 118.229 -0.571 19450
65 1 1 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.520 -0.049 19450
66 1 1 . 1 1 15 15 LEU CA C 15 54.794 54.794 54.784 0.010 19450
67 1 1 . 1 1 15 15 LEU CB C 15 43.107 43.107 42.524 0.583 19450
68 1 1 . 1 1 15 15 LEU H H 15 7.553 7.553 7.315 0.238 19450
69 1 1 . 1 1 16 16 GLY N N 16 106.380 106.380 105.137 1.243 19450
70 1 1 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.264 0.996 19450
71 1 1 . 1 1 16 16 GLY H H 16 7.859 7.859 7.880 -0.021 19450
72 1 1 . 1 1 17 17 HIS N N 17 116.016 116.016 119.756 -3.740 19450
73 1 1 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.287 -0.054 19450
74 1 1 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.272 -1.359 19450
75 1 1 . 1 1 17 17 HIS CB C 17 29.782 29.782 30.055 -0.273 19450
76 1 1 . 1 1 17 17 HIS H H 17 8.606 8.606 9.037 -0.431 19450
77 1 1 . 1 1 18 18 CYS N N 18 119.185 119.185 115.424 3.761 19450
78 1 1 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.411 -0.391 19450
79 1 1 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.546 -2.141 19450
80 1 1 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.546 11.391 19450
81 1 1 . 1 1 18 18 CYS H H 18 9.681 9.681 8.501 1.180 19450
82 1 1 . 1 1 19 19 GLN N N 19 114.091 114.091 118.634 -4.543 19450
83 1 1 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.045 0.239 19450
84 1 1 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.460 -0.912 19450
85 1 1 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.595 0.147 19450
86 1 1 . 1 1 19 19 GLN H H 19 7.173 7.173 7.662 -0.489 19450
87 1 1 . 1 1 20 20 TYR N N 20 116.340 116.340 116.072 0.268 19450
88 1 1 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.660 -0.027 19450
89 1 1 . 1 1 20 20 TYR CA C 20 58.801 58.801 58.547 0.254 19450
90 1 1 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.625 -0.651 19450
91 1 1 . 1 1 20 20 TYR H H 20 7.442 7.442 8.132 -0.690 19450
92 1 1 . 1 1 21 21 SER N N 21 123.873 123.873 114.855 9.018 19450
93 1 1 . 1 1 21 21 SER HA H 21 4.933 4.933 5.094 -0.161 19450
94 1 1 . 1 1 21 21 SER CA C 21 54.779 54.779 54.411 0.367 19450
95 1 1 . 1 1 21 21 SER CB C 21 63.040 63.040 63.853 -0.813 19450
96 1 1 . 1 1 21 21 SER H H 21 8.372 8.372 8.498 -0.126 19450
97 1 1 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.574 -0.331 19450
98 1 1 . 1 1 22 22 PRO CA C 22 65.637 65.637 63.951 1.686 19450
99 1 1 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.250 -0.410 19450
100 1 1 . 1 1 23 23 LYS N N 23 121.196 121.196 119.073 2.123 19450
101 1 1 . 1 1 23 23 LYS HA H 23 4.126 4.126 4.051 0.075 19450
102 1 1 . 1 1 23 23 LYS CA C 23 59.531 59.531 58.800 0.731 19450
103 1 1 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.261 0.407 19450
104 1 1 . 1 1 23 23 LYS H H 23 8.225 8.225 8.823 -0.598 19450
105 1 1 . 1 1 24 24 TYR N N 24 120.716 120.716 114.043 6.673 19450
106 1 1 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.798 -0.474 19450
107 1 1 . 1 1 24 24 TYR CA C 24 55.347 55.347 58.866 -3.519 19450
108 1 1 . 1 1 24 24 TYR CB C 24 39.369 39.369 38.925 0.444 19450
109 1 1 . 1 1 24 24 TYR H H 24 8.318 8.318 7.615 0.703 19450
110 1 1 . 1 1 25 25 MET N N 25 117.494 117.494 119.599 -2.105 19450
111 1 1 . 1 1 25 25 MET HA H 25 4.344 4.344 4.622 -0.278 19450
112 1 1 . 1 1 25 25 MET CA C 25 56.843 56.843 56.038 0.805 19450
113 1 1 . 1 1 25 25 MET CB C 25 31.620 31.620 32.166 -0.546 19450
114 1 1 . 1 1 25 25 MET H H 25 8.636 8.636 7.731 0.905 19450
115 1 1 . 1 1 26 26 GLY N N 26 104.942 104.942 106.147 -1.205 19450
116 1 1 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.298 -1.383 19450
117 1 1 . 1 1 26 26 GLY H H 26 8.290 8.290 8.296 -0.006 19450
118 1 1 . 1 1 27 27 HIS N N 27 115.046 115.046 117.498 -2.452 19450
119 1 1 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.491 0.075 19450
120 1 1 . 1 1 27 27 HIS CA C 27 56.626 56.626 57.476 -0.850 19450
121 1 1 . 1 1 27 27 HIS CB C 27 29.875 29.875 30.143 -0.268 19450
122 1 1 . 1 1 27 27 HIS H H 27 7.206 7.206 8.429 -1.223 19450
123 1 1 . 1 1 28 28 TYR N N 28 114.431 114.431 116.062 -1.631 19450
124 1 1 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.637 -0.326 19450
125 1 1 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.130 1.319 19450
126 1 1 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.207 -1.545 19450
127 1 1 . 1 1 28 28 TYR H H 28 8.199 8.199 7.710 0.489 19450
128 1 1 . 1 1 29 29 CYS N N 29 119.776 119.776 119.784 -0.008 19450
129 1 1 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.831 1.175 19450
130 1 1 . 1 1 29 29 CYS CA C 29 51.384 51.384 58.390 -7.006 19450
131 1 1 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.606 9.449 19450
132 1 1 . 1 1 29 29 CYS H H 29 8.466 8.466 9.074 -0.608 19450
133 1 1 . 1 1 30 30 LYS N N 30 119.011 119.011 125.400 -6.389 19450
134 1 1 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.255 -0.661 19450
135 1 1 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.445 2.799 19450
136 1 1 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.648 1.592 19450
137 1 1 . 1 1 30 30 LYS H H 30 8.872 8.872 8.690 0.182 19450
138 1 1 . 1 1 31 31 LYS N N 31 117.963 117.963 120.283 -2.320 19450
139 1 1 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.879 0.149 19450
140 1 1 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.302 -0.333 19450
141 1 1 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.677 0.648 19450
142 1 1 . 1 1 31 31 LYS H H 31 7.183 7.183 8.437 -1.254 19450
143 1 1 . 1 1 32 32 ALA N N 32 129.495 129.495 120.173 9.322 19450
144 1 1 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.262 -0.148 19450
145 1 1 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.630 1.515 19450
146 1 1 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.626 -0.534 19450
147 1 1 . 1 1 32 32 ALA H H 32 11.370 11.370 8.312 3.058 19450
148 1 1 . 1 1 33 33 CYS N N 33 109.017 109.017 115.311 -6.294 19450
149 1 1 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.541 0.354 19450
150 1 1 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.421 -4.147 19450
151 1 1 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.634 7.160 19450
152 1 1 . 1 1 33 33 CYS H H 33 7.904 7.904 7.175 0.729 19450
153 1 1 . 1 1 34 34 GLY N N 34 110.854 110.854 109.821 1.033 19450
154 1 1 . 1 1 34 34 GLY CA C 34 47.128 47.128 46.041 1.087 19450
155 1 1 . 1 1 34 34 GLY H H 34 8.130 8.130 8.787 -0.657 19450
156 1 1 . 1 1 35 35 LEU N N 35 118.448 118.448 118.399 0.049 19450
157 1 1 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.603 -0.105 19450
158 1 1 . 1 1 35 35 LEU CA C 35 54.259 54.259 55.200 -0.941 19450
159 1 1 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.998 -1.130 19450
160 1 1 . 1 1 35 35 LEU H H 35 8.601 8.601 7.249 1.352 19450
161 1 2 . 1 1 2 2 CYS N N 2 126.377 126.377 122.387 3.990 19450
162 1 2 . 1 1 2 2 CYS CB C 2 38.890 38.890 28.210 10.680 19450
163 1 2 . 1 1 2 2 CYS H H 2 9.029 9.029 8.365 0.664 19450
164 1 2 . 1 1 3 3 GLU N N 3 124.885 124.885 122.759 2.126 19450
165 1 2 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.364 0.342 19450
166 1 2 . 1 1 3 3 GLU CA C 3 55.882 55.882 55.447 0.435 19450
167 1 2 . 1 1 3 3 GLU CB C 3 32.564 32.564 32.846 -0.282 19450
168 1 2 . 1 1 3 3 GLU H H 3 8.376 8.376 8.245 0.131 19450
169 1 2 . 1 1 4 4 ASP N N 4 121.930 121.930 119.530 2.400 19450
170 1 2 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.615 0.533 19450
171 1 2 . 1 1 4 4 ASP CA C 4 55.056 55.056 54.629 0.427 19450
172 1 2 . 1 1 4 4 ASP CB C 4 43.228 43.228 40.804 2.424 19450
173 1 2 . 1 1 4 4 ASP H H 4 8.876 8.876 8.604 0.272 19450
174 1 2 . 1 1 5 5 LEU N N 5 119.092 119.092 121.917 -2.825 19450
175 1 2 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.367 0.333 19450
176 1 2 . 1 1 5 5 LEU CA C 5 54.430 54.430 55.029 -0.599 19450
177 1 2 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.587 0.774 19450
178 1 2 . 1 1 5 5 LEU H H 5 9.373 9.373 8.277 1.096 19450
179 1 2 . 1 1 6 6 ASN N N 6 117.782 117.782 117.493 0.289 19450
180 1 2 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.817 0.101 19450
181 1 2 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.225 0.792 19450
182 1 2 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.685 2.230 19450
183 1 2 . 1 1 6 6 ASN H H 6 7.398 7.398 7.566 -0.168 19450
184 1 2 . 1 1 7 7 ALA N N 7 130.815 130.815 127.493 3.322 19450
185 1 2 . 1 1 7 7 ALA HA H 7 4.152 4.152 4.068 0.084 19450
186 1 2 . 1 1 7 7 ALA CA C 7 54.108 54.108 54.109 -0.001 19450
187 1 2 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.461 -0.091 19450
188 1 2 . 1 1 7 7 ALA H H 7 9.016 9.016 8.606 0.410 19450
189 1 2 . 1 1 8 8 HIS N N 8 114.507 114.507 114.381 0.126 19450
190 1 2 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.319 0.016 19450
191 1 2 . 1 1 8 8 HIS CA C 8 62.017 62.017 54.938 7.079 19450
192 1 2 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.641 -3.045 19450
193 1 2 . 1 1 8 8 HIS H H 8 9.346 9.346 7.779 1.567 19450
194 1 2 . 1 1 9 9 CYS N N 9 116.419 116.419 118.918 -2.499 19450
195 1 2 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.886 0.548 19450
196 1 2 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.152 -3.363 19450
197 1 2 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.499 10.433 19450
198 1 2 . 1 1 9 9 CYS H H 9 7.505 7.505 7.596 -0.091 19450
199 1 2 . 1 1 10 10 GLU N N 10 119.951 119.951 118.770 1.181 19450
200 1 2 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.969 0.113 19450
201 1 2 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.526 0.651 19450
202 1 2 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.041 -0.894 19450
203 1 2 . 1 1 10 10 GLU H H 10 8.848 8.848 8.290 0.558 19450
204 1 2 . 1 1 11 11 MET N N 11 121.293 121.293 118.790 2.503 19450
205 1 2 . 1 1 11 11 MET HA H 11 4.107 4.107 4.235 -0.128 19450
206 1 2 . 1 1 11 11 MET CA C 11 58.574 58.574 58.681 -0.107 19450
207 1 2 . 1 1 11 11 MET CB C 11 31.841 31.841 32.354 -0.513 19450
208 1 2 . 1 1 11 11 MET H H 11 7.920 7.920 7.916 0.004 19450
209 1 2 . 1 1 12 12 TRP N N 12 118.764 118.764 117.519 1.245 19450
210 1 2 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.799 0.446 19450
211 1 2 . 1 1 12 12 TRP CA C 12 58.110 58.110 56.408 1.702 19450
212 1 2 . 1 1 12 12 TRP CB C 12 28.680 28.680 28.183 0.497 19450
213 1 2 . 1 1 12 12 TRP H H 12 8.383 8.383 7.953 0.430 19450
214 1 2 . 1 1 13 13 GLN N N 13 123.583 123.583 119.807 3.776 19450
215 1 2 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.160 0.075 19450
216 1 2 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.577 0.634 19450
217 1 2 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.810 -0.921 19450
218 1 2 . 1 1 13 13 GLN H H 13 9.051 9.051 8.819 0.232 19450
219 1 2 . 1 1 14 14 GLN N N 14 114.111 114.111 119.577 -5.466 19450
220 1 2 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.172 -0.197 19450
221 1 2 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.384 0.551 19450
222 1 2 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.420 -0.421 19450
223 1 2 . 1 1 14 14 GLN H H 14 8.359 8.359 8.342 0.017 19450
224 1 2 . 1 1 15 15 LEU N N 15 117.658 117.658 118.425 -0.767 19450
225 1 2 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.622 -0.151 19450
226 1 2 . 1 1 15 15 LEU CA C 15 54.794 54.794 54.798 -0.004 19450
227 1 2 . 1 1 15 15 LEU CB C 15 43.107 43.107 42.184 0.923 19450
228 1 2 . 1 1 15 15 LEU H H 15 7.553 7.553 7.441 0.112 19450
229 1 2 . 1 1 16 16 GLY N N 16 106.380 106.380 106.403 -0.023 19450
230 1 2 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.422 0.838 19450
231 1 2 . 1 1 16 16 GLY H H 16 7.859 7.859 7.983 -0.124 19450
232 1 2 . 1 1 17 17 HIS N N 17 116.016 116.016 119.854 -3.838 19450
233 1 2 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.312 -0.079 19450
234 1 2 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.303 -1.391 19450
235 1 2 . 1 1 17 17 HIS CB C 17 29.782 29.782 30.057 -0.275 19450
236 1 2 . 1 1 17 17 HIS H H 17 8.606 8.606 9.161 -0.555 19450
237 1 2 . 1 1 18 18 CYS N N 18 119.185 119.185 115.459 3.726 19450
238 1 2 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.434 -0.414 19450
239 1 2 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.538 -2.133 19450
240 1 2 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.588 11.349 19450
241 1 2 . 1 1 18 18 CYS H H 18 9.681 9.681 8.592 1.089 19450
242 1 2 . 1 1 19 19 GLN N N 19 114.091 114.091 118.632 -4.541 19450
243 1 2 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.017 0.267 19450
244 1 2 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.437 -0.889 19450
245 1 2 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.596 0.146 19450
246 1 2 . 1 1 19 19 GLN H H 19 7.173 7.173 7.740 -0.567 19450
247 1 2 . 1 1 20 20 TYR N N 20 116.340 116.340 115.817 0.523 19450
248 1 2 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.633 -0.000 19450
249 1 2 . 1 1 20 20 TYR CA C 20 58.801 58.801 59.224 -0.423 19450
250 1 2 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.782 -0.808 19450
251 1 2 . 1 1 20 20 TYR H H 20 7.442 7.442 8.346 -0.904 19450
252 1 2 . 1 1 21 21 SER N N 21 123.873 123.873 114.463 9.410 19450
253 1 2 . 1 1 21 21 SER HA H 21 4.933 4.933 5.075 -0.142 19450
254 1 2 . 1 1 21 21 SER CA C 21 54.779 54.779 54.889 -0.110 19450
255 1 2 . 1 1 21 21 SER CB C 21 63.040 63.040 63.742 -0.702 19450
256 1 2 . 1 1 21 21 SER H H 21 8.372 8.372 8.535 -0.163 19450
257 1 2 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.585 -0.342 19450
258 1 2 . 1 1 22 22 PRO CA C 22 65.637 65.637 64.121 1.516 19450
259 1 2 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.205 -0.365 19450
260 1 2 . 1 1 23 23 LYS N N 23 121.196 121.196 119.338 1.858 19450
261 1 2 . 1 1 23 23 LYS HA H 23 4.126 4.126 3.981 0.145 19450
262 1 2 . 1 1 23 23 LYS CA C 23 59.531 59.531 58.928 0.603 19450
263 1 2 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.823 -0.155 19450
264 1 2 . 1 1 23 23 LYS H H 23 8.225 8.225 8.586 -0.361 19450
265 1 2 . 1 1 24 24 TYR N N 24 120.716 120.716 114.020 6.696 19450
266 1 2 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.769 -0.445 19450
267 1 2 . 1 1 24 24 TYR CA C 24 55.347 55.347 59.074 -3.727 19450
268 1 2 . 1 1 24 24 TYR CB C 24 39.369 39.369 39.180 0.189 19450
269 1 2 . 1 1 24 24 TYR H H 24 8.318 8.318 7.565 0.753 19450
270 1 2 . 1 1 25 25 MET N N 25 117.494 117.494 119.540 -2.046 19450
271 1 2 . 1 1 25 25 MET HA H 25 4.344 4.344 4.623 -0.279 19450
272 1 2 . 1 1 25 25 MET CA C 25 56.843 56.843 55.923 0.920 19450
273 1 2 . 1 1 25 25 MET CB C 25 31.620 31.620 32.190 -0.570 19450
274 1 2 . 1 1 25 25 MET H H 25 8.636 8.636 7.708 0.928 19450
275 1 2 . 1 1 26 26 GLY N N 26 104.942 104.942 105.964 -1.022 19450
276 1 2 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.423 -1.508 19450
277 1 2 . 1 1 26 26 GLY H H 26 8.290 8.290 8.225 0.065 19450
278 1 2 . 1 1 27 27 HIS N N 27 115.046 115.046 117.489 -2.443 19450
279 1 2 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.526 0.040 19450
280 1 2 . 1 1 27 27 HIS CA C 27 56.626 56.626 56.981 -0.355 19450
281 1 2 . 1 1 27 27 HIS CB C 27 29.875 29.875 30.032 -0.157 19450
282 1 2 . 1 1 27 27 HIS H H 27 7.206 7.206 8.304 -1.098 19450
283 1 2 . 1 1 28 28 TYR N N 28 114.431 114.431 116.018 -1.587 19450
284 1 2 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.644 -0.333 19450
285 1 2 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.128 1.321 19450
286 1 2 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.234 -1.572 19450
287 1 2 . 1 1 28 28 TYR H H 28 8.199 8.199 7.744 0.455 19450
288 1 2 . 1 1 29 29 CYS N N 29 119.776 119.776 119.913 -0.137 19450
289 1 2 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.834 1.172 19450
290 1 2 . 1 1 29 29 CYS CA C 29 51.384 51.384 58.457 -7.073 19450
291 1 2 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.502 9.553 19450
292 1 2 . 1 1 29 29 CYS H H 29 8.466 8.466 8.991 -0.525 19450
293 1 2 . 1 1 30 30 LYS N N 30 119.011 119.011 125.466 -6.455 19450
294 1 2 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.257 -0.663 19450
295 1 2 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.406 2.838 19450
296 1 2 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.626 1.615 19450
297 1 2 . 1 1 30 30 LYS H H 30 8.872 8.872 8.688 0.184 19450
298 1 2 . 1 1 31 31 LYS N N 31 117.963 117.963 120.372 -2.409 19450
299 1 2 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.872 0.157 19450
300 1 2 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.300 -0.331 19450
301 1 2 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.691 0.635 19450
302 1 2 . 1 1 31 31 LYS H H 31 7.183 7.183 8.450 -1.267 19450
303 1 2 . 1 1 32 32 ALA N N 32 129.495 129.495 119.086 10.409 19450
304 1 2 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.245 -0.131 19450
305 1 2 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.590 1.555 19450
306 1 2 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.650 -0.558 19450
307 1 2 . 1 1 32 32 ALA H H 32 11.370 11.370 8.297 3.073 19450
308 1 2 . 1 1 33 33 CYS N N 33 109.017 109.017 115.447 -6.430 19450
309 1 2 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.555 0.340 19450
310 1 2 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.432 -4.159 19450
311 1 2 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.636 7.157 19450
312 1 2 . 1 1 33 33 CYS H H 33 7.904 7.904 7.215 0.689 19450
313 1 2 . 1 1 34 34 GLY N N 34 110.854 110.854 110.368 0.486 19450
314 1 2 . 1 1 34 34 GLY CA C 34 47.128 47.128 46.152 0.976 19450
315 1 2 . 1 1 34 34 GLY H H 34 8.130 8.130 8.786 -0.656 19450
316 1 2 . 1 1 35 35 LEU N N 35 118.448 118.448 118.746 -0.298 19450
317 1 2 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.559 -0.061 19450
318 1 2 . 1 1 35 35 LEU CA C 35 54.259 54.259 55.583 -1.324 19450
319 1 2 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.900 -1.032 19450
320 1 2 . 1 1 35 35 LEU H H 35 8.601 8.601 7.525 1.076 19450
321 1 3 . 1 1 2 2 CYS N N 2 126.377 126.377 123.641 2.736 19450
322 1 3 . 1 1 2 2 CYS CB C 2 38.890 38.890 27.253 11.637 19450
323 1 3 . 1 1 2 2 CYS H H 2 9.029 9.029 8.508 0.521 19450
324 1 3 . 1 1 3 3 GLU N N 3 124.885 124.885 122.183 2.702 19450
325 1 3 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.360 0.346 19450
326 1 3 . 1 1 3 3 GLU CA C 3 55.882 55.882 54.982 0.900 19450
327 1 3 . 1 1 3 3 GLU CB C 3 32.564 32.564 32.692 -0.128 19450
328 1 3 . 1 1 3 3 GLU H H 3 8.376 8.376 8.410 -0.034 19450
329 1 3 . 1 1 4 4 ASP N N 4 121.930 121.930 120.457 1.473 19450
330 1 3 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.692 0.456 19450
331 1 3 . 1 1 4 4 ASP CA C 4 55.056 55.056 54.534 0.522 19450
332 1 3 . 1 1 4 4 ASP CB C 4 43.228 43.228 40.901 2.327 19450
333 1 3 . 1 1 4 4 ASP H H 4 8.876 8.876 8.704 0.172 19450
334 1 3 . 1 1 5 5 LEU N N 5 119.092 119.092 120.907 -1.815 19450
335 1 3 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.424 0.276 19450
336 1 3 . 1 1 5 5 LEU CA C 5 54.430 54.430 54.753 -0.323 19450
337 1 3 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.675 0.686 19450
338 1 3 . 1 1 5 5 LEU H H 5 9.373 9.373 8.140 1.233 19450
339 1 3 . 1 1 6 6 ASN N N 6 117.782 117.782 117.643 0.139 19450
340 1 3 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.805 0.113 19450
341 1 3 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.186 0.831 19450
342 1 3 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.622 2.293 19450
343 1 3 . 1 1 6 6 ASN H H 6 7.398 7.398 7.595 -0.197 19450
344 1 3 . 1 1 7 7 ALA N N 7 130.815 130.815 127.606 3.209 19450
345 1 3 . 1 1 7 7 ALA HA H 7 4.152 4.152 3.997 0.155 19450
346 1 3 . 1 1 7 7 ALA CA C 7 54.108 54.108 54.212 -0.104 19450
347 1 3 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.426 -0.056 19450
348 1 3 . 1 1 7 7 ALA H H 7 9.016 9.016 8.576 0.440 19450
349 1 3 . 1 1 8 8 HIS N N 8 114.507 114.507 114.221 0.286 19450
350 1 3 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.316 0.019 19450
351 1 3 . 1 1 8 8 HIS CA C 8 62.017 62.017 54.793 7.224 19450
352 1 3 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.525 -2.929 19450
353 1 3 . 1 1 8 8 HIS H H 8 9.346 9.346 7.747 1.599 19450
354 1 3 . 1 1 9 9 CYS N N 9 116.419 116.419 119.009 -2.590 19450
355 1 3 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.814 0.620 19450
356 1 3 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.224 -3.435 19450
357 1 3 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.888 10.044 19450
358 1 3 . 1 1 9 9 CYS H H 9 7.505 7.505 7.709 -0.204 19450
359 1 3 . 1 1 10 10 GLU N N 10 119.951 119.951 118.176 1.775 19450
360 1 3 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.912 0.170 19450
361 1 3 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.334 0.843 19450
362 1 3 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.249 -1.102 19450
363 1 3 . 1 1 10 10 GLU H H 10 8.848 8.848 8.379 0.469 19450
364 1 3 . 1 1 11 11 MET N N 11 121.293 121.293 119.069 2.224 19450
365 1 3 . 1 1 11 11 MET HA H 11 4.107 4.107 4.223 -0.116 19450
366 1 3 . 1 1 11 11 MET CA C 11 58.574 58.574 58.609 -0.035 19450
367 1 3 . 1 1 11 11 MET CB C 11 31.841 31.841 32.354 -0.513 19450
368 1 3 . 1 1 11 11 MET H H 11 7.920 7.920 7.894 0.026 19450
369 1 3 . 1 1 12 12 TRP N N 12 118.764 118.764 118.056 0.708 19450
370 1 3 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.813 0.432 19450
371 1 3 . 1 1 12 12 TRP CA C 12 58.110 58.110 56.484 1.626 19450
372 1 3 . 1 1 12 12 TRP CB C 12 28.680 28.680 28.112 0.568 19450
373 1 3 . 1 1 12 12 TRP H H 12 8.383 8.383 7.934 0.449 19450
374 1 3 . 1 1 13 13 GLN N N 13 123.583 123.583 119.774 3.809 19450
375 1 3 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.147 0.088 19450
376 1 3 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.604 0.607 19450
377 1 3 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.739 -0.850 19450
378 1 3 . 1 1 13 13 GLN H H 13 9.051 9.051 8.602 0.449 19450
379 1 3 . 1 1 14 14 GLN N N 14 114.111 114.111 120.550 -6.439 19450
380 1 3 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.146 -0.171 19450
381 1 3 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.377 0.558 19450
382 1 3 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.213 -0.214 19450
383 1 3 . 1 1 14 14 GLN H H 14 8.359 8.359 8.357 0.002 19450
384 1 3 . 1 1 15 15 LEU N N 15 117.658 117.658 118.511 -0.853 19450
385 1 3 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.588 -0.117 19450
386 1 3 . 1 1 15 15 LEU CA C 15 54.794 54.794 54.833 -0.039 19450
387 1 3 . 1 1 15 15 LEU CB C 15 43.107 43.107 42.086 1.021 19450
388 1 3 . 1 1 15 15 LEU H H 15 7.553 7.553 7.474 0.079 19450
389 1 3 . 1 1 16 16 GLY N N 16 106.380 106.380 106.262 0.118 19450
390 1 3 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.453 0.807 19450
391 1 3 . 1 1 16 16 GLY H H 16 7.859 7.859 8.059 -0.200 19450
392 1 3 . 1 1 17 17 HIS N N 17 116.016 116.016 119.956 -3.940 19450
393 1 3 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.285 -0.052 19450
394 1 3 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.377 -1.465 19450
395 1 3 . 1 1 17 17 HIS CB C 17 29.782 29.782 30.059 -0.277 19450
396 1 3 . 1 1 17 17 HIS H H 17 8.606 8.606 9.138 -0.532 19450
397 1 3 . 1 1 18 18 CYS N N 18 119.185 119.185 115.330 3.855 19450
398 1 3 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.448 -0.428 19450
399 1 3 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.540 -2.135 19450
400 1 3 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.578 11.359 19450
401 1 3 . 1 1 18 18 CYS H H 18 9.681 9.681 8.592 1.089 19450
402 1 3 . 1 1 19 19 GLN N N 19 114.091 114.091 118.704 -4.613 19450
403 1 3 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.022 0.262 19450
404 1 3 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.468 -0.920 19450
405 1 3 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.645 0.097 19450
406 1 3 . 1 1 19 19 GLN H H 19 7.173 7.173 7.770 -0.597 19450
407 1 3 . 1 1 20 20 TYR N N 20 116.340 116.340 116.191 0.149 19450
408 1 3 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.643 -0.010 19450
409 1 3 . 1 1 20 20 TYR CA C 20 58.801 58.801 59.293 -0.492 19450
410 1 3 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.809 -0.835 19450
411 1 3 . 1 1 20 20 TYR H H 20 7.442 7.442 8.333 -0.891 19450
412 1 3 . 1 1 21 21 SER N N 21 123.873 123.873 115.100 8.773 19450
413 1 3 . 1 1 21 21 SER HA H 21 4.933 4.933 5.099 -0.166 19450
414 1 3 . 1 1 21 21 SER CA C 21 54.779 54.779 54.562 0.217 19450
415 1 3 . 1 1 21 21 SER CB C 21 63.040 63.040 63.956 -0.916 19450
416 1 3 . 1 1 21 21 SER H H 21 8.372 8.372 8.602 -0.230 19450
417 1 3 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.594 -0.351 19450
418 1 3 . 1 1 22 22 PRO CA C 22 65.637 65.637 64.116 1.521 19450
419 1 3 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.239 -0.399 19450
420 1 3 . 1 1 23 23 LYS N N 23 121.196 121.196 119.003 2.193 19450
421 1 3 . 1 1 23 23 LYS HA H 23 4.126 4.126 4.059 0.067 19450
422 1 3 . 1 1 23 23 LYS CA C 23 59.531 59.531 58.641 0.890 19450
423 1 3 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.162 0.506 19450
424 1 3 . 1 1 23 23 LYS H H 23 8.225 8.225 8.813 -0.588 19450
425 1 3 . 1 1 24 24 TYR N N 24 120.716 120.716 113.960 6.756 19450
426 1 3 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.771 -0.447 19450
427 1 3 . 1 1 24 24 TYR CA C 24 55.347 55.347 58.776 -3.429 19450
428 1 3 . 1 1 24 24 TYR CB C 24 39.369 39.369 39.016 0.353 19450
429 1 3 . 1 1 24 24 TYR H H 24 8.318 8.318 7.593 0.725 19450
430 1 3 . 1 1 25 25 MET N N 25 117.494 117.494 118.531 -1.037 19450
431 1 3 . 1 1 25 25 MET HA H 25 4.344 4.344 4.720 -0.376 19450
432 1 3 . 1 1 25 25 MET CA C 25 56.843 56.843 55.670 1.173 19450
433 1 3 . 1 1 25 25 MET CB C 25 31.620 31.620 32.733 -1.113 19450
434 1 3 . 1 1 25 25 MET H H 25 8.636 8.636 7.720 0.916 19450
435 1 3 . 1 1 26 26 GLY N N 26 104.942 104.942 106.373 -1.431 19450
436 1 3 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.280 -1.365 19450
437 1 3 . 1 1 26 26 GLY H H 26 8.290 8.290 8.288 0.002 19450
438 1 3 . 1 1 27 27 HIS N N 27 115.046 115.046 117.412 -2.366 19450
439 1 3 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.486 0.080 19450
440 1 3 . 1 1 27 27 HIS CA C 27 56.626 56.626 57.345 -0.719 19450
441 1 3 . 1 1 27 27 HIS CB C 27 29.875 29.875 30.066 -0.191 19450
442 1 3 . 1 1 27 27 HIS H H 27 7.206 7.206 8.424 -1.218 19450
443 1 3 . 1 1 28 28 TYR N N 28 114.431 114.431 116.090 -1.659 19450
444 1 3 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.656 -0.345 19450
445 1 3 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.130 1.319 19450
446 1 3 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.358 -1.696 19450
447 1 3 . 1 1 28 28 TYR H H 28 8.199 8.199 7.770 0.429 19450
448 1 3 . 1 1 29 29 CYS N N 29 119.776 119.776 119.830 -0.054 19450
449 1 3 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.880 1.126 19450
450 1 3 . 1 1 29 29 CYS CA C 29 51.384 51.384 58.256 -6.872 19450
451 1 3 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.682 9.373 19450
452 1 3 . 1 1 29 29 CYS H H 29 8.466 8.466 9.125 -0.659 19450
453 1 3 . 1 1 30 30 LYS N N 30 119.011 119.011 125.453 -6.442 19450
454 1 3 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.253 -0.659 19450
455 1 3 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.524 2.720 19450
456 1 3 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.654 1.586 19450
457 1 3 . 1 1 30 30 LYS H H 30 8.872 8.872 8.716 0.156 19450
458 1 3 . 1 1 31 31 LYS N N 31 117.963 117.963 120.308 -2.345 19450
459 1 3 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.918 0.110 19450
460 1 3 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.259 -0.290 19450
461 1 3 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.702 0.623 19450
462 1 3 . 1 1 31 31 LYS H H 31 7.183 7.183 8.439 -1.256 19450
463 1 3 . 1 1 32 32 ALA N N 32 129.495 129.495 119.679 9.816 19450
464 1 3 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.302 -0.188 19450
465 1 3 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.294 1.851 19450
466 1 3 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.648 -0.555 19450
467 1 3 . 1 1 32 32 ALA H H 32 11.370 11.370 8.301 3.069 19450
468 1 3 . 1 1 33 33 CYS N N 33 109.017 109.017 115.547 -6.530 19450
469 1 3 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.589 0.306 19450
470 1 3 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.437 -4.163 19450
471 1 3 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.632 7.161 19450
472 1 3 . 1 1 33 33 CYS H H 33 7.904 7.904 7.344 0.560 19450
473 1 3 . 1 1 34 34 GLY N N 34 110.854 110.854 109.378 1.476 19450
474 1 3 . 1 1 34 34 GLY CA C 34 47.128 47.128 46.160 0.968 19450
475 1 3 . 1 1 34 34 GLY H H 34 8.130 8.130 8.668 -0.538 19450
476 1 3 . 1 1 35 35 LEU N N 35 118.448 118.448 119.909 -1.461 19450
477 1 3 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.237 0.261 19450
478 1 3 . 1 1 35 35 LEU CA C 35 54.259 54.259 56.148 -1.889 19450
479 1 3 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.099 -0.231 19450
480 1 3 . 1 1 35 35 LEU H H 35 8.601 8.601 7.611 0.990 19450
481 1 4 . 1 1 2 2 CYS N N 2 126.377 126.377 121.781 4.596 19450
482 1 4 . 1 1 2 2 CYS CB C 2 38.890 38.890 28.634 10.256 19450
483 1 4 . 1 1 2 2 CYS H H 2 9.029 9.029 8.528 0.501 19450
484 1 4 . 1 1 3 3 GLU N N 3 124.885 124.885 122.641 2.244 19450
485 1 4 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.345 0.361 19450
486 1 4 . 1 1 3 3 GLU CA C 3 55.882 55.882 55.100 0.782 19450
487 1 4 . 1 1 3 3 GLU CB C 3 32.564 32.564 32.331 0.233 19450
488 1 4 . 1 1 3 3 GLU H H 3 8.376 8.376 8.332 0.044 19450
489 1 4 . 1 1 4 4 ASP N N 4 121.930 121.930 119.891 2.039 19450
490 1 4 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.661 0.487 19450
491 1 4 . 1 1 4 4 ASP CA C 4 55.056 55.056 54.651 0.405 19450
492 1 4 . 1 1 4 4 ASP CB C 4 43.228 43.228 40.897 2.331 19450
493 1 4 . 1 1 4 4 ASP H H 4 8.876 8.876 8.693 0.183 19450
494 1 4 . 1 1 5 5 LEU N N 5 119.092 119.092 121.109 -2.017 19450
495 1 4 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.424 0.276 19450
496 1 4 . 1 1 5 5 LEU CA C 5 54.430 54.430 54.760 -0.329 19450
497 1 4 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.663 0.698 19450
498 1 4 . 1 1 5 5 LEU H H 5 9.373 9.373 8.112 1.261 19450
499 1 4 . 1 1 6 6 ASN N N 6 117.782 117.782 117.652 0.130 19450
500 1 4 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.815 0.103 19450
501 1 4 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.200 0.817 19450
502 1 4 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.681 2.234 19450
503 1 4 . 1 1 6 6 ASN H H 6 7.398 7.398 7.608 -0.210 19450
504 1 4 . 1 1 7 7 ALA N N 7 130.815 130.815 127.388 3.427 19450
505 1 4 . 1 1 7 7 ALA HA H 7 4.152 4.152 4.034 0.118 19450
506 1 4 . 1 1 7 7 ALA CA C 7 54.108 54.108 54.176 -0.068 19450
507 1 4 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.465 -0.095 19450
508 1 4 . 1 1 7 7 ALA H H 7 9.016 9.016 8.561 0.455 19450
509 1 4 . 1 1 8 8 HIS N N 8 114.507 114.507 114.192 0.315 19450
510 1 4 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.319 0.016 19450
511 1 4 . 1 1 8 8 HIS CA C 8 62.017 62.017 54.752 7.265 19450
512 1 4 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.466 -2.870 19450
513 1 4 . 1 1 8 8 HIS H H 8 9.346 9.346 7.748 1.598 19450
514 1 4 . 1 1 9 9 CYS N N 9 116.419 116.419 119.089 -2.670 19450
515 1 4 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.845 0.589 19450
516 1 4 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.252 -3.463 19450
517 1 4 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.879 10.053 19450
518 1 4 . 1 1 9 9 CYS H H 9 7.505 7.505 7.638 -0.133 19450
519 1 4 . 1 1 10 10 GLU N N 10 119.951 119.951 118.144 1.807 19450
520 1 4 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.917 0.165 19450
521 1 4 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.328 0.849 19450
522 1 4 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.256 -1.109 19450
523 1 4 . 1 1 10 10 GLU H H 10 8.848 8.848 8.382 0.466 19450
524 1 4 . 1 1 11 11 MET N N 11 121.293 121.293 119.187 2.106 19450
525 1 4 . 1 1 11 11 MET HA H 11 4.107 4.107 4.075 0.032 19450
526 1 4 . 1 1 11 11 MET CA C 11 58.574 58.574 58.626 -0.052 19450
527 1 4 . 1 1 11 11 MET CB C 11 31.841 31.841 32.358 -0.517 19450
528 1 4 . 1 1 11 11 MET H H 11 7.920 7.920 7.857 0.063 19450
529 1 4 . 1 1 12 12 TRP N N 12 118.764 118.764 117.878 0.886 19450
530 1 4 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.904 0.341 19450
531 1 4 . 1 1 12 12 TRP CA C 12 58.110 58.110 56.522 1.588 19450
532 1 4 . 1 1 12 12 TRP CB C 12 28.680 28.680 28.061 0.619 19450
533 1 4 . 1 1 12 12 TRP H H 12 8.383 8.383 7.974 0.409 19450
534 1 4 . 1 1 13 13 GLN N N 13 123.583 123.583 119.826 3.757 19450
535 1 4 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.149 0.086 19450
536 1 4 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.611 0.600 19450
537 1 4 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.762 -0.873 19450
538 1 4 . 1 1 13 13 GLN H H 13 9.051 9.051 8.521 0.530 19450
539 1 4 . 1 1 14 14 GLN N N 14 114.111 114.111 120.399 -6.288 19450
540 1 4 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.158 -0.183 19450
541 1 4 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.344 0.591 19450
542 1 4 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.269 -0.270 19450
543 1 4 . 1 1 14 14 GLN H H 14 8.359 8.359 8.376 -0.017 19450
544 1 4 . 1 1 15 15 LEU N N 15 117.658 117.658 118.542 -0.884 19450
545 1 4 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.613 -0.142 19450
546 1 4 . 1 1 15 15 LEU CA C 15 54.794 54.794 54.800 -0.006 19450
547 1 4 . 1 1 15 15 LEU CB C 15 43.107 43.107 42.186 0.921 19450
548 1 4 . 1 1 15 15 LEU H H 15 7.553 7.553 7.439 0.114 19450
549 1 4 . 1 1 16 16 GLY N N 16 106.380 106.380 106.336 0.044 19450
550 1 4 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.385 0.875 19450
551 1 4 . 1 1 16 16 GLY H H 16 7.859 7.859 8.063 -0.204 19450
552 1 4 . 1 1 17 17 HIS N N 17 116.016 116.016 119.740 -3.724 19450
553 1 4 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.322 -0.089 19450
554 1 4 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.377 -1.465 19450
555 1 4 . 1 1 17 17 HIS CB C 17 29.782 29.782 30.116 -0.334 19450
556 1 4 . 1 1 17 17 HIS H H 17 8.606 8.606 9.067 -0.461 19450
557 1 4 . 1 1 18 18 CYS N N 18 119.185 119.185 115.335 3.850 19450
558 1 4 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.409 -0.389 19450
559 1 4 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.590 -2.186 19450
560 1 4 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.547 11.390 19450
561 1 4 . 1 1 18 18 CYS H H 18 9.681 9.681 8.569 1.112 19450
562 1 4 . 1 1 19 19 GLN N N 19 114.091 114.091 118.598 -4.507 19450
563 1 4 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.007 0.277 19450
564 1 4 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.471 -0.923 19450
565 1 4 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.594 0.148 19450
566 1 4 . 1 1 19 19 GLN H H 19 7.173 7.173 7.730 -0.557 19450
567 1 4 . 1 1 20 20 TYR N N 20 116.340 116.340 115.874 0.466 19450
568 1 4 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.624 0.009 19450
569 1 4 . 1 1 20 20 TYR CA C 20 58.801 58.801 59.270 -0.469 19450
570 1 4 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.698 -0.724 19450
571 1 4 . 1 1 20 20 TYR H H 20 7.442 7.442 8.261 -0.819 19450
572 1 4 . 1 1 21 21 SER N N 21 123.873 123.873 113.997 9.876 19450
573 1 4 . 1 1 21 21 SER HA H 21 4.933 4.933 5.072 -0.139 19450
574 1 4 . 1 1 21 21 SER CA C 21 54.779 54.779 54.669 0.110 19450
575 1 4 . 1 1 21 21 SER CB C 21 63.040 63.040 63.859 -0.819 19450
576 1 4 . 1 1 21 21 SER H H 21 8.372 8.372 8.484 -0.112 19450
577 1 4 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.551 -0.308 19450
578 1 4 . 1 1 22 22 PRO CA C 22 65.637 65.637 63.941 1.696 19450
579 1 4 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.361 -0.521 19450
580 1 4 . 1 1 23 23 LYS N N 23 121.196 121.196 118.837 2.359 19450
581 1 4 . 1 1 23 23 LYS HA H 23 4.126 4.126 3.983 0.143 19450
582 1 4 . 1 1 23 23 LYS CA C 23 59.531 59.531 59.104 0.427 19450
583 1 4 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.591 0.077 19450
584 1 4 . 1 1 23 23 LYS H H 23 8.225 8.225 8.617 -0.392 19450
585 1 4 . 1 1 24 24 TYR N N 24 120.716 120.716 113.850 6.866 19450
586 1 4 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.788 -0.464 19450
587 1 4 . 1 1 24 24 TYR CA C 24 55.347 55.347 59.062 -3.715 19450
588 1 4 . 1 1 24 24 TYR CB C 24 39.369 39.369 39.044 0.325 19450
589 1 4 . 1 1 24 24 TYR H H 24 8.318 8.318 7.450 0.868 19450
590 1 4 . 1 1 25 25 MET N N 25 117.494 117.494 119.486 -1.992 19450
591 1 4 . 1 1 25 25 MET HA H 25 4.344 4.344 4.633 -0.289 19450
592 1 4 . 1 1 25 25 MET CA C 25 56.843 56.843 56.185 0.657 19450
593 1 4 . 1 1 25 25 MET CB C 25 31.620 31.620 32.207 -0.587 19450
594 1 4 . 1 1 25 25 MET H H 25 8.636 8.636 7.703 0.933 19450
595 1 4 . 1 1 26 26 GLY N N 26 104.942 104.942 105.968 -1.026 19450
596 1 4 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.408 -1.493 19450
597 1 4 . 1 1 26 26 GLY H H 26 8.290 8.290 8.203 0.087 19450
598 1 4 . 1 1 27 27 HIS N N 27 115.046 115.046 117.651 -2.605 19450
599 1 4 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.545 0.021 19450
600 1 4 . 1 1 27 27 HIS CA C 27 56.626 56.626 56.940 -0.314 19450
601 1 4 . 1 1 27 27 HIS CB C 27 29.875 29.875 30.103 -0.228 19450
602 1 4 . 1 1 27 27 HIS H H 27 7.206 7.206 8.336 -1.130 19450
603 1 4 . 1 1 28 28 TYR N N 28 114.431 114.431 116.355 -1.924 19450
604 1 4 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.678 -0.367 19450
605 1 4 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.136 1.313 19450
606 1 4 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.354 -1.692 19450
607 1 4 . 1 1 28 28 TYR H H 28 8.199 8.199 7.727 0.472 19450
608 1 4 . 1 1 29 29 CYS N N 29 119.776 119.776 119.862 -0.086 19450
609 1 4 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.869 1.137 19450
610 1 4 . 1 1 29 29 CYS CA C 29 51.384 51.384 58.364 -6.979 19450
611 1 4 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.540 9.515 19450
612 1 4 . 1 1 29 29 CYS H H 29 8.466 8.466 9.002 -0.536 19450
613 1 4 . 1 1 30 30 LYS N N 30 119.011 119.011 125.447 -6.436 19450
614 1 4 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.252 -0.658 19450
615 1 4 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.470 2.774 19450
616 1 4 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.669 1.571 19450
617 1 4 . 1 1 30 30 LYS H H 30 8.872 8.872 8.682 0.190 19450
618 1 4 . 1 1 31 31 LYS N N 31 117.963 117.963 120.157 -2.194 19450
619 1 4 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.895 0.133 19450
620 1 4 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.375 -0.406 19450
621 1 4 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.655 0.670 19450
622 1 4 . 1 1 31 31 LYS H H 31 7.183 7.183 8.434 -1.251 19450
623 1 4 . 1 1 32 32 ALA N N 32 129.495 129.495 119.591 9.904 19450
624 1 4 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.277 -0.163 19450
625 1 4 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.317 1.828 19450
626 1 4 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.575 -0.483 19450
627 1 4 . 1 1 32 32 ALA H H 32 11.370 11.370 8.296 3.074 19450
628 1 4 . 1 1 33 33 CYS N N 33 109.017 109.017 115.724 -6.707 19450
629 1 4 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.677 0.218 19450
630 1 4 . 1 1 33 33 CYS CA C 33 54.274 54.274 57.997 -3.723 19450
631 1 4 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.422 7.371 19450
632 1 4 . 1 1 33 33 CYS H H 33 7.904 7.904 7.432 0.472 19450
633 1 4 . 1 1 34 34 GLY N N 34 110.854 110.854 109.806 1.048 19450
634 1 4 . 1 1 34 34 GLY CA C 34 47.128 47.128 46.564 0.564 19450
635 1 4 . 1 1 34 34 GLY H H 34 8.130 8.130 8.717 -0.587 19450
636 1 4 . 1 1 35 35 LEU N N 35 118.448 118.448 119.411 -0.963 19450
637 1 4 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.268 0.230 19450
638 1 4 . 1 1 35 35 LEU CA C 35 54.259 54.259 55.956 -1.697 19450
639 1 4 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.057 -0.189 19450
640 1 4 . 1 1 35 35 LEU H H 35 8.601 8.601 7.511 1.090 19450
641 1 5 . 1 1 2 2 CYS N N 2 126.377 126.377 123.013 3.364 19450
642 1 5 . 1 1 2 2 CYS CB C 2 38.890 38.890 27.389 11.501 19450
643 1 5 . 1 1 2 2 CYS H H 2 9.029 9.029 8.407 0.622 19450
644 1 5 . 1 1 3 3 GLU N N 3 124.885 124.885 122.286 2.599 19450
645 1 5 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.363 0.343 19450
646 1 5 . 1 1 3 3 GLU CA C 3 55.882 55.882 54.969 0.913 19450
647 1 5 . 1 1 3 3 GLU CB C 3 32.564 32.564 32.626 -0.062 19450
648 1 5 . 1 1 3 3 GLU H H 3 8.376 8.376 8.441 -0.065 19450
649 1 5 . 1 1 4 4 ASP N N 4 121.930 121.930 120.688 1.242 19450
650 1 5 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.609 0.539 19450
651 1 5 . 1 1 4 4 ASP CA C 4 55.056 55.056 54.436 0.620 19450
652 1 5 . 1 1 4 4 ASP CB C 4 43.228 43.228 40.639 2.589 19450
653 1 5 . 1 1 4 4 ASP H H 4 8.876 8.876 8.701 0.175 19450
654 1 5 . 1 1 5 5 LEU N N 5 119.092 119.092 122.074 -2.982 19450
655 1 5 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.370 0.330 19450
656 1 5 . 1 1 5 5 LEU CA C 5 54.430 54.430 55.135 -0.705 19450
657 1 5 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.555 0.806 19450
658 1 5 . 1 1 5 5 LEU H H 5 9.373 9.373 8.546 0.827 19450
659 1 5 . 1 1 6 6 ASN N N 6 117.782 117.782 117.898 -0.116 19450
660 1 5 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.895 0.023 19450
661 1 5 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.549 0.468 19450
662 1 5 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.991 1.924 19450
663 1 5 . 1 1 6 6 ASN H H 6 7.398 7.398 7.611 -0.213 19450
664 1 5 . 1 1 7 7 ALA N N 7 130.815 130.815 127.493 3.322 19450
665 1 5 . 1 1 7 7 ALA HA H 7 4.152 4.152 4.101 0.051 19450
666 1 5 . 1 1 7 7 ALA CA C 7 54.108 54.108 53.724 0.384 19450
667 1 5 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.700 -0.330 19450
668 1 5 . 1 1 7 7 ALA H H 7 9.016 9.016 8.844 0.172 19450
669 1 5 . 1 1 8 8 HIS N N 8 114.507 114.507 113.887 0.620 19450
670 1 5 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.424 -0.089 19450
671 1 5 . 1 1 8 8 HIS CA C 8 62.017 62.017 56.054 5.963 19450
672 1 5 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.982 -3.386 19450
673 1 5 . 1 1 8 8 HIS H H 8 9.346 9.346 8.406 0.940 19450
674 1 5 . 1 1 9 9 CYS N N 9 116.419 116.419 119.261 -2.842 19450
675 1 5 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.848 0.586 19450
676 1 5 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.356 -3.567 19450
677 1 5 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.669 10.263 19450
678 1 5 . 1 1 9 9 CYS H H 9 7.505 7.505 7.539 -0.034 19450
679 1 5 . 1 1 10 10 GLU N N 10 119.951 119.951 118.908 1.043 19450
680 1 5 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.920 0.162 19450
681 1 5 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.810 0.367 19450
682 1 5 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.324 -1.177 19450
683 1 5 . 1 1 10 10 GLU H H 10 8.848 8.848 8.410 0.438 19450
684 1 5 . 1 1 11 11 MET N N 11 121.293 121.293 116.986 4.307 19450
685 1 5 . 1 1 11 11 MET HA H 11 4.107 4.107 4.305 -0.198 19450
686 1 5 . 1 1 11 11 MET CA C 11 58.574 58.574 58.009 0.565 19450
687 1 5 . 1 1 11 11 MET CB C 11 31.841 31.841 31.221 0.620 19450
688 1 5 . 1 1 11 11 MET H H 11 7.920 7.920 7.987 -0.067 19450
689 1 5 . 1 1 12 12 TRP N N 12 118.764 118.764 118.897 -0.133 19450
690 1 5 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.922 0.323 19450
691 1 5 . 1 1 12 12 TRP CA C 12 58.110 58.110 56.262 1.848 19450
692 1 5 . 1 1 12 12 TRP CB C 12 28.680 28.680 27.834 0.847 19450
693 1 5 . 1 1 12 12 TRP H H 12 8.383 8.383 8.071 0.312 19450
694 1 5 . 1 1 13 13 GLN N N 13 123.583 123.583 119.807 3.776 19450
695 1 5 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.165 0.070 19450
696 1 5 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.612 0.599 19450
697 1 5 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.845 -0.956 19450
698 1 5 . 1 1 13 13 GLN H H 13 9.051 9.051 8.876 0.175 19450
699 1 5 . 1 1 14 14 GLN N N 14 114.111 114.111 120.530 -6.419 19450
700 1 5 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.162 -0.187 19450
701 1 5 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.366 0.569 19450
702 1 5 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.252 -0.253 19450
703 1 5 . 1 1 14 14 GLN H H 14 8.359 8.359 8.430 -0.071 19450
704 1 5 . 1 1 15 15 LEU N N 15 117.658 117.658 118.540 -0.882 19450
705 1 5 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.584 -0.113 19450
706 1 5 . 1 1 15 15 LEU CA C 15 54.794 54.794 54.813 -0.019 19450
707 1 5 . 1 1 15 15 LEU CB C 15 43.107 43.107 42.066 1.041 19450
708 1 5 . 1 1 15 15 LEU H H 15 7.553 7.553 7.453 0.100 19450
709 1 5 . 1 1 16 16 GLY N N 16 106.380 106.380 106.364 0.016 19450
710 1 5 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.556 0.704 19450
711 1 5 . 1 1 16 16 GLY H H 16 7.859 7.859 8.000 -0.141 19450
712 1 5 . 1 1 17 17 HIS N N 17 116.016 116.016 119.935 -3.919 19450
713 1 5 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.259 -0.026 19450
714 1 5 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.301 -1.389 19450
715 1 5 . 1 1 17 17 HIS CB C 17 29.782 29.782 30.025 -0.243 19450
716 1 5 . 1 1 17 17 HIS H H 17 8.606 8.606 9.065 -0.459 19450
717 1 5 . 1 1 18 18 CYS N N 18 119.185 119.185 116.432 2.753 19450
718 1 5 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.498 -0.478 19450
719 1 5 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.652 -2.247 19450
720 1 5 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.651 11.286 19450
721 1 5 . 1 1 18 18 CYS H H 18 9.681 9.681 8.699 0.982 19450
722 1 5 . 1 1 19 19 GLN N N 19 114.091 114.091 118.754 -4.663 19450
723 1 5 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.048 0.236 19450
724 1 5 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.410 -0.862 19450
725 1 5 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.747 -0.005 19450
726 1 5 . 1 1 19 19 GLN H H 19 7.173 7.173 7.865 -0.692 19450
727 1 5 . 1 1 20 20 TYR N N 20 116.340 116.340 115.403 0.937 19450
728 1 5 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.639 -0.006 19450
729 1 5 . 1 1 20 20 TYR CA C 20 58.801 58.801 59.388 -0.587 19450
730 1 5 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.959 -0.985 19450
731 1 5 . 1 1 20 20 TYR H H 20 7.442 7.442 8.390 -0.948 19450
732 1 5 . 1 1 21 21 SER N N 21 123.873 123.873 114.312 9.561 19450
733 1 5 . 1 1 21 21 SER HA H 21 4.933 4.933 5.064 -0.131 19450
734 1 5 . 1 1 21 21 SER CA C 21 54.779 54.779 54.828 -0.049 19450
735 1 5 . 1 1 21 21 SER CB C 21 63.040 63.040 63.549 -0.509 19450
736 1 5 . 1 1 21 21 SER H H 21 8.372 8.372 8.549 -0.177 19450
737 1 5 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.578 -0.335 19450
738 1 5 . 1 1 22 22 PRO CA C 22 65.637 65.637 64.006 1.631 19450
739 1 5 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.221 -0.382 19450
740 1 5 . 1 1 23 23 LYS N N 23 121.196 121.196 119.406 1.790 19450
741 1 5 . 1 1 23 23 LYS HA H 23 4.126 4.126 3.986 0.140 19450
742 1 5 . 1 1 23 23 LYS CA C 23 59.531 59.531 58.910 0.620 19450
743 1 5 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.809 -0.141 19450
744 1 5 . 1 1 23 23 LYS H H 23 8.225 8.225 8.541 -0.316 19450
745 1 5 . 1 1 24 24 TYR N N 24 120.716 120.716 113.939 6.777 19450
746 1 5 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.782 -0.458 19450
747 1 5 . 1 1 24 24 TYR CA C 24 55.347 55.347 58.977 -3.630 19450
748 1 5 . 1 1 24 24 TYR CB C 24 39.369 39.369 39.175 0.194 19450
749 1 5 . 1 1 24 24 TYR H H 24 8.318 8.318 7.519 0.799 19450
750 1 5 . 1 1 25 25 MET N N 25 117.494 117.494 118.584 -1.090 19450
751 1 5 . 1 1 25 25 MET HA H 25 4.344 4.344 4.749 -0.405 19450
752 1 5 . 1 1 25 25 MET CA C 25 56.843 56.843 55.800 1.042 19450
753 1 5 . 1 1 25 25 MET CB C 25 31.620 31.620 32.734 -1.114 19450
754 1 5 . 1 1 25 25 MET H H 25 8.636 8.636 7.709 0.927 19450
755 1 5 . 1 1 26 26 GLY N N 26 104.942 104.942 106.354 -1.412 19450
756 1 5 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.288 -1.373 19450
757 1 5 . 1 1 26 26 GLY H H 26 8.290 8.290 8.263 0.027 19450
758 1 5 . 1 1 27 27 HIS N N 27 115.046 115.046 117.453 -2.407 19450
759 1 5 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.534 0.032 19450
760 1 5 . 1 1 27 27 HIS CA C 27 56.626 56.626 57.386 -0.760 19450
761 1 5 . 1 1 27 27 HIS CB C 27 29.875 29.875 30.199 -0.324 19450
762 1 5 . 1 1 27 27 HIS H H 27 7.206 7.206 8.509 -1.303 19450
763 1 5 . 1 1 28 28 TYR N N 28 114.431 114.431 116.123 -1.692 19450
764 1 5 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.687 -0.376 19450
765 1 5 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.158 1.290 19450
766 1 5 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.423 -1.761 19450
767 1 5 . 1 1 28 28 TYR H H 28 8.199 8.199 7.752 0.447 19450
768 1 5 . 1 1 29 29 CYS N N 29 119.776 119.776 119.258 0.518 19450
769 1 5 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.813 1.193 19450
770 1 5 . 1 1 29 29 CYS CA C 29 51.384 51.384 57.943 -6.559 19450
771 1 5 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.363 9.692 19450
772 1 5 . 1 1 29 29 CYS H H 29 8.466 8.466 9.145 -0.679 19450
773 1 5 . 1 1 30 30 LYS N N 30 119.011 119.011 125.482 -6.471 19450
774 1 5 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.261 -0.667 19450
775 1 5 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.466 2.778 19450
776 1 5 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.740 1.500 19450
777 1 5 . 1 1 30 30 LYS H H 30 8.872 8.872 7.948 0.924 19450
778 1 5 . 1 1 31 31 LYS N N 31 117.963 117.963 120.222 -2.259 19450
779 1 5 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.893 0.135 19450
780 1 5 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.346 -0.377 19450
781 1 5 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.655 0.670 19450
782 1 5 . 1 1 31 31 LYS H H 31 7.183 7.183 8.457 -1.274 19450
783 1 5 . 1 1 32 32 ALA N N 32 129.495 129.495 119.467 10.028 19450
784 1 5 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.237 -0.123 19450
785 1 5 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.745 1.400 19450
786 1 5 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.610 -0.519 19450
787 1 5 . 1 1 32 32 ALA H H 32 11.370 11.370 8.303 3.067 19450
788 1 5 . 1 1 33 33 CYS N N 33 109.017 109.017 115.264 -6.247 19450
789 1 5 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.634 0.261 19450
790 1 5 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.044 -3.770 19450
791 1 5 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.242 7.551 19450
792 1 5 . 1 1 33 33 CYS H H 33 7.904 7.904 7.151 0.753 19450
793 1 5 . 1 1 34 34 GLY N N 34 110.854 110.854 110.401 0.453 19450
794 1 5 . 1 1 34 34 GLY CA C 34 47.128 47.128 46.079 1.049 19450
795 1 5 . 1 1 34 34 GLY H H 34 8.130 8.130 8.786 -0.656 19450
796 1 5 . 1 1 35 35 LEU N N 35 118.448 118.448 119.002 -0.554 19450
797 1 5 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.544 -0.046 19450
798 1 5 . 1 1 35 35 LEU CA C 35 54.259 54.259 55.584 -1.325 19450
799 1 5 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.919 -1.051 19450
800 1 5 . 1 1 35 35 LEU H H 35 8.601 8.601 7.834 0.767 19450
801 1 6 . 1 1 2 2 CYS N N 2 126.377 126.377 121.256 5.121 19450
802 1 6 . 1 1 2 2 CYS CB C 2 38.890 38.890 27.072 11.818 19450
803 1 6 . 1 1 2 2 CYS H H 2 9.029 9.029 8.389 0.640 19450
804 1 6 . 1 1 3 3 GLU N N 3 124.885 124.885 123.182 1.703 19450
805 1 6 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.313 0.393 19450
806 1 6 . 1 1 3 3 GLU CA C 3 55.882 55.882 55.009 0.873 19450
807 1 6 . 1 1 3 3 GLU CB C 3 32.564 32.564 32.514 0.050 19450
808 1 6 . 1 1 3 3 GLU H H 3 8.376 8.376 8.377 -0.001 19450
809 1 6 . 1 1 4 4 ASP N N 4 121.930 121.930 120.002 1.928 19450
810 1 6 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.669 0.479 19450
811 1 6 . 1 1 4 4 ASP CA C 4 55.056 55.056 54.378 0.678 19450
812 1 6 . 1 1 4 4 ASP CB C 4 43.228 43.228 40.313 2.914 19450
813 1 6 . 1 1 4 4 ASP H H 4 8.876 8.876 8.494 0.382 19450
814 1 6 . 1 1 5 5 LEU N N 5 119.092 119.092 123.214 -4.122 19450
815 1 6 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.164 0.536 19450
816 1 6 . 1 1 5 5 LEU CA C 5 54.430 54.430 56.812 -2.382 19450
817 1 6 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.186 1.175 19450
818 1 6 . 1 1 5 5 LEU H H 5 9.373 9.373 8.910 0.463 19450
819 1 6 . 1 1 6 6 ASN N N 6 117.782 117.782 116.376 1.406 19450
820 1 6 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.818 0.100 19450
821 1 6 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.552 0.465 19450
822 1 6 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.622 2.293 19450
823 1 6 . 1 1 6 6 ASN H H 6 7.398 7.398 7.578 -0.180 19450
824 1 6 . 1 1 7 7 ALA N N 7 130.815 130.815 126.394 4.421 19450
825 1 6 . 1 1 7 7 ALA HA H 7 4.152 4.152 4.097 0.055 19450
826 1 6 . 1 1 7 7 ALA CA C 7 54.108 54.108 54.049 0.059 19450
827 1 6 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.548 -0.178 19450
828 1 6 . 1 1 7 7 ALA H H 7 9.016 9.016 8.583 0.433 19450
829 1 6 . 1 1 8 8 HIS N N 8 114.507 114.507 115.068 -0.561 19450
830 1 6 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.258 0.077 19450
831 1 6 . 1 1 8 8 HIS CA C 8 62.017 62.017 55.324 6.693 19450
832 1 6 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.646 -3.050 19450
833 1 6 . 1 1 8 8 HIS H H 8 9.346 9.346 7.874 1.472 19450
834 1 6 . 1 1 9 9 CYS N N 9 116.419 116.419 119.059 -2.640 19450
835 1 6 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.870 0.564 19450
836 1 6 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.177 -3.388 19450
837 1 6 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.377 10.555 19450
838 1 6 . 1 1 9 9 CYS H H 9 7.505 7.505 7.610 -0.105 19450
839 1 6 . 1 1 10 10 GLU N N 10 119.951 119.951 119.147 0.804 19450
840 1 6 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.928 0.154 19450
841 1 6 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.610 0.567 19450
842 1 6 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.276 -1.129 19450
843 1 6 . 1 1 10 10 GLU H H 10 8.848 8.848 8.205 0.643 19450
844 1 6 . 1 1 11 11 MET N N 11 121.293 121.293 117.378 3.915 19450
845 1 6 . 1 1 11 11 MET HA H 11 4.107 4.107 4.229 -0.122 19450
846 1 6 . 1 1 11 11 MET CA C 11 58.574 58.574 58.749 -0.175 19450
847 1 6 . 1 1 11 11 MET CB C 11 31.841 31.841 32.134 -0.293 19450
848 1 6 . 1 1 11 11 MET H H 11 7.920 7.920 7.947 -0.027 19450
849 1 6 . 1 1 12 12 TRP N N 12 118.764 118.764 118.056 0.708 19450
850 1 6 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.948 0.297 19450
851 1 6 . 1 1 12 12 TRP CA C 12 58.110 58.110 56.302 1.808 19450
852 1 6 . 1 1 12 12 TRP CB C 12 28.680 28.680 28.177 0.503 19450
853 1 6 . 1 1 12 12 TRP H H 12 8.383 8.383 7.907 0.476 19450
854 1 6 . 1 1 13 13 GLN N N 13 123.583 123.583 119.812 3.771 19450
855 1 6 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.154 0.081 19450
856 1 6 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.607 0.604 19450
857 1 6 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.756 -0.867 19450
858 1 6 . 1 1 13 13 GLN H H 13 9.051 9.051 8.924 0.127 19450
859 1 6 . 1 1 14 14 GLN N N 14 114.111 114.111 120.175 -6.064 19450
860 1 6 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.157 -0.182 19450
861 1 6 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.302 0.633 19450
862 1 6 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.279 -0.280 19450
863 1 6 . 1 1 14 14 GLN H H 14 8.359 8.359 8.343 0.016 19450
864 1 6 . 1 1 15 15 LEU N N 15 117.658 117.658 116.794 0.864 19450
865 1 6 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.562 -0.091 19450
866 1 6 . 1 1 15 15 LEU CA C 15 54.794 54.794 54.727 0.067 19450
867 1 6 . 1 1 15 15 LEU CB C 15 43.107 43.107 42.292 0.815 19450
868 1 6 . 1 1 15 15 LEU H H 15 7.553 7.553 7.372 0.180 19450
869 1 6 . 1 1 16 16 GLY N N 16 106.380 106.380 104.834 1.546 19450
870 1 6 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.373 0.887 19450
871 1 6 . 1 1 16 16 GLY H H 16 7.859 7.859 7.930 -0.071 19450
872 1 6 . 1 1 17 17 HIS N N 17 116.016 116.016 119.899 -3.883 19450
873 1 6 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.301 -0.068 19450
874 1 6 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.260 -1.348 19450
875 1 6 . 1 1 17 17 HIS CB C 17 29.782 29.782 30.034 -0.252 19450
876 1 6 . 1 1 17 17 HIS H H 17 8.606 8.606 9.098 -0.492 19450
877 1 6 . 1 1 18 18 CYS N N 18 119.185 119.185 115.327 3.858 19450
878 1 6 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.431 -0.411 19450
879 1 6 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.525 -2.120 19450
880 1 6 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.639 11.298 19450
881 1 6 . 1 1 18 18 CYS H H 18 9.681 9.681 8.573 1.108 19450
882 1 6 . 1 1 19 19 GLN N N 19 114.091 114.091 118.488 -4.397 19450
883 1 6 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.028 0.256 19450
884 1 6 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.381 -0.833 19450
885 1 6 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.643 0.099 19450
886 1 6 . 1 1 19 19 GLN H H 19 7.173 7.173 7.741 -0.568 19450
887 1 6 . 1 1 20 20 TYR N N 20 116.340 116.340 115.705 0.635 19450
888 1 6 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.651 -0.018 19450
889 1 6 . 1 1 20 20 TYR CA C 20 58.801 58.801 59.153 -0.352 19450
890 1 6 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.825 -0.851 19450
891 1 6 . 1 1 20 20 TYR H H 20 7.442 7.442 8.444 -1.002 19450
892 1 6 . 1 1 21 21 SER N N 21 123.873 123.873 114.622 9.251 19450
893 1 6 . 1 1 21 21 SER HA H 21 4.933 4.933 5.051 -0.118 19450
894 1 6 . 1 1 21 21 SER CA C 21 54.779 54.779 54.715 0.064 19450
895 1 6 . 1 1 21 21 SER CB C 21 63.040 63.040 63.649 -0.609 19450
896 1 6 . 1 1 21 21 SER H H 21 8.372 8.372 8.396 -0.024 19450
897 1 6 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.580 -0.337 19450
898 1 6 . 1 1 22 22 PRO CA C 22 65.637 65.637 64.015 1.622 19450
899 1 6 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.166 -0.326 19450
900 1 6 . 1 1 23 23 LYS N N 23 121.196 121.196 119.508 1.688 19450
901 1 6 . 1 1 23 23 LYS HA H 23 4.126 4.126 3.962 0.164 19450
902 1 6 . 1 1 23 23 LYS CA C 23 59.531 59.531 58.851 0.680 19450
903 1 6 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.760 -0.092 19450
904 1 6 . 1 1 23 23 LYS H H 23 8.225 8.225 8.550 -0.325 19450
905 1 6 . 1 1 24 24 TYR N N 24 120.716 120.716 113.653 7.063 19450
906 1 6 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.823 -0.499 19450
907 1 6 . 1 1 24 24 TYR CA C 24 55.347 55.347 58.803 -3.456 19450
908 1 6 . 1 1 24 24 TYR CB C 24 39.369 39.369 39.250 0.119 19450
909 1 6 . 1 1 24 24 TYR H H 24 8.318 8.318 7.505 0.813 19450
910 1 6 . 1 1 25 25 MET N N 25 117.494 117.494 119.218 -1.724 19450
911 1 6 . 1 1 25 25 MET HA H 25 4.344 4.344 4.678 -0.334 19450
912 1 6 . 1 1 25 25 MET CA C 25 56.843 56.843 56.086 0.757 19450
913 1 6 . 1 1 25 25 MET CB C 25 31.620 31.620 32.418 -0.798 19450
914 1 6 . 1 1 25 25 MET H H 25 8.636 8.636 7.712 0.924 19450
915 1 6 . 1 1 26 26 GLY N N 26 104.942 104.942 106.073 -1.131 19450
916 1 6 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.489 -1.574 19450
917 1 6 . 1 1 26 26 GLY H H 26 8.290 8.290 8.265 0.025 19450
918 1 6 . 1 1 27 27 HIS N N 27 115.046 115.046 117.531 -2.485 19450
919 1 6 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.562 0.004 19450
920 1 6 . 1 1 27 27 HIS CA C 27 56.626 56.626 56.847 -0.222 19450
921 1 6 . 1 1 27 27 HIS CB C 27 29.875 29.875 30.055 -0.180 19450
922 1 6 . 1 1 27 27 HIS H H 27 7.206 7.206 8.331 -1.125 19450
923 1 6 . 1 1 28 28 TYR N N 28 114.431 114.431 116.382 -1.951 19450
924 1 6 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.598 -0.287 19450
925 1 6 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.251 1.198 19450
926 1 6 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.136 -1.474 19450
927 1 6 . 1 1 28 28 TYR H H 28 8.199 8.199 7.726 0.473 19450
928 1 6 . 1 1 29 29 CYS N N 29 119.776 119.776 119.875 -0.099 19450
929 1 6 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.905 1.101 19450
930 1 6 . 1 1 29 29 CYS CA C 29 51.384 51.384 58.362 -6.978 19450
931 1 6 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.723 9.332 19450
932 1 6 . 1 1 29 29 CYS H H 29 8.466 8.466 9.155 -0.689 19450
933 1 6 . 1 1 30 30 LYS N N 30 119.011 119.011 125.424 -6.413 19450
934 1 6 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.262 -0.668 19450
935 1 6 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.404 2.840 19450
936 1 6 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.636 1.604 19450
937 1 6 . 1 1 30 30 LYS H H 30 8.872 8.872 8.695 0.177 19450
938 1 6 . 1 1 31 31 LYS N N 31 117.963 117.963 120.386 -2.423 19450
939 1 6 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.873 0.155 19450
940 1 6 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.302 -0.333 19450
941 1 6 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.667 0.658 19450
942 1 6 . 1 1 31 31 LYS H H 31 7.183 7.183 8.436 -1.253 19450
943 1 6 . 1 1 32 32 ALA N N 32 129.495 129.495 120.233 9.262 19450
944 1 6 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.265 -0.151 19450
945 1 6 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.646 1.499 19450
946 1 6 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.619 -0.527 19450
947 1 6 . 1 1 32 32 ALA H H 32 11.370 11.370 8.316 3.054 19450
948 1 6 . 1 1 33 33 CYS N N 33 109.017 109.017 115.432 -6.415 19450
949 1 6 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.626 0.269 19450
950 1 6 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.110 -3.836 19450
951 1 6 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.409 7.384 19450
952 1 6 . 1 1 33 33 CYS H H 33 7.904 7.904 7.181 0.723 19450
953 1 6 . 1 1 34 34 GLY N N 34 110.854 110.854 109.918 0.936 19450
954 1 6 . 1 1 34 34 GLY CA C 34 47.128 47.128 46.045 1.083 19450
955 1 6 . 1 1 34 34 GLY H H 34 8.130 8.130 8.796 -0.666 19450
956 1 6 . 1 1 35 35 LEU N N 35 118.448 118.448 118.752 -0.304 19450
957 1 6 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.572 -0.074 19450
958 1 6 . 1 1 35 35 LEU CA C 35 54.259 54.259 55.352 -1.093 19450
959 1 6 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.794 -0.926 19450
960 1 6 . 1 1 35 35 LEU H H 35 8.601 8.601 7.324 1.277 19450
961 1 7 . 1 1 2 2 CYS N N 2 126.377 126.377 123.171 3.206 19450
962 1 7 . 1 1 2 2 CYS CB C 2 38.890 38.890 27.824 11.066 19450
963 1 7 . 1 1 2 2 CYS H H 2 9.029 9.029 8.484 0.545 19450
964 1 7 . 1 1 3 3 GLU N N 3 124.885 124.885 122.754 2.131 19450
965 1 7 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.345 0.361 19450
966 1 7 . 1 1 3 3 GLU CA C 3 55.882 55.882 55.110 0.772 19450
967 1 7 . 1 1 3 3 GLU CB C 3 32.564 32.564 32.355 0.209 19450
968 1 7 . 1 1 3 3 GLU H H 3 8.376 8.376 8.351 0.025 19450
969 1 7 . 1 1 4 4 ASP N N 4 121.930 121.930 119.870 2.060 19450
970 1 7 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.648 0.500 19450
971 1 7 . 1 1 4 4 ASP CA C 4 55.056 55.056 54.675 0.381 19450
972 1 7 . 1 1 4 4 ASP CB C 4 43.228 43.228 40.929 2.299 19450
973 1 7 . 1 1 4 4 ASP H H 4 8.876 8.876 8.687 0.189 19450
974 1 7 . 1 1 5 5 LEU N N 5 119.092 119.092 120.998 -1.906 19450
975 1 7 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.411 0.289 19450
976 1 7 . 1 1 5 5 LEU CA C 5 54.430 54.430 55.145 -0.715 19450
977 1 7 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.752 0.609 19450
978 1 7 . 1 1 5 5 LEU H H 5 9.373 9.373 8.167 1.206 19450
979 1 7 . 1 1 6 6 ASN N N 6 117.782 117.782 117.317 0.465 19450
980 1 7 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.925 -0.007 19450
981 1 7 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.486 0.531 19450
982 1 7 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.584 2.332 19450
983 1 7 . 1 1 6 6 ASN H H 6 7.398 7.398 7.589 -0.191 19450
984 1 7 . 1 1 7 7 ALA N N 7 130.815 130.815 126.518 4.297 19450
985 1 7 . 1 1 7 7 ALA HA H 7 4.152 4.152 4.017 0.135 19450
986 1 7 . 1 1 7 7 ALA CA C 7 54.108 54.108 54.136 -0.028 19450
987 1 7 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.419 -0.049 19450
988 1 7 . 1 1 7 7 ALA H H 7 9.016 9.016 8.797 0.219 19450
989 1 7 . 1 1 8 8 HIS N N 8 114.507 114.507 114.934 -0.427 19450
990 1 7 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.295 0.040 19450
991 1 7 . 1 1 8 8 HIS CA C 8 62.017 62.017 56.211 5.806 19450
992 1 7 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.639 -3.043 19450
993 1 7 . 1 1 8 8 HIS H H 8 9.346 9.346 8.076 1.270 19450
994 1 7 . 1 1 9 9 CYS N N 9 116.419 116.419 119.298 -2.879 19450
995 1 7 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.835 0.599 19450
996 1 7 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.279 -3.490 19450
997 1 7 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.475 10.457 19450
998 1 7 . 1 1 9 9 CYS H H 9 7.505 7.505 7.834 -0.329 19450
999 1 7 . 1 1 10 10 GLU N N 10 119.951 119.951 119.019 0.932 19450
1000 1 7 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.947 0.135 19450
1001 1 7 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.623 0.554 19450
1002 1 7 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.314 -1.167 19450
1003 1 7 . 1 1 10 10 GLU H H 10 8.848 8.848 8.194 0.654 19450
1004 1 7 . 1 1 11 11 MET N N 11 121.293 121.293 117.085 4.208 19450
1005 1 7 . 1 1 11 11 MET HA H 11 4.107 4.107 4.302 -0.195 19450
1006 1 7 . 1 1 11 11 MET CA C 11 58.574 58.574 57.870 0.704 19450
1007 1 7 . 1 1 11 11 MET CB C 11 31.841 31.841 31.288 0.553 19450
1008 1 7 . 1 1 11 11 MET H H 11 7.920 7.920 7.972 -0.052 19450
1009 1 7 . 1 1 12 12 TRP N N 12 118.764 118.764 118.425 0.339 19450
1010 1 7 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.911 0.334 19450
1011 1 7 . 1 1 12 12 TRP CA C 12 58.110 58.110 56.604 1.506 19450
1012 1 7 . 1 1 12 12 TRP CB C 12 28.680 28.680 27.897 0.783 19450
1013 1 7 . 1 1 12 12 TRP H H 12 8.383 8.383 8.059 0.324 19450
1014 1 7 . 1 1 13 13 GLN N N 13 123.583 123.583 120.297 3.286 19450
1015 1 7 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.078 0.157 19450
1016 1 7 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.674 0.537 19450
1017 1 7 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.735 -0.846 19450
1018 1 7 . 1 1 13 13 GLN H H 13 9.051 9.051 8.682 0.368 19450
1019 1 7 . 1 1 14 14 GLN N N 14 114.111 114.111 118.391 -4.280 19450
1020 1 7 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.162 -0.187 19450
1021 1 7 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.087 0.849 19450
1022 1 7 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.441 -0.442 19450
1023 1 7 . 1 1 14 14 GLN H H 14 8.359 8.359 8.242 0.117 19450
1024 1 7 . 1 1 15 15 LEU N N 15 117.658 117.658 118.667 -1.009 19450
1025 1 7 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.611 -0.140 19450
1026 1 7 . 1 1 15 15 LEU CA C 15 54.794 54.794 54.826 -0.032 19450
1027 1 7 . 1 1 15 15 LEU CB C 15 43.107 43.107 42.560 0.547 19450
1028 1 7 . 1 1 15 15 LEU H H 15 7.553 7.553 7.584 -0.031 19450
1029 1 7 . 1 1 16 16 GLY N N 16 106.380 106.380 106.173 0.207 19450
1030 1 7 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.440 0.820 19450
1031 1 7 . 1 1 16 16 GLY H H 16 7.859 7.859 7.954 -0.095 19450
1032 1 7 . 1 1 17 17 HIS N N 17 116.016 116.016 119.659 -3.643 19450
1033 1 7 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.328 -0.095 19450
1034 1 7 . 1 1 17 17 HIS CA C 17 58.912 58.912 59.981 -1.069 19450
1035 1 7 . 1 1 17 17 HIS CB C 17 29.782 29.782 30.027 -0.245 19450
1036 1 7 . 1 1 17 17 HIS H H 17 8.606 8.606 9.048 -0.442 19450
1037 1 7 . 1 1 18 18 CYS N N 18 119.185 119.185 115.581 3.604 19450
1038 1 7 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.482 -0.462 19450
1039 1 7 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.466 -2.061 19450
1040 1 7 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.708 11.229 19450
1041 1 7 . 1 1 18 18 CYS H H 18 9.681 9.681 8.588 1.093 19450
1042 1 7 . 1 1 19 19 GLN N N 19 114.091 114.091 118.808 -4.717 19450
1043 1 7 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.035 0.249 19450
1044 1 7 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.470 -0.922 19450
1045 1 7 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.721 0.021 19450
1046 1 7 . 1 1 19 19 GLN H H 19 7.173 7.173 7.827 -0.654 19450
1047 1 7 . 1 1 20 20 TYR N N 20 116.340 116.340 114.889 1.451 19450
1048 1 7 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.655 -0.022 19450
1049 1 7 . 1 1 20 20 TYR CA C 20 58.801 58.801 59.265 -0.464 19450
1050 1 7 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.926 -0.952 19450
1051 1 7 . 1 1 20 20 TYR H H 20 7.442 7.442 8.563 -1.121 19450
1052 1 7 . 1 1 21 21 SER N N 21 123.873 123.873 114.545 9.328 19450
1053 1 7 . 1 1 21 21 SER HA H 21 4.933 4.933 5.117 -0.184 19450
1054 1 7 . 1 1 21 21 SER CA C 21 54.779 54.779 55.020 -0.241 19450
1055 1 7 . 1 1 21 21 SER CB C 21 63.040 63.040 63.649 -0.609 19450
1056 1 7 . 1 1 21 21 SER H H 21 8.372 8.372 8.442 -0.070 19450
1057 1 7 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.598 -0.355 19450
1058 1 7 . 1 1 22 22 PRO CA C 22 65.637 65.637 64.216 1.421 19450
1059 1 7 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.261 -0.421 19450
1060 1 7 . 1 1 23 23 LYS N N 23 121.196 121.196 118.936 2.260 19450
1061 1 7 . 1 1 23 23 LYS HA H 23 4.126 4.126 3.975 0.151 19450
1062 1 7 . 1 1 23 23 LYS CA C 23 59.531 59.531 58.772 0.759 19450
1063 1 7 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.778 -0.110 19450
1064 1 7 . 1 1 23 23 LYS H H 23 8.225 8.225 8.587 -0.362 19450
1065 1 7 . 1 1 24 24 TYR N N 24 120.716 120.716 113.971 6.745 19450
1066 1 7 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.798 -0.474 19450
1067 1 7 . 1 1 24 24 TYR CA C 24 55.347 55.347 58.917 -3.570 19450
1068 1 7 . 1 1 24 24 TYR CB C 24 39.369 39.369 39.249 0.120 19450
1069 1 7 . 1 1 24 24 TYR H H 24 8.318 8.318 7.498 0.820 19450
1070 1 7 . 1 1 25 25 MET N N 25 117.494 117.494 118.885 -1.391 19450
1071 1 7 . 1 1 25 25 MET HA H 25 4.344 4.344 4.686 -0.342 19450
1072 1 7 . 1 1 25 25 MET CA C 25 56.843 56.843 55.855 0.988 19450
1073 1 7 . 1 1 25 25 MET CB C 25 31.620 31.620 32.569 -0.949 19450
1074 1 7 . 1 1 25 25 MET H H 25 8.636 8.636 7.913 0.723 19450
1075 1 7 . 1 1 26 26 GLY N N 26 104.942 104.942 106.411 -1.469 19450
1076 1 7 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.294 -1.379 19450
1077 1 7 . 1 1 26 26 GLY H H 26 8.290 8.290 8.078 0.212 19450
1078 1 7 . 1 1 27 27 HIS N N 27 115.046 115.046 117.293 -2.247 19450
1079 1 7 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.500 0.066 19450
1080 1 7 . 1 1 27 27 HIS CA C 27 56.626 56.626 57.241 -0.615 19450
1081 1 7 . 1 1 27 27 HIS CB C 27 29.875 29.875 29.781 0.094 19450
1082 1 7 . 1 1 27 27 HIS H H 27 7.206 7.206 8.405 -1.199 19450
1083 1 7 . 1 1 28 28 TYR N N 28 114.431 114.431 116.479 -2.048 19450
1084 1 7 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.659 -0.348 19450
1085 1 7 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.221 1.228 19450
1086 1 7 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.375 -1.713 19450
1087 1 7 . 1 1 28 28 TYR H H 28 8.199 8.199 7.729 0.470 19450
1088 1 7 . 1 1 29 29 CYS N N 29 119.776 119.776 119.522 0.254 19450
1089 1 7 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.851 1.155 19450
1090 1 7 . 1 1 29 29 CYS CA C 29 51.384 51.384 58.272 -6.888 19450
1091 1 7 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.629 9.426 19450
1092 1 7 . 1 1 29 29 CYS H H 29 8.466 8.466 9.057 -0.591 19450
1093 1 7 . 1 1 30 30 LYS N N 30 119.011 119.011 124.938 -5.927 19450
1094 1 7 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.234 -0.640 19450
1095 1 7 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.635 2.609 19450
1096 1 7 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.572 1.668 19450
1097 1 7 . 1 1 30 30 LYS H H 30 8.872 8.872 8.722 0.150 19450
1098 1 7 . 1 1 31 31 LYS N N 31 117.963 117.963 120.234 -2.271 19450
1099 1 7 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.875 0.153 19450
1100 1 7 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.380 -0.411 19450
1101 1 7 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.637 0.689 19450
1102 1 7 . 1 1 31 31 LYS H H 31 7.183 7.183 8.429 -1.246 19450
1103 1 7 . 1 1 32 32 ALA N N 32 129.495 129.495 119.582 9.913 19450
1104 1 7 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.266 -0.152 19450
1105 1 7 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.353 1.792 19450
1106 1 7 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.548 -0.456 19450
1107 1 7 . 1 1 32 32 ALA H H 32 11.370 11.370 8.296 3.074 19450
1108 1 7 . 1 1 33 33 CYS N N 33 109.017 109.017 115.632 -6.615 19450
1109 1 7 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.588 0.307 19450
1110 1 7 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.497 -4.223 19450
1111 1 7 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.927 6.866 19450
1112 1 7 . 1 1 33 33 CYS H H 33 7.904 7.904 7.478 0.426 19450
1113 1 7 . 1 1 34 34 GLY N N 34 110.854 110.854 110.475 0.379 19450
1114 1 7 . 1 1 34 34 GLY CA C 34 47.128 47.128 46.625 0.503 19450
1115 1 7 . 1 1 34 34 GLY H H 34 8.130 8.130 8.849 -0.719 19450
1116 1 7 . 1 1 35 35 LEU N N 35 118.448 118.448 119.454 -1.006 19450
1117 1 7 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.325 0.173 19450
1118 1 7 . 1 1 35 35 LEU CA C 35 54.259 54.259 55.888 -1.629 19450
1119 1 7 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.478 -0.610 19450
1120 1 7 . 1 1 35 35 LEU H H 35 8.601 8.601 7.788 0.813 19450
1121 1 8 . 1 1 2 2 CYS N N 2 126.377 126.377 121.283 5.094 19450
1122 1 8 . 1 1 2 2 CYS CB C 2 38.890 38.890 27.731 11.159 19450
1123 1 8 . 1 1 2 2 CYS H H 2 9.029 9.029 8.271 0.758 19450
1124 1 8 . 1 1 3 3 GLU N N 3 124.885 124.885 122.610 2.275 19450
1125 1 8 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.316 0.390 19450
1126 1 8 . 1 1 3 3 GLU CA C 3 55.882 55.882 55.200 0.682 19450
1127 1 8 . 1 1 3 3 GLU CB C 3 32.564 32.564 32.296 0.268 19450
1128 1 8 . 1 1 3 3 GLU H H 3 8.376 8.376 8.396 -0.020 19450
1129 1 8 . 1 1 4 4 ASP N N 4 121.930 121.930 120.339 1.591 19450
1130 1 8 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.655 0.492 19450
1131 1 8 . 1 1 4 4 ASP CA C 4 55.056 55.056 54.581 0.475 19450
1132 1 8 . 1 1 4 4 ASP CB C 4 43.228 43.228 40.125 3.103 19450
1133 1 8 . 1 1 4 4 ASP H H 4 8.876 8.876 8.645 0.231 19450
1134 1 8 . 1 1 5 5 LEU N N 5 119.092 119.092 123.084 -3.992 19450
1135 1 8 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.200 0.500 19450
1136 1 8 . 1 1 5 5 LEU CA C 5 54.430 54.430 56.648 -2.218 19450
1137 1 8 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.286 1.075 19450
1138 1 8 . 1 1 5 5 LEU H H 5 9.373 9.373 8.790 0.583 19450
1139 1 8 . 1 1 6 6 ASN N N 6 117.782 117.782 116.453 1.329 19450
1140 1 8 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.840 0.078 19450
1141 1 8 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.513 0.504 19450
1142 1 8 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.498 2.417 19450
1143 1 8 . 1 1 6 6 ASN H H 6 7.398 7.398 7.606 -0.208 19450
1144 1 8 . 1 1 7 7 ALA N N 7 130.815 130.815 127.144 3.671 19450
1145 1 8 . 1 1 7 7 ALA HA H 7 4.152 4.152 3.992 0.160 19450
1146 1 8 . 1 1 7 7 ALA CA C 7 54.108 54.108 54.344 -0.236 19450
1147 1 8 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.506 -0.136 19450
1148 1 8 . 1 1 7 7 ALA H H 7 9.016 9.016 8.670 0.346 19450
1149 1 8 . 1 1 8 8 HIS N N 8 114.507 114.507 115.494 -0.987 19450
1150 1 8 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.182 0.153 19450
1151 1 8 . 1 1 8 8 HIS CA C 8 62.017 62.017 55.413 6.604 19450
1152 1 8 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.330 -2.734 19450
1153 1 8 . 1 1 8 8 HIS H H 8 9.346 9.346 7.930 1.416 19450
1154 1 8 . 1 1 9 9 CYS N N 9 116.419 116.419 119.208 -2.789 19450
1155 1 8 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.871 0.563 19450
1156 1 8 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.153 -3.364 19450
1157 1 8 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.253 10.679 19450
1158 1 8 . 1 1 9 9 CYS H H 9 7.505 7.505 7.901 -0.396 19450
1159 1 8 . 1 1 10 10 GLU N N 10 119.951 119.951 119.270 0.681 19450
1160 1 8 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.909 0.173 19450
1161 1 8 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.640 0.537 19450
1162 1 8 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.272 -1.125 19450
1163 1 8 . 1 1 10 10 GLU H H 10 8.848 8.848 7.992 0.856 19450
1164 1 8 . 1 1 11 11 MET N N 11 121.293 121.293 117.462 3.831 19450
1165 1 8 . 1 1 11 11 MET HA H 11 4.107 4.107 4.202 -0.095 19450
1166 1 8 . 1 1 11 11 MET CA C 11 58.574 58.574 58.802 -0.228 19450
1167 1 8 . 1 1 11 11 MET CB C 11 31.841 31.841 32.152 -0.311 19450
1168 1 8 . 1 1 11 11 MET H H 11 7.920 7.920 7.946 -0.026 19450
1169 1 8 . 1 1 12 12 TRP N N 12 118.764 118.764 118.299 0.465 19450
1170 1 8 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.870 0.375 19450
1171 1 8 . 1 1 12 12 TRP CA C 12 58.110 58.110 56.205 1.905 19450
1172 1 8 . 1 1 12 12 TRP CB C 12 28.680 28.680 28.037 0.643 19450
1173 1 8 . 1 1 12 12 TRP H H 12 8.383 8.383 7.875 0.508 19450
1174 1 8 . 1 1 13 13 GLN N N 13 123.583 123.583 119.813 3.770 19450
1175 1 8 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.175 0.060 19450
1176 1 8 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.548 0.663 19450
1177 1 8 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.846 -0.957 19450
1178 1 8 . 1 1 13 13 GLN H H 13 9.051 9.051 8.811 0.240 19450
1179 1 8 . 1 1 14 14 GLN N N 14 114.111 114.111 120.743 -6.632 19450
1180 1 8 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.149 -0.174 19450
1181 1 8 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.382 0.553 19450
1182 1 8 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.211 -0.212 19450
1183 1 8 . 1 1 14 14 GLN H H 14 8.359 8.359 8.401 -0.042 19450
1184 1 8 . 1 1 15 15 LEU N N 15 117.658 117.658 116.506 1.152 19450
1185 1 8 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.528 -0.057 19450
1186 1 8 . 1 1 15 15 LEU CA C 15 54.794 54.794 54.697 0.097 19450
1187 1 8 . 1 1 15 15 LEU CB C 15 43.107 43.107 42.023 1.084 19450
1188 1 8 . 1 1 15 15 LEU H H 15 7.553 7.553 7.329 0.224 19450
1189 1 8 . 1 1 16 16 GLY N N 16 106.380 106.380 104.812 1.568 19450
1190 1 8 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.429 0.831 19450
1191 1 8 . 1 1 16 16 GLY H H 16 7.859 7.859 7.861 -0.002 19450
1192 1 8 . 1 1 17 17 HIS N N 17 116.016 116.016 119.942 -3.926 19450
1193 1 8 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.285 -0.052 19450
1194 1 8 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.282 -1.370 19450
1195 1 8 . 1 1 17 17 HIS CB C 17 29.782 29.782 30.032 -0.250 19450
1196 1 8 . 1 1 17 17 HIS H H 17 8.606 8.606 9.181 -0.575 19450
1197 1 8 . 1 1 18 18 CYS N N 18 119.185 119.185 116.074 3.111 19450
1198 1 8 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.500 -0.480 19450
1199 1 8 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.414 -2.009 19450
1200 1 8 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.778 11.159 19450
1201 1 8 . 1 1 18 18 CYS H H 18 9.681 9.681 8.657 1.024 19450
1202 1 8 . 1 1 19 19 GLN N N 19 114.091 114.091 118.026 -3.935 19450
1203 1 8 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.077 0.207 19450
1204 1 8 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.138 -0.590 19450
1205 1 8 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.611 0.131 19450
1206 1 8 . 1 1 19 19 GLN H H 19 7.173 7.173 7.695 -0.522 19450
1207 1 8 . 1 1 20 20 TYR N N 20 116.340 116.340 115.560 0.780 19450
1208 1 8 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.609 0.024 19450
1209 1 8 . 1 1 20 20 TYR CA C 20 58.801 58.801 59.702 -0.901 19450
1210 1 8 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.945 -0.971 19450
1211 1 8 . 1 1 20 20 TYR H H 20 7.442 7.442 8.473 -1.031 19450
1212 1 8 . 1 1 21 21 SER N N 21 123.873 123.873 113.229 10.644 19450
1213 1 8 . 1 1 21 21 SER HA H 21 4.933 4.933 5.082 -0.149 19450
1214 1 8 . 1 1 21 21 SER CA C 21 54.779 54.779 54.531 0.248 19450
1215 1 8 . 1 1 21 21 SER CB C 21 63.040 63.040 63.705 -0.665 19450
1216 1 8 . 1 1 21 21 SER H H 21 8.372 8.372 8.382 -0.010 19450
1217 1 8 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.584 -0.341 19450
1218 1 8 . 1 1 22 22 PRO CA C 22 65.637 65.637 64.177 1.460 19450
1219 1 8 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.427 -0.587 19450
1220 1 8 . 1 1 23 23 LYS N N 23 121.196 121.196 118.642 2.554 19450
1221 1 8 . 1 1 23 23 LYS HA H 23 4.126 4.126 3.998 0.128 19450
1222 1 8 . 1 1 23 23 LYS CA C 23 59.531 59.531 59.056 0.475 19450
1223 1 8 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.593 0.075 19450
1224 1 8 . 1 1 23 23 LYS H H 23 8.225 8.225 8.669 -0.444 19450
1225 1 8 . 1 1 24 24 TYR N N 24 120.716 120.716 113.663 7.053 19450
1226 1 8 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.793 -0.469 19450
1227 1 8 . 1 1 24 24 TYR CA C 24 55.347 55.347 58.922 -3.575 19450
1228 1 8 . 1 1 24 24 TYR CB C 24 39.369 39.369 39.144 0.225 19450
1229 1 8 . 1 1 24 24 TYR H H 24 8.318 8.318 7.514 0.804 19450
1230 1 8 . 1 1 25 25 MET N N 25 117.494 117.494 118.994 -1.500 19450
1231 1 8 . 1 1 25 25 MET HA H 25 4.344 4.344 4.658 -0.314 19450
1232 1 8 . 1 1 25 25 MET CA C 25 56.843 56.843 55.846 0.997 19450
1233 1 8 . 1 1 25 25 MET CB C 25 31.620 31.620 32.500 -0.880 19450
1234 1 8 . 1 1 25 25 MET H H 25 8.636 8.636 7.707 0.929 19450
1235 1 8 . 1 1 26 26 GLY N N 26 104.942 104.942 106.110 -1.168 19450
1236 1 8 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.467 -1.552 19450
1237 1 8 . 1 1 26 26 GLY H H 26 8.290 8.290 8.217 0.073 19450
1238 1 8 . 1 1 27 27 HIS N N 27 115.046 115.046 117.661 -2.615 19450
1239 1 8 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.554 0.012 19450
1240 1 8 . 1 1 27 27 HIS CA C 27 56.626 56.626 56.894 -0.268 19450
1241 1 8 . 1 1 27 27 HIS CB C 27 29.875 29.875 30.017 -0.142 19450
1242 1 8 . 1 1 27 27 HIS H H 27 7.206 7.206 8.351 -1.145 19450
1243 1 8 . 1 1 28 28 TYR N N 28 114.431 114.431 116.291 -1.860 19450
1244 1 8 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.643 -0.332 19450
1245 1 8 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.177 1.272 19450
1246 1 8 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.399 -1.737 19450
1247 1 8 . 1 1 28 28 TYR H H 28 8.199 8.199 7.752 0.447 19450
1248 1 8 . 1 1 29 29 CYS N N 29 119.776 119.776 119.924 -0.148 19450
1249 1 8 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.921 1.085 19450
1250 1 8 . 1 1 29 29 CYS CA C 29 51.384 51.384 58.433 -7.049 19450
1251 1 8 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.532 9.523 19450
1252 1 8 . 1 1 29 29 CYS H H 29 8.466 8.466 9.055 -0.589 19450
1253 1 8 . 1 1 30 30 LYS N N 30 119.011 119.011 125.464 -6.453 19450
1254 1 8 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.256 -0.662 19450
1255 1 8 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.450 2.794 19450
1256 1 8 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.636 1.604 19450
1257 1 8 . 1 1 30 30 LYS H H 30 8.872 8.872 8.683 0.189 19450
1258 1 8 . 1 1 31 31 LYS N N 31 117.963 117.963 120.292 -2.329 19450
1259 1 8 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.880 0.148 19450
1260 1 8 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.323 -0.354 19450
1261 1 8 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.675 0.650 19450
1262 1 8 . 1 1 31 31 LYS H H 31 7.183 7.183 8.447 -1.264 19450
1263 1 8 . 1 1 32 32 ALA N N 32 129.495 129.495 120.188 9.307 19450
1264 1 8 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.271 -0.157 19450
1265 1 8 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.651 1.494 19450
1266 1 8 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.611 -0.519 19450
1267 1 8 . 1 1 32 32 ALA H H 32 11.370 11.370 8.318 3.052 19450
1268 1 8 . 1 1 33 33 CYS N N 33 109.017 109.017 115.484 -6.467 19450
1269 1 8 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.551 0.344 19450
1270 1 8 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.436 -4.162 19450
1271 1 8 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.515 7.278 19450
1272 1 8 . 1 1 33 33 CYS H H 33 7.904 7.904 7.182 0.722 19450
1273 1 8 . 1 1 34 34 GLY N N 34 110.854 110.854 110.329 0.525 19450
1274 1 8 . 1 1 34 34 GLY CA C 34 47.128 47.128 46.152 0.976 19450
1275 1 8 . 1 1 34 34 GLY H H 34 8.130 8.130 8.787 -0.657 19450
1276 1 8 . 1 1 35 35 LEU N N 35 118.448 118.448 118.889 -0.441 19450
1277 1 8 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.569 -0.071 19450
1278 1 8 . 1 1 35 35 LEU CA C 35 54.259 54.259 55.535 -1.276 19450
1279 1 8 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.994 -1.126 19450
1280 1 8 . 1 1 35 35 LEU H H 35 8.601 8.601 7.818 0.783 19450
1281 1 9 . 1 1 2 2 CYS N N 2 126.377 126.377 123.898 2.479 19450
1282 1 9 . 1 1 2 2 CYS CB C 2 38.890 38.890 26.799 12.091 19450
1283 1 9 . 1 1 2 2 CYS H H 2 9.029 9.029 8.655 0.374 19450
1284 1 9 . 1 1 3 3 GLU N N 3 124.885 124.885 122.036 2.849 19450
1285 1 9 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.357 0.349 19450
1286 1 9 . 1 1 3 3 GLU CA C 3 55.882 55.882 54.993 0.888 19450
1287 1 9 . 1 1 3 3 GLU CB C 3 32.564 32.564 32.548 0.016 19450
1288 1 9 . 1 1 3 3 GLU H H 3 8.376 8.376 8.401 -0.025 19450
1289 1 9 . 1 1 4 4 ASP N N 4 121.930 121.930 120.556 1.374 19450
1290 1 9 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.727 0.421 19450
1291 1 9 . 1 1 4 4 ASP CA C 4 55.056 55.056 54.336 0.720 19450
1292 1 9 . 1 1 4 4 ASP CB C 4 43.228 43.228 40.647 2.582 19450
1293 1 9 . 1 1 4 4 ASP H H 4 8.876 8.876 8.682 0.194 19450
1294 1 9 . 1 1 5 5 LEU N N 5 119.092 119.092 122.141 -3.049 19450
1295 1 9 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.348 0.352 19450
1296 1 9 . 1 1 5 5 LEU CA C 5 54.430 54.430 55.194 -0.764 19450
1297 1 9 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.529 0.832 19450
1298 1 9 . 1 1 5 5 LEU H H 5 9.373 9.373 8.533 0.840 19450
1299 1 9 . 1 1 6 6 ASN N N 6 117.782 117.782 117.814 -0.032 19450
1300 1 9 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.790 0.128 19450
1301 1 9 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.485 0.532 19450
1302 1 9 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.869 2.046 19450
1303 1 9 . 1 1 6 6 ASN H H 6 7.398 7.398 7.582 -0.184 19450
1304 1 9 . 1 1 7 7 ALA N N 7 130.815 130.815 127.927 2.888 19450
1305 1 9 . 1 1 7 7 ALA HA H 7 4.152 4.152 4.086 0.066 19450
1306 1 9 . 1 1 7 7 ALA CA C 7 54.108 54.108 53.854 0.254 19450
1307 1 9 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.692 -0.321 19450
1308 1 9 . 1 1 7 7 ALA H H 7 9.016 9.016 8.705 0.311 19450
1309 1 9 . 1 1 8 8 HIS N N 8 114.507 114.507 114.500 0.007 19450
1310 1 9 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.322 0.013 19450
1311 1 9 . 1 1 8 8 HIS CA C 8 62.017 62.017 54.642 7.375 19450
1312 1 9 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.611 -3.015 19450
1313 1 9 . 1 1 8 8 HIS H H 8 9.346 9.346 7.512 1.834 19450
1314 1 9 . 1 1 9 9 CYS N N 9 116.419 116.419 119.303 -2.884 19450
1315 1 9 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.897 0.537 19450
1316 1 9 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.422 -3.633 19450
1317 1 9 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.448 10.484 19450
1318 1 9 . 1 1 9 9 CYS H H 9 7.505 7.505 7.870 -0.365 19450
1319 1 9 . 1 1 10 10 GLU N N 10 119.951 119.951 119.058 0.893 19450
1320 1 9 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.910 0.172 19450
1321 1 9 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.701 0.476 19450
1322 1 9 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.268 -1.121 19450
1323 1 9 . 1 1 10 10 GLU H H 10 8.848 8.848 8.318 0.530 19450
1324 1 9 . 1 1 11 11 MET N N 11 121.293 121.293 117.554 3.739 19450
1325 1 9 . 1 1 11 11 MET HA H 11 4.107 4.107 4.203 -0.096 19450
1326 1 9 . 1 1 11 11 MET CA C 11 58.574 58.574 58.819 -0.245 19450
1327 1 9 . 1 1 11 11 MET CB C 11 31.841 31.841 32.159 -0.318 19450
1328 1 9 . 1 1 11 11 MET H H 11 7.920 7.920 7.984 -0.064 19450
1329 1 9 . 1 1 12 12 TRP N N 12 118.764 118.764 118.536 0.228 19450
1330 1 9 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.901 0.344 19450
1331 1 9 . 1 1 12 12 TRP CA C 12 58.110 58.110 56.348 1.762 19450
1332 1 9 . 1 1 12 12 TRP CB C 12 28.680 28.680 28.025 0.655 19450
1333 1 9 . 1 1 12 12 TRP H H 12 8.383 8.383 8.139 0.244 19450
1334 1 9 . 1 1 13 13 GLN N N 13 123.583 123.583 119.794 3.789 19450
1335 1 9 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.149 0.086 19450
1336 1 9 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.575 0.635 19450
1337 1 9 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.800 -0.911 19450
1338 1 9 . 1 1 13 13 GLN H H 13 9.051 9.051 8.916 0.135 19450
1339 1 9 . 1 1 14 14 GLN N N 14 114.111 114.111 120.688 -6.577 19450
1340 1 9 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.150 -0.175 19450
1341 1 9 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.374 0.561 19450
1342 1 9 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.229 -0.230 19450
1343 1 9 . 1 1 14 14 GLN H H 14 8.359 8.359 8.480 -0.121 19450
1344 1 9 . 1 1 15 15 LEU N N 15 117.658 117.658 118.512 -0.854 19450
1345 1 9 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.592 -0.121 19450
1346 1 9 . 1 1 15 15 LEU CA C 15 54.794 54.794 54.865 -0.071 19450
1347 1 9 . 1 1 15 15 LEU CB C 15 43.107 43.107 41.970 1.137 19450
1348 1 9 . 1 1 15 15 LEU H H 15 7.553 7.553 7.448 0.105 19450
1349 1 9 . 1 1 16 16 GLY N N 16 106.380 106.380 106.424 -0.044 19450
1350 1 9 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.521 0.739 19450
1351 1 9 . 1 1 16 16 GLY H H 16 7.859 7.859 8.006 -0.147 19450
1352 1 9 . 1 1 17 17 HIS N N 17 116.016 116.016 119.797 -3.781 19450
1353 1 9 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.307 -0.074 19450
1354 1 9 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.134 -1.222 19450
1355 1 9 . 1 1 17 17 HIS CB C 17 29.782 29.782 29.991 -0.209 19450
1356 1 9 . 1 1 17 17 HIS H H 17 8.606 8.606 9.180 -0.574 19450
1357 1 9 . 1 1 18 18 CYS N N 18 119.185 119.185 116.439 2.746 19450
1358 1 9 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.505 -0.485 19450
1359 1 9 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.628 -2.223 19450
1360 1 9 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.661 11.276 19450
1361 1 9 . 1 1 18 18 CYS H H 18 9.681 9.681 8.652 1.029 19450
1362 1 9 . 1 1 19 19 GLN N N 19 114.091 114.091 118.677 -4.586 19450
1363 1 9 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.047 0.237 19450
1364 1 9 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.326 -0.778 19450
1365 1 9 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.675 0.067 19450
1366 1 9 . 1 1 19 19 GLN H H 19 7.173 7.173 7.755 -0.582 19450
1367 1 9 . 1 1 20 20 TYR N N 20 116.340 116.340 116.040 0.300 19450
1368 1 9 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.667 -0.034 19450
1369 1 9 . 1 1 20 20 TYR CA C 20 58.801 58.801 59.051 -0.250 19450
1370 1 9 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.802 -0.828 19450
1371 1 9 . 1 1 20 20 TYR H H 20 7.442 7.442 8.229 -0.787 19450
1372 1 9 . 1 1 21 21 SER N N 21 123.873 123.873 115.071 8.802 19450
1373 1 9 . 1 1 21 21 SER HA H 21 4.933 4.933 5.082 -0.149 19450
1374 1 9 . 1 1 21 21 SER CA C 21 54.779 54.779 54.429 0.350 19450
1375 1 9 . 1 1 21 21 SER CB C 21 63.040 63.040 63.866 -0.826 19450
1376 1 9 . 1 1 21 21 SER H H 21 8.372 8.372 8.441 -0.069 19450
1377 1 9 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.588 -0.345 19450
1378 1 9 . 1 1 22 22 PRO CA C 22 65.637 65.637 64.157 1.480 19450
1379 1 9 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.299 -0.459 19450
1380 1 9 . 1 1 23 23 LYS N N 23 121.196 121.196 118.519 2.677 19450
1381 1 9 . 1 1 23 23 LYS HA H 23 4.126 4.126 3.998 0.128 19450
1382 1 9 . 1 1 23 23 LYS CA C 23 59.531 59.531 59.002 0.528 19450
1383 1 9 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.548 0.120 19450
1384 1 9 . 1 1 23 23 LYS H H 23 8.225 8.225 8.628 -0.403 19450
1385 1 9 . 1 1 24 24 TYR N N 24 120.716 120.716 113.483 7.233 19450
1386 1 9 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.796 -0.472 19450
1387 1 9 . 1 1 24 24 TYR CA C 24 55.347 55.347 58.869 -3.522 19450
1388 1 9 . 1 1 24 24 TYR CB C 24 39.369 39.369 39.225 0.144 19450
1389 1 9 . 1 1 24 24 TYR H H 24 8.318 8.318 7.453 0.865 19450
1390 1 9 . 1 1 25 25 MET N N 25 117.494 117.494 118.775 -1.281 19450
1391 1 9 . 1 1 25 25 MET HA H 25 4.344 4.344 4.752 -0.408 19450
1392 1 9 . 1 1 25 25 MET CA C 25 56.843 56.843 55.732 1.111 19450
1393 1 9 . 1 1 25 25 MET CB C 25 31.620 31.620 32.644 -1.024 19450
1394 1 9 . 1 1 25 25 MET H H 25 8.636 8.636 7.697 0.939 19450
1395 1 9 . 1 1 26 26 GLY N N 26 104.942 104.942 106.201 -1.259 19450
1396 1 9 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.436 -1.521 19450
1397 1 9 . 1 1 26 26 GLY H H 26 8.290 8.290 8.308 -0.018 19450
1398 1 9 . 1 1 27 27 HIS N N 27 115.046 115.046 117.577 -2.531 19450
1399 1 9 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.538 0.028 19450
1400 1 9 . 1 1 27 27 HIS CA C 27 56.626 56.626 56.899 -0.273 19450
1401 1 9 . 1 1 27 27 HIS CB C 27 29.875 29.875 30.094 -0.219 19450
1402 1 9 . 1 1 27 27 HIS H H 27 7.206 7.206 8.324 -1.118 19450
1403 1 9 . 1 1 28 28 TYR N N 28 114.431 114.431 116.120 -1.689 19450
1404 1 9 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.675 -0.364 19450
1405 1 9 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.101 1.348 19450
1406 1 9 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.398 -1.736 19450
1407 1 9 . 1 1 28 28 TYR H H 28 8.199 8.199 7.759 0.440 19450
1408 1 9 . 1 1 29 29 CYS N N 29 119.776 119.776 119.233 0.543 19450
1409 1 9 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.812 1.194 19450
1410 1 9 . 1 1 29 29 CYS CA C 29 51.384 51.384 57.937 -6.553 19450
1411 1 9 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.342 9.713 19450
1412 1 9 . 1 1 29 29 CYS H H 29 8.466 8.466 9.102 -0.636 19450
1413 1 9 . 1 1 30 30 LYS N N 30 119.011 119.011 125.417 -6.406 19450
1414 1 9 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.256 -0.662 19450
1415 1 9 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.284 2.960 19450
1416 1 9 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.681 1.558 19450
1417 1 9 . 1 1 30 30 LYS H H 30 8.872 8.872 7.995 0.877 19450
1418 1 9 . 1 1 31 31 LYS N N 31 117.963 117.963 120.155 -2.192 19450
1419 1 9 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.881 0.147 19450
1420 1 9 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.327 -0.358 19450
1421 1 9 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.709 0.616 19450
1422 1 9 . 1 1 31 31 LYS H H 31 7.183 7.183 8.441 -1.258 19450
1423 1 9 . 1 1 32 32 ALA N N 32 129.495 129.495 119.234 10.261 19450
1424 1 9 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.244 -0.130 19450
1425 1 9 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.664 1.481 19450
1426 1 9 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.666 -0.574 19450
1427 1 9 . 1 1 32 32 ALA H H 32 11.370 11.370 8.298 3.072 19450
1428 1 9 . 1 1 33 33 CYS N N 33 109.017 109.017 115.333 -6.316 19450
1429 1 9 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.539 0.356 19450
1430 1 9 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.410 -4.136 19450
1431 1 9 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.644 7.149 19450
1432 1 9 . 1 1 33 33 CYS H H 33 7.904 7.904 7.156 0.748 19450
1433 1 9 . 1 1 34 34 GLY N N 34 110.854 110.854 109.788 1.066 19450
1434 1 9 . 1 1 34 34 GLY CA C 34 47.128 47.128 46.056 1.072 19450
1435 1 9 . 1 1 34 34 GLY H H 34 8.130 8.130 8.777 -0.647 19450
1436 1 9 . 1 1 35 35 LEU N N 35 118.448 118.448 118.541 -0.093 19450
1437 1 9 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.574 -0.076 19450
1438 1 9 . 1 1 35 35 LEU CA C 35 54.259 54.259 55.404 -1.145 19450
1439 1 9 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.731 -0.863 19450
1440 1 9 . 1 1 35 35 LEU H H 35 8.601 8.601 7.269 1.332 19450
1441 1 10 . 1 1 2 2 CYS N N 2 126.377 126.377 121.125 5.252 19450
1442 1 10 . 1 1 2 2 CYS CB C 2 38.890 38.890 27.246 11.644 19450
1443 1 10 . 1 1 2 2 CYS H H 2 9.029 9.029 8.433 0.596 19450
1444 1 10 . 1 1 3 3 GLU N N 3 124.885 124.885 122.814 2.071 19450
1445 1 10 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.329 0.377 19450
1446 1 10 . 1 1 3 3 GLU CA C 3 55.882 55.882 55.208 0.674 19450
1447 1 10 . 1 1 3 3 GLU CB C 3 32.564 32.564 32.149 0.415 19450
1448 1 10 . 1 1 3 3 GLU H H 3 8.376 8.376 8.403 -0.027 19450
1449 1 10 . 1 1 4 4 ASP N N 4 121.930 121.930 119.992 1.938 19450
1450 1 10 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.663 0.485 19450
1451 1 10 . 1 1 4 4 ASP CA C 4 55.056 55.056 54.600 0.456 19450
1452 1 10 . 1 1 4 4 ASP CB C 4 43.228 43.228 40.980 2.248 19450
1453 1 10 . 1 1 4 4 ASP H H 4 8.876 8.876 8.684 0.192 19450
1454 1 10 . 1 1 5 5 LEU N N 5 119.092 119.092 121.350 -2.258 19450
1455 1 10 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.395 0.305 19450
1456 1 10 . 1 1 5 5 LEU CA C 5 54.430 54.430 54.962 -0.532 19450
1457 1 10 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.645 0.716 19450
1458 1 10 . 1 1 5 5 LEU H H 5 9.373 9.373 8.447 0.926 19450
1459 1 10 . 1 1 6 6 ASN N N 6 117.782 117.782 117.887 -0.105 19450
1460 1 10 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.806 0.112 19450
1461 1 10 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.482 0.535 19450
1462 1 10 . 1 1 6 6 ASN CB C 6 42.915 42.915 41.012 1.903 19450
1463 1 10 . 1 1 6 6 ASN H H 6 7.398 7.398 7.593 -0.195 19450
1464 1 10 . 1 1 7 7 ALA N N 7 130.815 130.815 127.690 3.125 19450
1465 1 10 . 1 1 7 7 ALA HA H 7 4.152 4.152 4.064 0.088 19450
1466 1 10 . 1 1 7 7 ALA CA C 7 54.108 54.108 53.895 0.214 19450
1467 1 10 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.748 -0.378 19450
1468 1 10 . 1 1 7 7 ALA H H 7 9.016 9.016 8.698 0.318 19450
1469 1 10 . 1 1 8 8 HIS N N 8 114.507 114.507 114.726 -0.219 19450
1470 1 10 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.273 0.062 19450
1471 1 10 . 1 1 8 8 HIS CA C 8 62.017 62.017 54.738 7.279 19450
1472 1 10 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.461 -2.865 19450
1473 1 10 . 1 1 8 8 HIS H H 8 9.346 9.346 7.725 1.621 19450
1474 1 10 . 1 1 9 9 CYS N N 9 116.419 116.419 119.387 -2.968 19450
1475 1 10 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.978 0.456 19450
1476 1 10 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.397 -3.608 19450
1477 1 10 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.393 10.539 19450
1478 1 10 . 1 1 9 9 CYS H H 9 7.505 7.505 7.882 -0.377 19450
1479 1 10 . 1 1 10 10 GLU N N 10 119.951 119.951 119.123 0.828 19450
1480 1 10 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.915 0.167 19450
1481 1 10 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.708 0.469 19450
1482 1 10 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.272 -1.125 19450
1483 1 10 . 1 1 10 10 GLU H H 10 8.848 8.848 8.242 0.606 19450
1484 1 10 . 1 1 11 11 MET N N 11 121.293 121.293 118.036 3.257 19450
1485 1 10 . 1 1 11 11 MET HA H 11 4.107 4.107 4.030 0.077 19450
1486 1 10 . 1 1 11 11 MET CA C 11 58.574 58.574 59.004 -0.430 19450
1487 1 10 . 1 1 11 11 MET CB C 11 31.841 31.841 32.141 -0.300 19450
1488 1 10 . 1 1 11 11 MET H H 11 7.920 7.920 7.933 -0.013 19450
1489 1 10 . 1 1 12 12 TRP N N 12 118.764 118.764 119.265 -0.501 19450
1490 1 10 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.437 0.808 19450
1491 1 10 . 1 1 12 12 TRP CA C 12 58.110 58.110 56.700 1.410 19450
1492 1 10 . 1 1 12 12 TRP CB C 12 28.680 28.680 27.761 0.919 19450
1493 1 10 . 1 1 12 12 TRP H H 12 8.383 8.383 8.358 0.025 19450
1494 1 10 . 1 1 13 13 GLN N N 13 123.583 123.583 119.495 4.088 19450
1495 1 10 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.134 0.101 19450
1496 1 10 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.579 0.632 19450
1497 1 10 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.888 -0.999 19450
1498 1 10 . 1 1 13 13 GLN H H 13 9.051 9.051 8.755 0.296 19450
1499 1 10 . 1 1 14 14 GLN N N 14 114.111 114.111 120.426 -6.315 19450
1500 1 10 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.161 -0.186 19450
1501 1 10 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.312 0.623 19450
1502 1 10 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.441 -0.442 19450
1503 1 10 . 1 1 14 14 GLN H H 14 8.359 8.359 8.475 -0.116 19450
1504 1 10 . 1 1 15 15 LEU N N 15 117.658 117.658 119.059 -1.401 19450
1505 1 10 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.522 -0.051 19450
1506 1 10 . 1 1 15 15 LEU CA C 15 54.794 54.794 55.072 -0.278 19450
1507 1 10 . 1 1 15 15 LEU CB C 15 43.107 43.107 42.384 0.723 19450
1508 1 10 . 1 1 15 15 LEU H H 15 7.553 7.553 7.708 -0.155 19450
1509 1 10 . 1 1 16 16 GLY N N 16 106.380 106.380 106.173 0.207 19450
1510 1 10 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.429 0.831 19450
1511 1 10 . 1 1 16 16 GLY H H 16 7.859 7.859 7.921 -0.062 19450
1512 1 10 . 1 1 17 17 HIS N N 17 116.016 116.016 119.585 -3.569 19450
1513 1 10 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.329 -0.096 19450
1514 1 10 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.076 -1.164 19450
1515 1 10 . 1 1 17 17 HIS CB C 17 29.782 29.782 30.027 -0.245 19450
1516 1 10 . 1 1 17 17 HIS H H 17 8.606 8.606 9.327 -0.721 19450
1517 1 10 . 1 1 18 18 CYS N N 18 119.185 119.185 115.675 3.510 19450
1518 1 10 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.416 -0.396 19450
1519 1 10 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.608 -2.203 19450
1520 1 10 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.570 11.367 19450
1521 1 10 . 1 1 18 18 CYS H H 18 9.681 9.681 8.570 1.111 19450
1522 1 10 . 1 1 19 19 GLN N N 19 114.091 114.091 118.511 -4.420 19450
1523 1 10 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.013 0.271 19450
1524 1 10 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.418 -0.870 19450
1525 1 10 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.574 0.168 19450
1526 1 10 . 1 1 19 19 GLN H H 19 7.173 7.173 7.757 -0.584 19450
1527 1 10 . 1 1 20 20 TYR N N 20 116.340 116.340 115.666 0.674 19450
1528 1 10 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.685 -0.052 19450
1529 1 10 . 1 1 20 20 TYR CA C 20 58.801 58.801 58.865 -0.064 19450
1530 1 10 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.918 -0.944 19450
1531 1 10 . 1 1 20 20 TYR H H 20 7.442 7.442 8.027 -0.585 19450
1532 1 10 . 1 1 21 21 SER N N 21 123.873 123.873 114.687 9.186 19450
1533 1 10 . 1 1 21 21 SER HA H 21 4.933 4.933 5.121 -0.188 19450
1534 1 10 . 1 1 21 21 SER CA C 21 54.779 54.779 54.180 0.599 19450
1535 1 10 . 1 1 21 21 SER CB C 21 63.040 63.040 63.861 -0.821 19450
1536 1 10 . 1 1 21 21 SER H H 21 8.372 8.372 8.553 -0.181 19450
1537 1 10 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.581 -0.338 19450
1538 1 10 . 1 1 22 22 PRO CA C 22 65.637 65.637 64.288 1.349 19450
1539 1 10 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.284 -0.444 19450
1540 1 10 . 1 1 23 23 LYS N N 23 121.196 121.196 118.676 2.520 19450
1541 1 10 . 1 1 23 23 LYS HA H 23 4.126 4.126 4.015 0.111 19450
1542 1 10 . 1 1 23 23 LYS CA C 23 59.531 59.531 59.136 0.395 19450
1543 1 10 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.722 -0.054 19450
1544 1 10 . 1 1 23 23 LYS H H 23 8.225 8.225 8.719 -0.494 19450
1545 1 10 . 1 1 24 24 TYR N N 24 120.716 120.716 114.034 6.682 19450
1546 1 10 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.841 -0.517 19450
1547 1 10 . 1 1 24 24 TYR CA C 24 55.347 55.347 58.897 -3.550 19450
1548 1 10 . 1 1 24 24 TYR CB C 24 39.369 39.369 38.974 0.395 19450
1549 1 10 . 1 1 24 24 TYR H H 24 8.318 8.318 7.629 0.689 19450
1550 1 10 . 1 1 25 25 MET N N 25 117.494 117.494 119.989 -2.495 19450
1551 1 10 . 1 1 25 25 MET HA H 25 4.344 4.344 4.577 -0.233 19450
1552 1 10 . 1 1 25 25 MET CA C 25 56.843 56.843 56.461 0.382 19450
1553 1 10 . 1 1 25 25 MET CB C 25 31.620 31.620 32.122 -0.502 19450
1554 1 10 . 1 1 25 25 MET H H 25 8.636 8.636 7.966 0.670 19450
1555 1 10 . 1 1 26 26 GLY N N 26 104.942 104.942 105.715 -0.773 19450
1556 1 10 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.462 -1.547 19450
1557 1 10 . 1 1 26 26 GLY H H 26 8.290 8.290 8.117 0.173 19450
1558 1 10 . 1 1 27 27 HIS N N 27 115.046 115.046 117.752 -2.706 19450
1559 1 10 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.544 0.022 19450
1560 1 10 . 1 1 27 27 HIS CA C 27 56.626 56.626 56.980 -0.354 19450
1561 1 10 . 1 1 27 27 HIS CB C 27 29.875 29.875 30.104 -0.229 19450
1562 1 10 . 1 1 27 27 HIS H H 27 7.206 7.206 8.337 -1.131 19450
1563 1 10 . 1 1 28 28 TYR N N 28 114.431 114.431 116.398 -1.967 19450
1564 1 10 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.663 -0.352 19450
1565 1 10 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.145 1.304 19450
1566 1 10 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.299 -1.637 19450
1567 1 10 . 1 1 28 28 TYR H H 28 8.199 8.199 7.712 0.487 19450
1568 1 10 . 1 1 29 29 CYS N N 29 119.776 119.776 119.744 0.032 19450
1569 1 10 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.871 1.135 19450
1570 1 10 . 1 1 29 29 CYS CA C 29 51.384 51.384 58.374 -6.990 19450
1571 1 10 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.637 9.418 19450
1572 1 10 . 1 1 29 29 CYS H H 29 8.466 8.466 9.029 -0.563 19450
1573 1 10 . 1 1 30 30 LYS N N 30 119.011 119.011 125.420 -6.409 19450
1574 1 10 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.262 -0.668 19450
1575 1 10 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.433 2.811 19450
1576 1 10 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.651 1.589 19450
1577 1 10 . 1 1 30 30 LYS H H 30 8.872 8.872 8.687 0.185 19450
1578 1 10 . 1 1 31 31 LYS N N 31 117.963 117.963 120.368 -2.405 19450
1579 1 10 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.870 0.158 19450
1580 1 10 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.318 -0.349 19450
1581 1 10 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.654 0.671 19450
1582 1 10 . 1 1 31 31 LYS H H 31 7.183 7.183 8.445 -1.262 19450
1583 1 10 . 1 1 32 32 ALA N N 32 129.495 129.495 120.032 9.463 19450
1584 1 10 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.272 -0.158 19450
1585 1 10 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.589 1.556 19450
1586 1 10 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.611 -0.519 19450
1587 1 10 . 1 1 32 32 ALA H H 32 11.370 11.370 8.320 3.050 19450
1588 1 10 . 1 1 33 33 CYS N N 33 109.017 109.017 115.365 -6.348 19450
1589 1 10 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.676 0.219 19450
1590 1 10 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.019 -3.745 19450
1591 1 10 . 1 1 33 33 CYS CB C 33 37.793 37.793 29.881 7.912 19450
1592 1 10 . 1 1 33 33 CYS H H 33 7.904 7.904 7.229 0.675 19450
1593 1 10 . 1 1 34 34 GLY N N 34 110.854 110.854 110.329 0.525 19450
1594 1 10 . 1 1 34 34 GLY CA C 34 47.128 47.128 46.160 0.968 19450
1595 1 10 . 1 1 34 34 GLY H H 34 8.130 8.130 8.788 -0.658 19450
1596 1 10 . 1 1 35 35 LEU N N 35 118.448 118.448 118.955 -0.507 19450
1597 1 10 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.554 -0.056 19450
1598 1 10 . 1 1 35 35 LEU CA C 35 54.259 54.259 55.578 -1.319 19450
1599 1 10 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.964 -1.096 19450
1600 1 10 . 1 1 35 35 LEU H H 35 8.601 8.601 7.785 0.816 19450
1601 1 11 . 1 1 2 2 CYS N N 2 126.377 126.377 122.760 3.617 19450
1602 1 11 . 1 1 2 2 CYS CB C 2 38.890 38.890 28.278 10.612 19450
1603 1 11 . 1 1 2 2 CYS H H 2 9.029 9.029 8.488 0.541 19450
1604 1 11 . 1 1 3 3 GLU N N 3 124.885 124.885 122.604 2.281 19450
1605 1 11 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.341 0.365 19450
1606 1 11 . 1 1 3 3 GLU CA C 3 55.882 55.882 55.112 0.770 19450
1607 1 11 . 1 1 3 3 GLU CB C 3 32.564 32.564 32.343 0.221 19450
1608 1 11 . 1 1 3 3 GLU H H 3 8.376 8.376 8.344 0.032 19450
1609 1 11 . 1 1 4 4 ASP N N 4 121.930 121.930 120.055 1.875 19450
1610 1 11 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.658 0.490 19450
1611 1 11 . 1 1 4 4 ASP CA C 4 55.056 55.056 54.718 0.338 19450
1612 1 11 . 1 1 4 4 ASP CB C 4 43.228 43.228 40.781 2.447 19450
1613 1 11 . 1 1 4 4 ASP H H 4 8.876 8.876 8.699 0.177 19450
1614 1 11 . 1 1 5 5 LEU N N 5 119.092 119.092 121.521 -2.429 19450
1615 1 11 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.408 0.292 19450
1616 1 11 . 1 1 5 5 LEU CA C 5 54.430 54.430 54.781 -0.351 19450
1617 1 11 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.688 0.673 19450
1618 1 11 . 1 1 5 5 LEU H H 5 9.373 9.373 8.348 1.025 19450
1619 1 11 . 1 1 6 6 ASN N N 6 117.782 117.782 118.089 -0.307 19450
1620 1 11 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.806 0.112 19450
1621 1 11 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.493 0.524 19450
1622 1 11 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.962 1.953 19450
1623 1 11 . 1 1 6 6 ASN H H 6 7.398 7.398 7.622 -0.224 19450
1624 1 11 . 1 1 7 7 ALA N N 7 130.815 130.815 127.782 3.033 19450
1625 1 11 . 1 1 7 7 ALA HA H 7 4.152 4.152 4.103 0.049 19450
1626 1 11 . 1 1 7 7 ALA CA C 7 54.108 54.108 53.860 0.248 19450
1627 1 11 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.677 -0.307 19450
1628 1 11 . 1 1 7 7 ALA H H 7 9.016 9.016 8.710 0.306 19450
1629 1 11 . 1 1 8 8 HIS N N 8 114.507 114.507 114.429 0.078 19450
1630 1 11 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.325 0.010 19450
1631 1 11 . 1 1 8 8 HIS CA C 8 62.017 62.017 54.606 7.411 19450
1632 1 11 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.614 -3.018 19450
1633 1 11 . 1 1 8 8 HIS H H 8 9.346 9.346 7.649 1.697 19450
1634 1 11 . 1 1 9 9 CYS N N 9 116.419 116.419 118.891 -2.472 19450
1635 1 11 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.927 0.507 19450
1636 1 11 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.257 -3.468 19450
1637 1 11 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.460 10.472 19450
1638 1 11 . 1 1 9 9 CYS H H 9 7.505 7.505 7.754 -0.249 19450
1639 1 11 . 1 1 10 10 GLU N N 10 119.951 119.951 118.704 1.247 19450
1640 1 11 . 1 1 10 10 GLU HA H 10 4.082 4.082 4.018 0.064 19450
1641 1 11 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.607 0.570 19450
1642 1 11 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.110 -0.964 19450
1643 1 11 . 1 1 10 10 GLU H H 10 8.848 8.848 8.445 0.403 19450
1644 1 11 . 1 1 11 11 MET N N 11 121.293 121.293 117.648 3.645 19450
1645 1 11 . 1 1 11 11 MET HA H 11 4.107 4.107 4.294 -0.187 19450
1646 1 11 . 1 1 11 11 MET CA C 11 58.574 58.574 58.003 0.571 19450
1647 1 11 . 1 1 11 11 MET CB C 11 31.841 31.841 31.252 0.589 19450
1648 1 11 . 1 1 11 11 MET H H 11 7.920 7.920 7.935 -0.015 19450
1649 1 11 . 1 1 12 12 TRP N N 12 118.764 118.764 118.647 0.117 19450
1650 1 11 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.919 0.326 19450
1651 1 11 . 1 1 12 12 TRP CA C 12 58.110 58.110 56.432 1.678 19450
1652 1 11 . 1 1 12 12 TRP CB C 12 28.680 28.680 27.938 0.742 19450
1653 1 11 . 1 1 12 12 TRP H H 12 8.383 8.383 8.106 0.277 19450
1654 1 11 . 1 1 13 13 GLN N N 13 123.583 123.583 119.680 3.903 19450
1655 1 11 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.151 0.084 19450
1656 1 11 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.553 0.657 19450
1657 1 11 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.795 -0.906 19450
1658 1 11 . 1 1 13 13 GLN H H 13 9.051 9.051 8.768 0.283 19450
1659 1 11 . 1 1 14 14 GLN N N 14 114.111 114.111 119.776 -5.665 19450
1660 1 11 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.155 -0.180 19450
1661 1 11 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.419 0.516 19450
1662 1 11 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.386 -0.387 19450
1663 1 11 . 1 1 14 14 GLN H H 14 8.359 8.359 8.349 0.010 19450
1664 1 11 . 1 1 15 15 LEU N N 15 117.658 117.658 118.281 -0.623 19450
1665 1 11 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.608 -0.137 19450
1666 1 11 . 1 1 15 15 LEU CA C 15 54.794 54.794 54.848 -0.054 19450
1667 1 11 . 1 1 15 15 LEU CB C 15 43.107 43.107 42.008 1.099 19450
1668 1 11 . 1 1 15 15 LEU H H 15 7.553 7.553 7.439 0.114 19450
1669 1 11 . 1 1 16 16 GLY N N 16 106.380 106.380 106.328 0.052 19450
1670 1 11 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.362 0.898 19450
1671 1 11 . 1 1 16 16 GLY H H 16 7.859 7.859 8.014 -0.155 19450
1672 1 11 . 1 1 17 17 HIS N N 17 116.016 116.016 120.010 -3.994 19450
1673 1 11 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.289 -0.056 19450
1674 1 11 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.165 -1.253 19450
1675 1 11 . 1 1 17 17 HIS CB C 17 29.782 29.782 29.998 -0.216 19450
1676 1 11 . 1 1 17 17 HIS H H 17 8.606 8.606 9.137 -0.531 19450
1677 1 11 . 1 1 18 18 CYS N N 18 119.185 119.185 116.335 2.850 19450
1678 1 11 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.483 -0.463 19450
1679 1 11 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.678 -2.273 19450
1680 1 11 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.536 11.401 19450
1681 1 11 . 1 1 18 18 CYS H H 18 9.681 9.681 8.642 1.039 19450
1682 1 11 . 1 1 19 19 GLN N N 19 114.091 114.091 118.521 -4.430 19450
1683 1 11 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.064 0.220 19450
1684 1 11 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.292 -0.744 19450
1685 1 11 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.702 0.040 19450
1686 1 11 . 1 1 19 19 GLN H H 19 7.173 7.173 7.686 -0.513 19450
1687 1 11 . 1 1 20 20 TYR N N 20 116.340 116.340 115.796 0.544 19450
1688 1 11 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.686 -0.053 19450
1689 1 11 . 1 1 20 20 TYR CA C 20 58.801 58.801 58.698 0.103 19450
1690 1 11 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.804 -0.830 19450
1691 1 11 . 1 1 20 20 TYR H H 20 7.442 7.442 8.311 -0.869 19450
1692 1 11 . 1 1 21 21 SER N N 21 123.873 123.873 115.303 8.570 19450
1693 1 11 . 1 1 21 21 SER HA H 21 4.933 4.933 5.071 -0.138 19450
1694 1 11 . 1 1 21 21 SER CA C 21 54.779 54.779 54.624 0.155 19450
1695 1 11 . 1 1 21 21 SER CB C 21 63.040 63.040 64.044 -1.004 19450
1696 1 11 . 1 1 21 21 SER H H 21 8.372 8.372 8.426 -0.054 19450
1697 1 11 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.526 -0.283 19450
1698 1 11 . 1 1 22 22 PRO CA C 22 65.637 65.637 64.125 1.512 19450
1699 1 11 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.059 -0.219 19450
1700 1 11 . 1 1 23 23 LYS N N 23 121.196 121.196 119.231 1.965 19450
1701 1 11 . 1 1 23 23 LYS HA H 23 4.126 4.126 3.953 0.173 19450
1702 1 11 . 1 1 23 23 LYS CA C 23 59.531 59.531 58.807 0.724 19450
1703 1 11 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.701 -0.033 19450
1704 1 11 . 1 1 23 23 LYS H H 23 8.225 8.225 8.483 -0.258 19450
1705 1 11 . 1 1 24 24 TYR N N 24 120.716 120.716 113.791 6.925 19450
1706 1 11 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.808 -0.484 19450
1707 1 11 . 1 1 24 24 TYR CA C 24 55.347 55.347 58.815 -3.468 19450
1708 1 11 . 1 1 24 24 TYR CB C 24 39.369 39.369 39.119 0.250 19450
1709 1 11 . 1 1 24 24 TYR H H 24 8.318 8.318 7.417 0.901 19450
1710 1 11 . 1 1 25 25 MET N N 25 117.494 117.494 118.955 -1.461 19450
1711 1 11 . 1 1 25 25 MET HA H 25 4.344 4.344 4.715 -0.371 19450
1712 1 11 . 1 1 25 25 MET CA C 25 56.843 56.843 55.749 1.094 19450
1713 1 11 . 1 1 25 25 MET CB C 25 31.620 31.620 32.544 -0.924 19450
1714 1 11 . 1 1 25 25 MET H H 25 8.636 8.636 7.678 0.958 19450
1715 1 11 . 1 1 26 26 GLY N N 26 104.942 104.942 106.371 -1.429 19450
1716 1 11 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.258 -1.343 19450
1717 1 11 . 1 1 26 26 GLY H H 26 8.290 8.290 8.218 0.072 19450
1718 1 11 . 1 1 27 27 HIS N N 27 115.046 115.046 117.118 -2.072 19450
1719 1 11 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.494 0.072 19450
1720 1 11 . 1 1 27 27 HIS CA C 27 56.626 56.626 57.131 -0.505 19450
1721 1 11 . 1 1 27 27 HIS CB C 27 29.875 29.875 29.886 -0.011 19450
1722 1 11 . 1 1 27 27 HIS H H 27 7.206 7.206 8.355 -1.149 19450
1723 1 11 . 1 1 28 28 TYR N N 28 114.431 114.431 116.407 -1.976 19450
1724 1 11 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.690 -0.379 19450
1725 1 11 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.120 1.329 19450
1726 1 11 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.423 -1.761 19450
1727 1 11 . 1 1 28 28 TYR H H 28 8.199 8.199 7.742 0.457 19450
1728 1 11 . 1 1 29 29 CYS N N 29 119.776 119.776 119.838 -0.062 19450
1729 1 11 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.838 1.168 19450
1730 1 11 . 1 1 29 29 CYS CA C 29 51.384 51.384 58.370 -6.986 19450
1731 1 11 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.607 9.448 19450
1732 1 11 . 1 1 29 29 CYS H H 29 8.466 8.466 9.029 -0.563 19450
1733 1 11 . 1 1 30 30 LYS N N 30 119.011 119.011 124.916 -5.905 19450
1734 1 11 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.226 -0.632 19450
1735 1 11 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.607 2.637 19450
1736 1 11 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.540 1.700 19450
1737 1 11 . 1 1 30 30 LYS H H 30 8.872 8.872 8.712 0.160 19450
1738 1 11 . 1 1 31 31 LYS N N 31 117.963 117.963 120.190 -2.227 19450
1739 1 11 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.873 0.155 19450
1740 1 11 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.356 -0.387 19450
1741 1 11 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.656 0.669 19450
1742 1 11 . 1 1 31 31 LYS H H 31 7.183 7.183 8.441 -1.258 19450
1743 1 11 . 1 1 32 32 ALA N N 32 129.495 129.495 118.546 10.949 19450
1744 1 11 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.224 -0.110 19450
1745 1 11 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.410 1.735 19450
1746 1 11 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.647 -0.555 19450
1747 1 11 . 1 1 32 32 ALA H H 32 11.370 11.370 8.283 3.087 19450
1748 1 11 . 1 1 33 33 CYS N N 33 109.017 109.017 115.602 -6.585 19450
1749 1 11 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.584 0.311 19450
1750 1 11 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.465 -4.191 19450
1751 1 11 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.827 6.966 19450
1752 1 11 . 1 1 33 33 CYS H H 33 7.904 7.904 7.502 0.402 19450
1753 1 11 . 1 1 34 34 GLY N N 34 110.854 110.854 110.373 0.481 19450
1754 1 11 . 1 1 34 34 GLY CA C 34 47.128 47.128 46.607 0.521 19450
1755 1 11 . 1 1 34 34 GLY H H 34 8.130 8.130 8.827 -0.697 19450
1756 1 11 . 1 1 35 35 LEU N N 35 118.448 118.448 119.375 -0.927 19450
1757 1 11 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.321 0.177 19450
1758 1 11 . 1 1 35 35 LEU CA C 35 54.259 54.259 55.940 -1.681 19450
1759 1 11 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.430 -0.562 19450
1760 1 11 . 1 1 35 35 LEU H H 35 8.601 8.601 7.793 0.808 19450
1761 1 12 . 1 1 2 2 CYS N N 2 126.377 126.377 121.203 5.174 19450
1762 1 12 . 1 1 2 2 CYS CB C 2 38.890 38.890 27.614 11.276 19450
1763 1 12 . 1 1 2 2 CYS H H 2 9.029 9.029 8.447 0.582 19450
1764 1 12 . 1 1 3 3 GLU N N 3 124.885 124.885 122.668 2.217 19450
1765 1 12 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.333 0.373 19450
1766 1 12 . 1 1 3 3 GLU CA C 3 55.882 55.882 55.132 0.750 19450
1767 1 12 . 1 1 3 3 GLU CB C 3 32.564 32.564 32.248 0.316 19450
1768 1 12 . 1 1 3 3 GLU H H 3 8.376 8.376 8.323 0.053 19450
1769 1 12 . 1 1 4 4 ASP N N 4 121.930 121.930 119.859 2.071 19450
1770 1 12 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.652 0.496 19450
1771 1 12 . 1 1 4 4 ASP CA C 4 55.056 55.056 54.636 0.420 19450
1772 1 12 . 1 1 4 4 ASP CB C 4 43.228 43.228 40.885 2.343 19450
1773 1 12 . 1 1 4 4 ASP H H 4 8.876 8.876 8.689 0.187 19450
1774 1 12 . 1 1 5 5 LEU N N 5 119.092 119.092 121.226 -2.134 19450
1775 1 12 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.405 0.295 19450
1776 1 12 . 1 1 5 5 LEU CA C 5 54.430 54.430 54.821 -0.391 19450
1777 1 12 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.671 0.690 19450
1778 1 12 . 1 1 5 5 LEU H H 5 9.373 9.373 8.071 1.302 19450
1779 1 12 . 1 1 6 6 ASN N N 6 117.782 117.782 117.556 0.226 19450
1780 1 12 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.812 0.106 19450
1781 1 12 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.190 0.827 19450
1782 1 12 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.634 2.281 19450
1783 1 12 . 1 1 6 6 ASN H H 6 7.398 7.398 7.602 -0.204 19450
1784 1 12 . 1 1 7 7 ALA N N 7 130.815 130.815 127.512 3.303 19450
1785 1 12 . 1 1 7 7 ALA HA H 7 4.152 4.152 4.007 0.145 19450
1786 1 12 . 1 1 7 7 ALA CA C 7 54.108 54.108 54.257 -0.149 19450
1787 1 12 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.422 -0.052 19450
1788 1 12 . 1 1 7 7 ALA H H 7 9.016 9.016 8.591 0.425 19450
1789 1 12 . 1 1 8 8 HIS N N 8 114.507 114.507 114.280 0.227 19450
1790 1 12 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.319 0.016 19450
1791 1 12 . 1 1 8 8 HIS CA C 8 62.017 62.017 54.850 7.167 19450
1792 1 12 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.523 -2.927 19450
1793 1 12 . 1 1 8 8 HIS H H 8 9.346 9.346 7.779 1.567 19450
1794 1 12 . 1 1 9 9 CYS N N 9 116.419 116.419 119.059 -2.640 19450
1795 1 12 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.818 0.616 19450
1796 1 12 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.267 -3.478 19450
1797 1 12 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.883 10.049 19450
1798 1 12 . 1 1 9 9 CYS H H 9 7.505 7.505 7.703 -0.198 19450
1799 1 12 . 1 1 10 10 GLU N N 10 119.951 119.951 118.274 1.677 19450
1800 1 12 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.895 0.187 19450
1801 1 12 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.351 0.826 19450
1802 1 12 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.212 -1.065 19450
1803 1 12 . 1 1 10 10 GLU H H 10 8.848 8.848 8.392 0.456 19450
1804 1 12 . 1 1 11 11 MET N N 11 121.293 121.293 118.952 2.341 19450
1805 1 12 . 1 1 11 11 MET HA H 11 4.107 4.107 4.096 0.011 19450
1806 1 12 . 1 1 11 11 MET CA C 11 58.574 58.574 58.383 0.191 19450
1807 1 12 . 1 1 11 11 MET CB C 11 31.841 31.841 32.207 -0.366 19450
1808 1 12 . 1 1 11 11 MET H H 11 7.920 7.920 7.909 0.011 19450
1809 1 12 . 1 1 12 12 TRP N N 12 118.764 118.764 117.573 1.191 19450
1810 1 12 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.959 0.286 19450
1811 1 12 . 1 1 12 12 TRP CA C 12 58.110 58.110 56.532 1.577 19450
1812 1 12 . 1 1 12 12 TRP CB C 12 28.680 28.680 28.147 0.533 19450
1813 1 12 . 1 1 12 12 TRP H H 12 8.383 8.383 7.865 0.518 19450
1814 1 12 . 1 1 13 13 GLN N N 13 123.583 123.583 119.968 3.615 19450
1815 1 12 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.145 0.090 19450
1816 1 12 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.601 0.610 19450
1817 1 12 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.756 -0.867 19450
1818 1 12 . 1 1 13 13 GLN H H 13 9.051 9.051 8.597 0.454 19450
1819 1 12 . 1 1 14 14 GLN N N 14 114.111 114.111 120.616 -6.505 19450
1820 1 12 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.147 -0.172 19450
1821 1 12 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.361 0.574 19450
1822 1 12 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.235 -0.236 19450
1823 1 12 . 1 1 14 14 GLN H H 14 8.359 8.359 8.380 -0.021 19450
1824 1 12 . 1 1 15 15 LEU N N 15 117.658 117.658 118.376 -0.718 19450
1825 1 12 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.594 -0.123 19450
1826 1 12 . 1 1 15 15 LEU CA C 15 54.794 54.794 54.838 -0.044 19450
1827 1 12 . 1 1 15 15 LEU CB C 15 43.107 43.107 42.013 1.094 19450
1828 1 12 . 1 1 15 15 LEU H H 15 7.553 7.553 7.416 0.137 19450
1829 1 12 . 1 1 16 16 GLY N N 16 106.380 106.380 106.306 0.074 19450
1830 1 12 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.465 0.795 19450
1831 1 12 . 1 1 16 16 GLY H H 16 7.859 7.859 8.086 -0.227 19450
1832 1 12 . 1 1 17 17 HIS N N 17 116.016 116.016 119.871 -3.855 19450
1833 1 12 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.309 -0.076 19450
1834 1 12 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.251 -1.339 19450
1835 1 12 . 1 1 17 17 HIS CB C 17 29.782 29.782 30.071 -0.289 19450
1836 1 12 . 1 1 17 17 HIS H H 17 8.606 8.606 9.161 -0.555 19450
1837 1 12 . 1 1 18 18 CYS N N 18 119.185 119.185 115.435 3.750 19450
1838 1 12 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.448 -0.428 19450
1839 1 12 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.545 -2.140 19450
1840 1 12 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.602 11.335 19450
1841 1 12 . 1 1 18 18 CYS H H 18 9.681 9.681 8.566 1.115 19450
1842 1 12 . 1 1 19 19 GLN N N 19 114.091 114.091 118.632 -4.541 19450
1843 1 12 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.012 0.272 19450
1844 1 12 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.456 -0.908 19450
1845 1 12 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.622 0.120 19450
1846 1 12 . 1 1 19 19 GLN H H 19 7.173 7.173 7.775 -0.602 19450
1847 1 12 . 1 1 20 20 TYR N N 20 116.340 116.340 115.471 0.869 19450
1848 1 12 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.655 -0.022 19450
1849 1 12 . 1 1 20 20 TYR CA C 20 58.801 58.801 59.036 -0.235 19450
1850 1 12 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.795 -0.821 19450
1851 1 12 . 1 1 20 20 TYR H H 20 7.442 7.442 8.391 -0.949 19450
1852 1 12 . 1 1 21 21 SER N N 21 123.873 123.873 114.216 9.657 19450
1853 1 12 . 1 1 21 21 SER HA H 21 4.933 4.933 5.070 -0.137 19450
1854 1 12 . 1 1 21 21 SER CA C 21 54.779 54.779 54.667 0.112 19450
1855 1 12 . 1 1 21 21 SER CB C 21 63.040 63.040 63.604 -0.564 19450
1856 1 12 . 1 1 21 21 SER H H 21 8.372 8.372 8.485 -0.113 19450
1857 1 12 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.594 -0.351 19450
1858 1 12 . 1 1 22 22 PRO CA C 22 65.637 65.637 63.952 1.685 19450
1859 1 12 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.459 -0.619 19450
1860 1 12 . 1 1 23 23 LYS N N 23 121.196 121.196 118.839 2.357 19450
1861 1 12 . 1 1 23 23 LYS HA H 23 4.126 4.126 3.983 0.143 19450
1862 1 12 . 1 1 23 23 LYS CA C 23 59.531 59.531 59.120 0.411 19450
1863 1 12 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.591 0.076 19450
1864 1 12 . 1 1 23 23 LYS H H 23 8.225 8.225 8.664 -0.439 19450
1865 1 12 . 1 1 24 24 TYR N N 24 120.716 120.716 113.585 7.131 19450
1866 1 12 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.795 -0.471 19450
1867 1 12 . 1 1 24 24 TYR CA C 24 55.347 55.347 58.862 -3.515 19450
1868 1 12 . 1 1 24 24 TYR CB C 24 39.369 39.369 39.052 0.317 19450
1869 1 12 . 1 1 24 24 TYR H H 24 8.318 8.318 7.469 0.849 19450
1870 1 12 . 1 1 25 25 MET N N 25 117.494 117.494 119.221 -1.727 19450
1871 1 12 . 1 1 25 25 MET HA H 25 4.344 4.344 4.653 -0.309 19450
1872 1 12 . 1 1 25 25 MET CA C 25 56.843 56.843 55.763 1.080 19450
1873 1 12 . 1 1 25 25 MET CB C 25 31.620 31.620 32.361 -0.741 19450
1874 1 12 . 1 1 25 25 MET H H 25 8.636 8.636 7.711 0.925 19450
1875 1 12 . 1 1 26 26 GLY N N 26 104.942 104.942 106.020 -1.078 19450
1876 1 12 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.440 -1.524 19450
1877 1 12 . 1 1 26 26 GLY H H 26 8.290 8.290 8.228 0.062 19450
1878 1 12 . 1 1 27 27 HIS N N 27 115.046 115.046 117.707 -2.661 19450
1879 1 12 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.541 0.025 19450
1880 1 12 . 1 1 27 27 HIS CA C 27 56.626 56.626 56.946 -0.320 19450
1881 1 12 . 1 1 27 27 HIS CB C 27 29.875 29.875 30.033 -0.158 19450
1882 1 12 . 1 1 27 27 HIS H H 27 7.206 7.206 8.360 -1.154 19450
1883 1 12 . 1 1 28 28 TYR N N 28 114.431 114.431 116.492 -2.061 19450
1884 1 12 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.651 -0.340 19450
1885 1 12 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.142 1.307 19450
1886 1 12 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.227 -1.565 19450
1887 1 12 . 1 1 28 28 TYR H H 28 8.199 8.199 7.731 0.468 19450
1888 1 12 . 1 1 29 29 CYS N N 29 119.776 119.776 119.951 -0.175 19450
1889 1 12 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.817 1.189 19450
1890 1 12 . 1 1 29 29 CYS CA C 29 51.384 51.384 58.509 -7.125 19450
1891 1 12 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.459 9.596 19450
1892 1 12 . 1 1 29 29 CYS H H 29 8.466 8.466 8.963 -0.497 19450
1893 1 12 . 1 1 30 30 LYS N N 30 119.011 119.011 125.431 -6.420 19450
1894 1 12 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.251 -0.657 19450
1895 1 12 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.444 2.800 19450
1896 1 12 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.655 1.585 19450
1897 1 12 . 1 1 30 30 LYS H H 30 8.872 8.872 8.669 0.203 19450
1898 1 12 . 1 1 31 31 LYS N N 31 117.963 117.963 120.124 -2.161 19450
1899 1 12 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.874 0.154 19450
1900 1 12 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.404 -0.435 19450
1901 1 12 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.664 0.661 19450
1902 1 12 . 1 1 31 31 LYS H H 31 7.183 7.183 8.435 -1.252 19450
1903 1 12 . 1 1 32 32 ALA N N 32 129.495 129.495 120.080 9.415 19450
1904 1 12 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.257 -0.143 19450
1905 1 12 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.592 1.553 19450
1906 1 12 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.583 -0.491 19450
1907 1 12 . 1 1 32 32 ALA H H 32 11.370 11.370 8.304 3.066 19450
1908 1 12 . 1 1 33 33 CYS N N 33 109.017 109.017 115.385 -6.368 19450
1909 1 12 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.552 0.343 19450
1910 1 12 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.390 -4.116 19450
1911 1 12 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.809 6.984 19450
1912 1 12 . 1 1 33 33 CYS H H 33 7.904 7.904 7.181 0.723 19450
1913 1 12 . 1 1 34 34 GLY N N 34 110.854 110.854 110.620 0.234 19450
1914 1 12 . 1 1 34 34 GLY CA C 34 47.128 47.128 46.467 0.661 19450
1915 1 12 . 1 1 34 34 GLY H H 34 8.130 8.130 8.824 -0.694 19450
1916 1 12 . 1 1 35 35 LEU N N 35 118.448 118.448 118.788 -0.340 19450
1917 1 12 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.509 -0.011 19450
1918 1 12 . 1 1 35 35 LEU CA C 35 54.259 54.259 55.571 -1.312 19450
1919 1 12 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.829 -0.961 19450
1920 1 12 . 1 1 35 35 LEU H H 35 8.601 8.601 7.717 0.884 19450
1921 1 13 . 1 1 2 2 CYS N N 2 126.377 126.377 122.368 4.009 19450
1922 1 13 . 1 1 2 2 CYS CB C 2 38.890 38.890 27.505 11.385 19450
1923 1 13 . 1 1 2 2 CYS H H 2 9.029 9.029 8.520 0.509 19450
1924 1 13 . 1 1 3 3 GLU N N 3 124.885 124.885 121.345 3.540 19450
1925 1 13 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.348 0.358 19450
1926 1 13 . 1 1 3 3 GLU CA C 3 55.882 55.882 55.334 0.548 19450
1927 1 13 . 1 1 3 3 GLU CB C 3 32.564 32.564 33.030 -0.466 19450
1928 1 13 . 1 1 3 3 GLU H H 3 8.376 8.376 8.344 0.032 19450
1929 1 13 . 1 1 4 4 ASP N N 4 121.930 121.930 120.386 1.544 19450
1930 1 13 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.679 0.469 19450
1931 1 13 . 1 1 4 4 ASP CA C 4 55.056 55.056 54.341 0.715 19450
1932 1 13 . 1 1 4 4 ASP CB C 4 43.228 43.228 40.091 3.137 19450
1933 1 13 . 1 1 4 4 ASP H H 4 8.876 8.876 8.664 0.212 19450
1934 1 13 . 1 1 5 5 LEU N N 5 119.092 119.092 123.176 -4.084 19450
1935 1 13 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.183 0.517 19450
1936 1 13 . 1 1 5 5 LEU CA C 5 54.430 54.430 56.612 -2.182 19450
1937 1 13 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.257 1.104 19450
1938 1 13 . 1 1 5 5 LEU H H 5 9.373 9.373 8.759 0.614 19450
1939 1 13 . 1 1 6 6 ASN N N 6 117.782 117.782 116.774 1.008 19450
1940 1 13 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.795 0.123 19450
1941 1 13 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.134 0.883 19450
1942 1 13 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.588 2.327 19450
1943 1 13 . 1 1 6 6 ASN H H 6 7.398 7.398 7.573 -0.175 19450
1944 1 13 . 1 1 7 7 ALA N N 7 130.815 130.815 127.896 2.919 19450
1945 1 13 . 1 1 7 7 ALA HA H 7 4.152 4.152 4.085 0.067 19450
1946 1 13 . 1 1 7 7 ALA CA C 7 54.108 54.108 54.075 0.033 19450
1947 1 13 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.549 -0.179 19450
1948 1 13 . 1 1 7 7 ALA H H 7 9.016 9.016 8.604 0.412 19450
1949 1 13 . 1 1 8 8 HIS N N 8 114.507 114.507 114.607 -0.100 19450
1950 1 13 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.261 0.074 19450
1951 1 13 . 1 1 8 8 HIS CA C 8 62.017 62.017 55.337 6.681 19450
1952 1 13 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.681 -3.085 19450
1953 1 13 . 1 1 8 8 HIS H H 8 9.346 9.346 7.808 1.538 19450
1954 1 13 . 1 1 9 9 CYS N N 9 116.419 116.419 119.124 -2.705 19450
1955 1 13 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.899 0.535 19450
1956 1 13 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.318 -3.529 19450
1957 1 13 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.366 10.566 19450
1958 1 13 . 1 1 9 9 CYS H H 9 7.505 7.505 7.716 -0.211 19450
1959 1 13 . 1 1 10 10 GLU N N 10 119.951 119.951 119.077 0.874 19450
1960 1 13 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.915 0.167 19450
1961 1 13 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.642 0.535 19450
1962 1 13 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.263 -1.116 19450
1963 1 13 . 1 1 10 10 GLU H H 10 8.848 8.848 8.278 0.570 19450
1964 1 13 . 1 1 11 11 MET N N 11 121.293 121.293 117.337 3.956 19450
1965 1 13 . 1 1 11 11 MET HA H 11 4.107 4.107 4.211 -0.104 19450
1966 1 13 . 1 1 11 11 MET CA C 11 58.574 58.574 58.726 -0.152 19450
1967 1 13 . 1 1 11 11 MET CB C 11 31.841 31.841 32.127 -0.286 19450
1968 1 13 . 1 1 11 11 MET H H 11 7.920 7.920 7.944 -0.024 19450
1969 1 13 . 1 1 12 12 TRP N N 12 118.764 118.764 117.882 0.882 19450
1970 1 13 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.875 0.370 19450
1971 1 13 . 1 1 12 12 TRP CA C 12 58.110 58.110 56.433 1.677 19450
1972 1 13 . 1 1 12 12 TRP CB C 12 28.680 28.680 28.274 0.406 19450
1973 1 13 . 1 1 12 12 TRP H H 12 8.383 8.383 7.829 0.554 19450
1974 1 13 . 1 1 13 13 GLN N N 13 123.583 123.583 119.936 3.647 19450
1975 1 13 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.147 0.088 19450
1976 1 13 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.642 0.569 19450
1977 1 13 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.785 -0.896 19450
1978 1 13 . 1 1 13 13 GLN H H 13 9.051 9.051 8.959 0.092 19450
1979 1 13 . 1 1 14 14 GLN N N 14 114.111 114.111 120.255 -6.144 19450
1980 1 13 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.161 -0.186 19450
1981 1 13 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.304 0.631 19450
1982 1 13 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.301 -0.302 19450
1983 1 13 . 1 1 14 14 GLN H H 14 8.359 8.359 8.353 0.006 19450
1984 1 13 . 1 1 15 15 LEU N N 15 117.658 117.658 116.892 0.766 19450
1985 1 13 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.547 -0.076 19450
1986 1 13 . 1 1 15 15 LEU CA C 15 54.794 54.794 54.701 0.093 19450
1987 1 13 . 1 1 15 15 LEU CB C 15 43.107 43.107 42.154 0.952 19450
1988 1 13 . 1 1 15 15 LEU H H 15 7.553 7.553 7.319 0.234 19450
1989 1 13 . 1 1 16 16 GLY N N 16 106.380 106.380 105.005 1.375 19450
1990 1 13 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.477 0.783 19450
1991 1 13 . 1 1 16 16 GLY H H 16 7.859 7.859 7.903 -0.044 19450
1992 1 13 . 1 1 17 17 HIS N N 17 116.016 116.016 119.867 -3.851 19450
1993 1 13 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.311 -0.078 19450
1994 1 13 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.157 -1.245 19450
1995 1 13 . 1 1 17 17 HIS CB C 17 29.782 29.782 30.027 -0.246 19450
1996 1 13 . 1 1 17 17 HIS H H 17 8.606 8.606 9.110 -0.504 19450
1997 1 13 . 1 1 18 18 CYS N N 18 119.185 119.185 115.485 3.700 19450
1998 1 13 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.440 -0.420 19450
1999 1 13 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.571 -2.166 19450
2000 1 13 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.609 11.328 19450
2001 1 13 . 1 1 18 18 CYS H H 18 9.681 9.681 8.583 1.098 19450
2002 1 13 . 1 1 19 19 GLN N N 19 114.091 114.091 118.616 -4.525 19450
2003 1 13 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.030 0.254 19450
2004 1 13 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.435 -0.887 19450
2005 1 13 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.665 0.077 19450
2006 1 13 . 1 1 19 19 GLN H H 19 7.173 7.173 7.740 -0.567 19450
2007 1 13 . 1 1 20 20 TYR N N 20 116.340 116.340 116.126 0.214 19450
2008 1 13 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.639 -0.006 19450
2009 1 13 . 1 1 20 20 TYR CA C 20 58.801 58.801 59.375 -0.574 19450
2010 1 13 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.770 -0.796 19450
2011 1 13 . 1 1 20 20 TYR H H 20 7.442 7.442 8.403 -0.961 19450
2012 1 13 . 1 1 21 21 SER N N 21 123.873 123.873 115.110 8.763 19450
2013 1 13 . 1 1 21 21 SER HA H 21 4.933 4.933 5.088 -0.155 19450
2014 1 13 . 1 1 21 21 SER CA C 21 54.779 54.779 54.542 0.237 19450
2015 1 13 . 1 1 21 21 SER CB C 21 63.040 63.040 63.967 -0.927 19450
2016 1 13 . 1 1 21 21 SER H H 21 8.372 8.372 8.476 -0.104 19450
2017 1 13 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.583 -0.340 19450
2018 1 13 . 1 1 22 22 PRO CA C 22 65.637 65.637 64.115 1.522 19450
2019 1 13 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.247 -0.407 19450
2020 1 13 . 1 1 23 23 LYS N N 23 121.196 121.196 118.876 2.320 19450
2021 1 13 . 1 1 23 23 LYS HA H 23 4.126 4.126 3.991 0.135 19450
2022 1 13 . 1 1 23 23 LYS CA C 23 59.531 59.531 59.120 0.411 19450
2023 1 13 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.604 0.064 19450
2024 1 13 . 1 1 23 23 LYS H H 23 8.225 8.225 8.648 -0.423 19450
2025 1 13 . 1 1 24 24 TYR N N 24 120.716 120.716 113.699 7.017 19450
2026 1 13 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.772 -0.448 19450
2027 1 13 . 1 1 24 24 TYR CA C 24 55.347 55.347 59.031 -3.684 19450
2028 1 13 . 1 1 24 24 TYR CB C 24 39.369 39.369 39.106 0.263 19450
2029 1 13 . 1 1 24 24 TYR H H 24 8.318 8.318 7.493 0.825 19450
2030 1 13 . 1 1 25 25 MET N N 25 117.494 117.494 118.840 -1.346 19450
2031 1 13 . 1 1 25 25 MET HA H 25 4.344 4.344 4.706 -0.362 19450
2032 1 13 . 1 1 25 25 MET CA C 25 56.843 56.843 55.985 0.858 19450
2033 1 13 . 1 1 25 25 MET CB C 25 31.620 31.620 32.585 -0.965 19450
2034 1 13 . 1 1 25 25 MET H H 25 8.636 8.636 7.703 0.933 19450
2035 1 13 . 1 1 26 26 GLY N N 26 104.942 104.942 106.254 -1.312 19450
2036 1 13 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.487 -1.572 19450
2037 1 13 . 1 1 26 26 GLY H H 26 8.290 8.290 8.250 0.040 19450
2038 1 13 . 1 1 27 27 HIS N N 27 115.046 115.046 117.519 -2.473 19450
2039 1 13 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.558 0.008 19450
2040 1 13 . 1 1 27 27 HIS CA C 27 56.626 56.626 56.886 -0.260 19450
2041 1 13 . 1 1 27 27 HIS CB C 27 29.875 29.875 30.053 -0.178 19450
2042 1 13 . 1 1 27 27 HIS H H 27 7.206 7.206 8.350 -1.144 19450
2043 1 13 . 1 1 28 28 TYR N N 28 114.431 114.431 116.047 -1.616 19450
2044 1 13 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.632 -0.321 19450
2045 1 13 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.107 1.342 19450
2046 1 13 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.309 -1.647 19450
2047 1 13 . 1 1 28 28 TYR H H 28 8.199 8.199 7.737 0.462 19450
2048 1 13 . 1 1 29 29 CYS N N 29 119.776 119.776 119.988 -0.212 19450
2049 1 13 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.860 1.146 19450
2050 1 13 . 1 1 29 29 CYS CA C 29 51.384 51.384 58.393 -7.009 19450
2051 1 13 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.682 9.373 19450
2052 1 13 . 1 1 29 29 CYS H H 29 8.466 8.466 9.128 -0.662 19450
2053 1 13 . 1 1 30 30 LYS N N 30 119.011 119.011 125.379 -6.368 19450
2054 1 13 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.257 -0.663 19450
2055 1 13 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.430 2.814 19450
2056 1 13 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.633 1.607 19450
2057 1 13 . 1 1 30 30 LYS H H 30 8.872 8.872 8.693 0.179 19450
2058 1 13 . 1 1 31 31 LYS N N 31 117.963 117.963 120.342 -2.379 19450
2059 1 13 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.940 0.088 19450
2060 1 13 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.148 -0.179 19450
2061 1 13 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.859 0.466 19450
2062 1 13 . 1 1 31 31 LYS H H 31 7.183 7.183 8.344 -1.161 19450
2063 1 13 . 1 1 32 32 ALA N N 32 129.495 129.495 120.549 8.946 19450
2064 1 13 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.201 -0.087 19450
2065 1 13 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.884 1.261 19450
2066 1 13 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.770 -0.678 19450
2067 1 13 . 1 1 32 32 ALA H H 32 11.370 11.370 8.120 3.250 19450
2068 1 13 . 1 1 33 33 CYS N N 33 109.017 109.017 115.234 -6.217 19450
2069 1 13 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.532 0.363 19450
2070 1 13 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.404 -4.130 19450
2071 1 13 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.488 7.305 19450
2072 1 13 . 1 1 33 33 CYS H H 33 7.904 7.904 7.152 0.752 19450
2073 1 13 . 1 1 34 34 GLY N N 34 110.854 110.854 110.301 0.553 19450
2074 1 13 . 1 1 34 34 GLY CA C 34 47.128 47.128 46.044 1.084 19450
2075 1 13 . 1 1 34 34 GLY H H 34 8.130 8.130 8.783 -0.653 19450
2076 1 13 . 1 1 35 35 LEU N N 35 118.448 118.448 118.914 -0.466 19450
2077 1 13 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.558 -0.060 19450
2078 1 13 . 1 1 35 35 LEU CA C 35 54.259 54.259 55.579 -1.320 19450
2079 1 13 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.836 -0.968 19450
2080 1 13 . 1 1 35 35 LEU H H 35 8.601 8.601 7.540 1.061 19450
2081 1 14 . 1 1 2 2 CYS N N 2 126.377 126.377 122.281 4.096 19450
2082 1 14 . 1 1 2 2 CYS CB C 2 38.890 38.890 28.339 10.551 19450
2083 1 14 . 1 1 2 2 CYS H H 2 9.029 9.029 8.426 0.603 19450
2084 1 14 . 1 1 3 3 GLU N N 3 124.885 124.885 122.176 2.709 19450
2085 1 14 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.403 0.303 19450
2086 1 14 . 1 1 3 3 GLU CA C 3 55.882 55.882 55.422 0.460 19450
2087 1 14 . 1 1 3 3 GLU CB C 3 32.564 32.564 32.585 -0.021 19450
2088 1 14 . 1 1 3 3 GLU H H 3 8.376 8.376 8.401 -0.025 19450
2089 1 14 . 1 1 4 4 ASP N N 4 121.930 121.930 120.574 1.356 19450
2090 1 14 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.584 0.564 19450
2091 1 14 . 1 1 4 4 ASP CA C 4 55.056 55.056 54.318 0.738 19450
2092 1 14 . 1 1 4 4 ASP CB C 4 43.228 43.228 39.696 3.532 19450
2093 1 14 . 1 1 4 4 ASP H H 4 8.876 8.876 8.481 0.395 19450
2094 1 14 . 1 1 5 5 LEU N N 5 119.092 119.092 123.196 -4.104 19450
2095 1 14 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.239 0.461 19450
2096 1 14 . 1 1 5 5 LEU CA C 5 54.430 54.430 56.374 -1.944 19450
2097 1 14 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.346 1.015 19450
2098 1 14 . 1 1 5 5 LEU H H 5 9.373 9.373 8.679 0.694 19450
2099 1 14 . 1 1 6 6 ASN N N 6 117.782 117.782 116.474 1.308 19450
2100 1 14 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.831 0.087 19450
2101 1 14 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.251 0.766 19450
2102 1 14 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.152 2.763 19450
2103 1 14 . 1 1 6 6 ASN H H 6 7.398 7.398 7.548 -0.150 19450
2104 1 14 . 1 1 7 7 ALA N N 7 130.815 130.815 126.526 4.289 19450
2105 1 14 . 1 1 7 7 ALA HA H 7 4.152 4.152 3.993 0.159 19450
2106 1 14 . 1 1 7 7 ALA CA C 7 54.108 54.108 54.327 -0.219 19450
2107 1 14 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.561 -0.190 19450
2108 1 14 . 1 1 7 7 ALA H H 7 9.016 9.016 8.593 0.423 19450
2109 1 14 . 1 1 8 8 HIS N N 8 114.507 114.507 114.942 -0.435 19450
2110 1 14 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.217 0.118 19450
2111 1 14 . 1 1 8 8 HIS CA C 8 62.017 62.017 55.146 6.871 19450
2112 1 14 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.432 -2.836 19450
2113 1 14 . 1 1 8 8 HIS H H 8 9.346 9.346 7.905 1.441 19450
2114 1 14 . 1 1 9 9 CYS N N 9 116.419 116.419 119.263 -2.844 19450
2115 1 14 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.764 0.670 19450
2116 1 14 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.011 -3.223 19450
2117 1 14 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.516 10.416 19450
2118 1 14 . 1 1 9 9 CYS H H 9 7.505 7.505 7.745 -0.240 19450
2119 1 14 . 1 1 10 10 GLU N N 10 119.951 119.951 118.281 1.670 19450
2120 1 14 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.981 0.101 19450
2121 1 14 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.387 0.790 19450
2122 1 14 . 1 1 10 10 GLU CB C 10 28.147 28.147 28.959 -0.812 19450
2123 1 14 . 1 1 10 10 GLU H H 10 8.848 8.848 8.406 0.442 19450
2124 1 14 . 1 1 11 11 MET N N 11 121.293 121.293 117.770 3.523 19450
2125 1 14 . 1 1 11 11 MET HA H 11 4.107 4.107 4.250 -0.143 19450
2126 1 14 . 1 1 11 11 MET CA C 11 58.574 58.574 58.856 -0.282 19450
2127 1 14 . 1 1 11 11 MET CB C 11 31.841 31.841 32.148 -0.307 19450
2128 1 14 . 1 1 11 11 MET H H 11 7.920 7.920 7.840 0.080 19450
2129 1 14 . 1 1 12 12 TRP N N 12 118.764 118.764 118.524 0.240 19450
2130 1 14 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.946 0.299 19450
2131 1 14 . 1 1 12 12 TRP CA C 12 58.110 58.110 56.271 1.839 19450
2132 1 14 . 1 1 12 12 TRP CB C 12 28.680 28.680 27.967 0.713 19450
2133 1 14 . 1 1 12 12 TRP H H 12 8.383 8.383 7.904 0.479 19450
2134 1 14 . 1 1 13 13 GLN N N 13 123.583 123.583 119.928 3.655 19450
2135 1 14 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.160 0.075 19450
2136 1 14 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.581 0.630 19450
2137 1 14 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.800 -0.911 19450
2138 1 14 . 1 1 13 13 GLN H H 13 9.051 9.051 8.705 0.346 19450
2139 1 14 . 1 1 14 14 GLN N N 14 114.111 114.111 120.827 -6.716 19450
2140 1 14 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.145 -0.170 19450
2141 1 14 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.410 0.526 19450
2142 1 14 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.189 -0.190 19450
2143 1 14 . 1 1 14 14 GLN H H 14 8.359 8.359 8.488 -0.129 19450
2144 1 14 . 1 1 15 15 LEU N N 15 117.658 117.658 118.393 -0.735 19450
2145 1 14 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.564 -0.093 19450
2146 1 14 . 1 1 15 15 LEU CA C 15 54.794 54.794 54.915 -0.121 19450
2147 1 14 . 1 1 15 15 LEU CB C 15 43.107 43.107 41.840 1.267 19450
2148 1 14 . 1 1 15 15 LEU H H 15 7.553 7.553 7.493 0.060 19450
2149 1 14 . 1 1 16 16 GLY N N 16 106.380 106.380 106.239 0.141 19450
2150 1 14 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.471 0.789 19450
2151 1 14 . 1 1 16 16 GLY H H 16 7.859 7.859 8.030 -0.171 19450
2152 1 14 . 1 1 17 17 HIS N N 17 116.016 116.016 119.943 -3.927 19450
2153 1 14 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.291 -0.058 19450
2154 1 14 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.361 -1.449 19450
2155 1 14 . 1 1 17 17 HIS CB C 17 29.782 29.782 30.052 -0.270 19450
2156 1 14 . 1 1 17 17 HIS H H 17 8.606 8.606 9.126 -0.520 19450
2157 1 14 . 1 1 18 18 CYS N N 18 119.185 119.185 115.317 3.868 19450
2158 1 14 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.453 -0.433 19450
2159 1 14 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.514 -2.109 19450
2160 1 14 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.614 11.323 19450
2161 1 14 . 1 1 18 18 CYS H H 18 9.681 9.681 8.591 1.090 19450
2162 1 14 . 1 1 19 19 GLN N N 19 114.091 114.091 118.668 -4.577 19450
2163 1 14 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.031 0.253 19450
2164 1 14 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.458 -0.910 19450
2165 1 14 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.668 0.074 19450
2166 1 14 . 1 1 19 19 GLN H H 19 7.173 7.173 7.751 -0.578 19450
2167 1 14 . 1 1 20 20 TYR N N 20 116.340 116.340 115.808 0.532 19450
2168 1 14 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.613 0.020 19450
2169 1 14 . 1 1 20 20 TYR CA C 20 58.801 58.801 59.446 -0.645 19450
2170 1 14 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.757 -0.783 19450
2171 1 14 . 1 1 20 20 TYR H H 20 7.442 7.442 8.452 -1.010 19450
2172 1 14 . 1 1 21 21 SER N N 21 123.873 123.873 113.981 9.892 19450
2173 1 14 . 1 1 21 21 SER HA H 21 4.933 4.933 5.071 -0.138 19450
2174 1 14 . 1 1 21 21 SER CA C 21 54.779 54.779 54.818 -0.039 19450
2175 1 14 . 1 1 21 21 SER CB C 21 63.040 63.040 63.629 -0.589 19450
2176 1 14 . 1 1 21 21 SER H H 21 8.372 8.372 8.491 -0.119 19450
2177 1 14 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.584 -0.341 19450
2178 1 14 . 1 1 22 22 PRO CA C 22 65.637 65.637 63.984 1.653 19450
2179 1 14 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.398 -0.558 19450
2180 1 14 . 1 1 23 23 LYS N N 23 121.196 121.196 118.841 2.355 19450
2181 1 14 . 1 1 23 23 LYS HA H 23 4.126 4.126 3.990 0.136 19450
2182 1 14 . 1 1 23 23 LYS CA C 23 59.531 59.531 59.065 0.466 19450
2183 1 14 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.580 0.088 19450
2184 1 14 . 1 1 23 23 LYS H H 23 8.225 8.225 8.619 -0.394 19450
2185 1 14 . 1 1 24 24 TYR N N 24 120.716 120.716 113.755 6.961 19450
2186 1 14 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.804 -0.480 19450
2187 1 14 . 1 1 24 24 TYR CA C 24 55.347 55.347 58.934 -3.587 19450
2188 1 14 . 1 1 24 24 TYR CB C 24 39.369 39.369 39.102 0.267 19450
2189 1 14 . 1 1 24 24 TYR H H 24 8.318 8.318 7.453 0.865 19450
2190 1 14 . 1 1 25 25 MET N N 25 117.494 117.494 119.384 -1.890 19450
2191 1 14 . 1 1 25 25 MET HA H 25 4.344 4.344 4.624 -0.280 19450
2192 1 14 . 1 1 25 25 MET CA C 25 56.843 56.843 56.167 0.676 19450
2193 1 14 . 1 1 25 25 MET CB C 25 31.620 31.620 32.230 -0.610 19450
2194 1 14 . 1 1 25 25 MET H H 25 8.636 8.636 7.720 0.916 19450
2195 1 14 . 1 1 26 26 GLY N N 26 104.942 104.942 106.081 -1.139 19450
2196 1 14 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.480 -1.565 19450
2197 1 14 . 1 1 26 26 GLY H H 26 8.290 8.290 8.250 0.040 19450
2198 1 14 . 1 1 27 27 HIS N N 27 115.046 115.046 117.751 -2.705 19450
2199 1 14 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.559 0.007 19450
2200 1 14 . 1 1 27 27 HIS CA C 27 56.626 56.626 57.012 -0.386 19450
2201 1 14 . 1 1 27 27 HIS CB C 27 29.875 29.875 30.051 -0.176 19450
2202 1 14 . 1 1 27 27 HIS H H 27 7.206 7.206 8.369 -1.163 19450
2203 1 14 . 1 1 28 28 TYR N N 28 114.431 114.431 116.307 -1.876 19450
2204 1 14 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.642 -0.331 19450
2205 1 14 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.172 1.278 19450
2206 1 14 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.388 -1.726 19450
2207 1 14 . 1 1 28 28 TYR H H 28 8.199 8.199 7.787 0.412 19450
2208 1 14 . 1 1 29 29 CYS N N 29 119.776 119.776 119.823 -0.047 19450
2209 1 14 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.941 1.065 19450
2210 1 14 . 1 1 29 29 CYS CA C 29 51.384 51.384 58.250 -6.866 19450
2211 1 14 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.541 9.514 19450
2212 1 14 . 1 1 29 29 CYS H H 29 8.466 8.466 9.066 -0.600 19450
2213 1 14 . 1 1 30 30 LYS N N 30 119.011 119.011 125.453 -6.442 19450
2214 1 14 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.248 -0.654 19450
2215 1 14 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.490 2.754 19450
2216 1 14 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.635 1.605 19450
2217 1 14 . 1 1 30 30 LYS H H 30 8.872 8.872 8.695 0.177 19450
2218 1 14 . 1 1 31 31 LYS N N 31 117.963 117.963 120.373 -2.410 19450
2219 1 14 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.919 0.109 19450
2220 1 14 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.322 -0.353 19450
2221 1 14 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.668 0.657 19450
2222 1 14 . 1 1 31 31 LYS H H 31 7.183 7.183 8.455 -1.272 19450
2223 1 14 . 1 1 32 32 ALA N N 32 129.495 129.495 119.821 9.674 19450
2224 1 14 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.218 -0.104 19450
2225 1 14 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.689 1.456 19450
2226 1 14 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.579 -0.487 19450
2227 1 14 . 1 1 32 32 ALA H H 32 11.370 11.370 8.279 3.091 19450
2228 1 14 . 1 1 33 33 CYS N N 33 109.017 109.017 115.314 -6.297 19450
2229 1 14 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.536 0.359 19450
2230 1 14 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.425 -4.151 19450
2231 1 14 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.502 7.292 19450
2232 1 14 . 1 1 33 33 CYS H H 33 7.904 7.904 7.152 0.752 19450
2233 1 14 . 1 1 34 34 GLY N N 34 110.854 110.854 109.735 1.119 19450
2234 1 14 . 1 1 34 34 GLY CA C 34 47.128 47.128 46.054 1.074 19450
2235 1 14 . 1 1 34 34 GLY H H 34 8.130 8.130 8.769 -0.639 19450
2236 1 14 . 1 1 35 35 LEU N N 35 118.448 118.448 118.576 -0.128 19450
2237 1 14 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.551 -0.053 19450
2238 1 14 . 1 1 35 35 LEU CA C 35 54.259 54.259 55.552 -1.293 19450
2239 1 14 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.659 -0.791 19450
2240 1 14 . 1 1 35 35 LEU H H 35 8.601 8.601 7.268 1.333 19450
2241 1 15 . 1 1 2 2 CYS N N 2 126.377 126.377 124.860 1.517 19450
2242 1 15 . 1 1 2 2 CYS CB C 2 38.890 38.890 26.807 12.083 19450
2243 1 15 . 1 1 2 2 CYS H H 2 9.029 9.029 8.554 0.475 19450
2244 1 15 . 1 1 3 3 GLU N N 3 124.885 124.885 122.986 1.899 19450
2245 1 15 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.321 0.385 19450
2246 1 15 . 1 1 3 3 GLU CA C 3 55.882 55.882 54.912 0.970 19450
2247 1 15 . 1 1 3 3 GLU CB C 3 32.564 32.564 32.497 0.067 19450
2248 1 15 . 1 1 3 3 GLU H H 3 8.376 8.376 8.413 -0.037 19450
2249 1 15 . 1 1 4 4 ASP N N 4 121.930 121.930 120.019 1.911 19450
2250 1 15 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.631 0.517 19450
2251 1 15 . 1 1 4 4 ASP CA C 4 55.056 55.056 54.644 0.412 19450
2252 1 15 . 1 1 4 4 ASP CB C 4 43.228 43.228 40.102 3.126 19450
2253 1 15 . 1 1 4 4 ASP H H 4 8.876 8.876 8.572 0.304 19450
2254 1 15 . 1 1 5 5 LEU N N 5 119.092 119.092 123.337 -4.245 19450
2255 1 15 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.210 0.489 19450
2256 1 15 . 1 1 5 5 LEU CA C 5 54.430 54.430 56.535 -2.105 19450
2257 1 15 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.291 1.070 19450
2258 1 15 . 1 1 5 5 LEU H H 5 9.373 9.373 8.663 0.710 19450
2259 1 15 . 1 1 6 6 ASN N N 6 117.782 117.782 116.450 1.332 19450
2260 1 15 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.832 0.086 19450
2261 1 15 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.505 0.512 19450
2262 1 15 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.480 2.435 19450
2263 1 15 . 1 1 6 6 ASN H H 6 7.398 7.398 7.581 -0.183 19450
2264 1 15 . 1 1 7 7 ALA N N 7 130.815 130.815 126.588 4.227 19450
2265 1 15 . 1 1 7 7 ALA HA H 7 4.152 4.152 4.007 0.145 19450
2266 1 15 . 1 1 7 7 ALA CA C 7 54.108 54.108 54.295 -0.187 19450
2267 1 15 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.551 -0.181 19450
2268 1 15 . 1 1 7 7 ALA H H 7 9.016 9.016 8.638 0.378 19450
2269 1 15 . 1 1 8 8 HIS N N 8 114.507 114.507 115.313 -0.806 19450
2270 1 15 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.226 0.109 19450
2271 1 15 . 1 1 8 8 HIS CA C 8 62.017 62.017 55.141 6.877 19450
2272 1 15 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.337 -2.741 19450
2273 1 15 . 1 1 8 8 HIS H H 8 9.346 9.346 7.904 1.442 19450
2274 1 15 . 1 1 9 9 CYS N N 9 116.419 116.419 119.048 -2.629 19450
2275 1 15 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.936 0.498 19450
2276 1 15 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.043 -3.254 19450
2277 1 15 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.288 10.645 19450
2278 1 15 . 1 1 9 9 CYS H H 9 7.505 7.505 7.835 -0.330 19450
2279 1 15 . 1 1 10 10 GLU N N 10 119.951 119.951 119.016 0.935 19450
2280 1 15 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.987 0.095 19450
2281 1 15 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.487 0.690 19450
2282 1 15 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.055 -0.908 19450
2283 1 15 . 1 1 10 10 GLU H H 10 8.848 8.848 8.191 0.657 19450
2284 1 15 . 1 1 11 11 MET N N 11 121.293 121.293 118.358 2.935 19450
2285 1 15 . 1 1 11 11 MET HA H 11 4.107 4.107 4.064 0.043 19450
2286 1 15 . 1 1 11 11 MET CA C 11 58.574 58.574 59.190 -0.616 19450
2287 1 15 . 1 1 11 11 MET CB C 11 31.841 31.841 32.214 -0.373 19450
2288 1 15 . 1 1 11 11 MET H H 11 7.920 7.920 7.846 0.074 19450
2289 1 15 . 1 1 12 12 TRP N N 12 118.764 118.764 119.172 -0.408 19450
2290 1 15 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.642 0.603 19450
2291 1 15 . 1 1 12 12 TRP CA C 12 58.110 58.110 56.511 1.599 19450
2292 1 15 . 1 1 12 12 TRP CB C 12 28.680 28.680 27.682 0.998 19450
2293 1 15 . 1 1 12 12 TRP H H 12 8.383 8.383 8.333 0.050 19450
2294 1 15 . 1 1 13 13 GLN N N 13 123.583 123.583 119.545 4.038 19450
2295 1 15 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.146 0.089 19450
2296 1 15 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.565 0.646 19450
2297 1 15 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.875 -0.986 19450
2298 1 15 . 1 1 13 13 GLN H H 13 9.051 9.051 8.802 0.249 19450
2299 1 15 . 1 1 14 14 GLN N N 14 114.111 114.111 119.751 -5.640 19450
2300 1 15 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.211 -0.236 19450
2301 1 15 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.352 0.583 19450
2302 1 15 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.576 -0.577 19450
2303 1 15 . 1 1 14 14 GLN H H 14 8.359 8.359 8.560 -0.201 19450
2304 1 15 . 1 1 15 15 LEU N N 15 117.658 117.658 119.024 -1.366 19450
2305 1 15 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.571 -0.100 19450
2306 1 15 . 1 1 15 15 LEU CA C 15 54.794 54.794 54.958 -0.164 19450
2307 1 15 . 1 1 15 15 LEU CB C 15 43.107 43.107 42.422 0.684 19450
2308 1 15 . 1 1 15 15 LEU H H 15 7.553 7.553 7.697 -0.144 19450
2309 1 15 . 1 1 16 16 GLY N N 16 106.380 106.380 106.377 0.003 19450
2310 1 15 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.477 0.783 19450
2311 1 15 . 1 1 16 16 GLY H H 16 7.859 7.859 7.920 -0.061 19450
2312 1 15 . 1 1 17 17 HIS N N 17 116.016 116.016 119.533 -3.517 19450
2313 1 15 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.351 -0.118 19450
2314 1 15 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.151 -1.239 19450
2315 1 15 . 1 1 17 17 HIS CB C 17 29.782 29.782 30.082 -0.300 19450
2316 1 15 . 1 1 17 17 HIS H H 17 8.606 8.606 9.323 -0.717 19450
2317 1 15 . 1 1 18 18 CYS N N 18 119.185 119.185 115.651 3.534 19450
2318 1 15 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.419 -0.399 19450
2319 1 15 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.610 -2.205 19450
2320 1 15 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.544 11.393 19450
2321 1 15 . 1 1 18 18 CYS H H 18 9.681 9.681 8.568 1.113 19450
2322 1 15 . 1 1 19 19 GLN N N 19 114.091 114.091 118.633 -4.542 19450
2323 1 15 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.011 0.273 19450
2324 1 15 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.456 -0.908 19450
2325 1 15 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.576 0.166 19450
2326 1 15 . 1 1 19 19 GLN H H 19 7.173 7.173 7.743 -0.570 19450
2327 1 15 . 1 1 20 20 TYR N N 20 116.340 116.340 115.757 0.583 19450
2328 1 15 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.631 0.002 19450
2329 1 15 . 1 1 20 20 TYR CA C 20 58.801 58.801 59.174 -0.373 19450
2330 1 15 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.721 -0.747 19450
2331 1 15 . 1 1 20 20 TYR H H 20 7.442 7.442 8.183 -0.741 19450
2332 1 15 . 1 1 21 21 SER N N 21 123.873 123.873 114.563 9.310 19450
2333 1 15 . 1 1 21 21 SER HA H 21 4.933 4.933 5.119 -0.186 19450
2334 1 15 . 1 1 21 21 SER CA C 21 54.779 54.779 54.770 0.009 19450
2335 1 15 . 1 1 21 21 SER CB C 21 63.040 63.040 63.505 -0.465 19450
2336 1 15 . 1 1 21 21 SER H H 21 8.372 8.372 8.532 -0.160 19450
2337 1 15 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.563 -0.320 19450
2338 1 15 . 1 1 22 22 PRO CA C 22 65.637 65.637 64.337 1.300 19450
2339 1 15 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.298 -0.458 19450
2340 1 15 . 1 1 23 23 LYS N N 23 121.196 121.196 118.441 2.755 19450
2341 1 15 . 1 1 23 23 LYS HA H 23 4.126 4.126 3.996 0.130 19450
2342 1 15 . 1 1 23 23 LYS CA C 23 59.531 59.531 59.045 0.486 19450
2343 1 15 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.678 -0.010 19450
2344 1 15 . 1 1 23 23 LYS H H 23 8.225 8.225 8.677 -0.452 19450
2345 1 15 . 1 1 24 24 TYR N N 24 120.716 120.716 114.106 6.610 19450
2346 1 15 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.829 -0.505 19450
2347 1 15 . 1 1 24 24 TYR CA C 24 55.347 55.347 59.036 -3.689 19450
2348 1 15 . 1 1 24 24 TYR CB C 24 39.369 39.369 39.088 0.281 19450
2349 1 15 . 1 1 24 24 TYR H H 24 8.318 8.318 7.553 0.765 19450
2350 1 15 . 1 1 25 25 MET N N 25 117.494 117.494 119.881 -2.387 19450
2351 1 15 . 1 1 25 25 MET HA H 25 4.344 4.344 4.567 -0.223 19450
2352 1 15 . 1 1 25 25 MET CA C 25 56.843 56.843 56.587 0.256 19450
2353 1 15 . 1 1 25 25 MET CB C 25 31.620 31.620 32.119 -0.499 19450
2354 1 15 . 1 1 25 25 MET H H 25 8.636 8.636 8.005 0.631 19450
2355 1 15 . 1 1 26 26 GLY N N 26 104.942 104.942 106.039 -1.097 19450
2356 1 15 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.278 -1.363 19450
2357 1 15 . 1 1 26 26 GLY H H 26 8.290 8.290 8.168 0.122 19450
2358 1 15 . 1 1 27 27 HIS N N 27 115.046 115.046 117.079 -2.033 19450
2359 1 15 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.485 0.081 19450
2360 1 15 . 1 1 27 27 HIS CA C 27 56.626 56.626 57.314 -0.688 19450
2361 1 15 . 1 1 27 27 HIS CB C 27 29.875 29.875 29.892 -0.017 19450
2362 1 15 . 1 1 27 27 HIS H H 27 7.206 7.206 8.338 -1.132 19450
2363 1 15 . 1 1 28 28 TYR N N 28 114.431 114.431 116.263 -1.832 19450
2364 1 15 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.588 -0.277 19450
2365 1 15 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.375 1.074 19450
2366 1 15 . 1 1 28 28 TYR CB C 28 40.662 40.662 41.914 -1.252 19450
2367 1 15 . 1 1 28 28 TYR H H 28 8.199 8.199 7.710 0.489 19450
2368 1 15 . 1 1 29 29 CYS N N 29 119.776 119.776 119.737 0.039 19450
2369 1 15 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.887 1.119 19450
2370 1 15 . 1 1 29 29 CYS CA C 29 51.384 51.384 58.427 -7.043 19450
2371 1 15 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.502 9.553 19450
2372 1 15 . 1 1 29 29 CYS H H 29 8.466 8.466 9.008 -0.542 19450
2373 1 15 . 1 1 30 30 LYS N N 30 119.011 119.011 124.898 -5.887 19450
2374 1 15 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.239 -0.645 19450
2375 1 15 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.477 2.767 19450
2376 1 15 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.460 1.780 19450
2377 1 15 . 1 1 30 30 LYS H H 30 8.872 8.872 8.762 0.110 19450
2378 1 15 . 1 1 31 31 LYS N N 31 117.963 117.963 120.527 -2.564 19450
2379 1 15 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.856 0.172 19450
2380 1 15 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.170 -0.201 19450
2381 1 15 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.881 0.444 19450
2382 1 15 . 1 1 31 31 LYS H H 31 7.183 7.183 8.446 -1.263 19450
2383 1 15 . 1 1 32 32 ALA N N 32 129.495 129.495 118.251 11.244 19450
2384 1 15 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.241 -0.127 19450
2385 1 15 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.471 1.674 19450
2386 1 15 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.529 -0.437 19450
2387 1 15 . 1 1 32 32 ALA H H 32 11.370 11.370 8.217 3.153 19450
2388 1 15 . 1 1 33 33 CYS N N 33 109.017 109.017 116.093 -7.076 19450
2389 1 15 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.634 0.261 19450
2390 1 15 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.036 -3.762 19450
2391 1 15 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.287 7.506 19450
2392 1 15 . 1 1 33 33 CYS H H 33 7.904 7.904 7.258 0.646 19450
2393 1 15 . 1 1 34 34 GLY N N 34 110.854 110.854 109.338 1.516 19450
2394 1 15 . 1 1 34 34 GLY CA C 34 47.128 47.128 45.666 1.462 19450
2395 1 15 . 1 1 34 34 GLY H H 34 8.130 8.130 8.669 -0.539 19450
2396 1 15 . 1 1 35 35 LEU N N 35 118.448 118.448 120.159 -1.711 19450
2397 1 15 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.506 -0.008 19450
2398 1 15 . 1 1 35 35 LEU CA C 35 54.259 54.259 56.132 -1.873 19450
2399 1 15 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.862 -0.994 19450
2400 1 15 . 1 1 35 35 LEU H H 35 8.601 8.601 7.893 0.708 19450
2401 1 16 . 1 1 2 2 CYS N N 2 126.377 126.377 125.811 0.566 19450
2402 1 16 . 1 1 2 2 CYS CB C 2 38.890 38.890 27.143 11.747 19450
2403 1 16 . 1 1 2 2 CYS H H 2 9.029 9.029 8.633 0.396 19450
2404 1 16 . 1 1 3 3 GLU N N 3 124.885 124.885 121.555 3.330 19450
2405 1 16 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.388 0.318 19450
2406 1 16 . 1 1 3 3 GLU CA C 3 55.882 55.882 55.208 0.674 19450
2407 1 16 . 1 1 3 3 GLU CB C 3 32.564 32.564 32.862 -0.298 19450
2408 1 16 . 1 1 3 3 GLU H H 3 8.376 8.376 8.329 0.047 19450
2409 1 16 . 1 1 4 4 ASP N N 4 121.930 121.930 120.831 1.099 19450
2410 1 16 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.671 0.477 19450
2411 1 16 . 1 1 4 4 ASP CA C 4 55.056 55.056 54.358 0.698 19450
2412 1 16 . 1 1 4 4 ASP CB C 4 43.228 43.228 40.085 3.143 19450
2413 1 16 . 1 1 4 4 ASP H H 4 8.876 8.876 8.679 0.197 19450
2414 1 16 . 1 1 5 5 LEU N N 5 119.092 119.092 122.963 -3.871 19450
2415 1 16 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.199 0.501 19450
2416 1 16 . 1 1 5 5 LEU CA C 5 54.430 54.430 56.716 -2.286 19450
2417 1 16 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.266 1.095 19450
2418 1 16 . 1 1 5 5 LEU H H 5 9.373 9.373 8.753 0.620 19450
2419 1 16 . 1 1 6 6 ASN N N 6 117.782 117.782 116.455 1.327 19450
2420 1 16 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.827 0.091 19450
2421 1 16 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.518 0.499 19450
2422 1 16 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.501 2.414 19450
2423 1 16 . 1 1 6 6 ASN H H 6 7.398 7.398 7.616 -0.218 19450
2424 1 16 . 1 1 7 7 ALA N N 7 130.815 130.815 127.257 3.558 19450
2425 1 16 . 1 1 7 7 ALA HA H 7 4.152 4.152 4.067 0.085 19450
2426 1 16 . 1 1 7 7 ALA CA C 7 54.108 54.108 54.167 -0.059 19450
2427 1 16 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.719 -0.349 19450
2428 1 16 . 1 1 7 7 ALA H H 7 9.016 9.016 8.684 0.332 19450
2429 1 16 . 1 1 8 8 HIS N N 8 114.507 114.507 115.293 -0.786 19450
2430 1 16 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.195 0.140 19450
2431 1 16 . 1 1 8 8 HIS CA C 8 62.017 62.017 55.354 6.663 19450
2432 1 16 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.397 -2.801 19450
2433 1 16 . 1 1 8 8 HIS H H 8 9.346 9.346 7.934 1.412 19450
2434 1 16 . 1 1 9 9 CYS N N 9 116.419 116.419 119.147 -2.728 19450
2435 1 16 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.951 0.483 19450
2436 1 16 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.224 -3.435 19450
2437 1 16 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.262 10.670 19450
2438 1 16 . 1 1 9 9 CYS H H 9 7.505 7.505 7.907 -0.402 19450
2439 1 16 . 1 1 10 10 GLU N N 10 119.951 119.951 119.359 0.592 19450
2440 1 16 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.913 0.169 19450
2441 1 16 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.656 0.521 19450
2442 1 16 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.252 -1.105 19450
2443 1 16 . 1 1 10 10 GLU H H 10 8.848 8.848 8.074 0.774 19450
2444 1 16 . 1 1 11 11 MET N N 11 121.293 121.293 117.473 3.820 19450
2445 1 16 . 1 1 11 11 MET HA H 11 4.107 4.107 4.224 -0.117 19450
2446 1 16 . 1 1 11 11 MET CA C 11 58.574 58.574 58.823 -0.249 19450
2447 1 16 . 1 1 11 11 MET CB C 11 31.841 31.841 32.170 -0.330 19450
2448 1 16 . 1 1 11 11 MET H H 11 7.920 7.920 7.928 -0.008 19450
2449 1 16 . 1 1 12 12 TRP N N 12 118.764 118.764 119.021 -0.257 19450
2450 1 16 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.661 0.584 19450
2451 1 16 . 1 1 12 12 TRP CA C 12 58.110 58.110 56.629 1.481 19450
2452 1 16 . 1 1 12 12 TRP CB C 12 28.680 28.680 28.007 0.673 19450
2453 1 16 . 1 1 12 12 TRP H H 12 8.383 8.383 7.899 0.484 19450
2454 1 16 . 1 1 13 13 GLN N N 13 123.583 123.583 119.628 3.955 19450
2455 1 16 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.140 0.095 19450
2456 1 16 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.612 0.599 19450
2457 1 16 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.757 -0.868 19450
2458 1 16 . 1 1 13 13 GLN H H 13 9.051 9.051 8.926 0.125 19450
2459 1 16 . 1 1 14 14 GLN N N 14 114.111 114.111 120.671 -6.560 19450
2460 1 16 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.141 -0.166 19450
2461 1 16 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.389 0.546 19450
2462 1 16 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.167 -0.168 19450
2463 1 16 . 1 1 14 14 GLN H H 14 8.359 8.359 8.286 0.073 19450
2464 1 16 . 1 1 15 15 LEU N N 15 117.658 117.658 116.655 1.003 19450
2465 1 16 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.502 -0.031 19450
2466 1 16 . 1 1 15 15 LEU CA C 15 54.794 54.794 54.749 0.044 19450
2467 1 16 . 1 1 15 15 LEU CB C 15 43.107 43.107 41.978 1.129 19450
2468 1 16 . 1 1 15 15 LEU H H 15 7.553 7.553 7.356 0.197 19450
2469 1 16 . 1 1 16 16 GLY N N 16 106.380 106.380 104.682 1.698 19450
2470 1 16 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.422 0.838 19450
2471 1 16 . 1 1 16 16 GLY H H 16 7.859 7.859 7.852 0.007 19450
2472 1 16 . 1 1 17 17 HIS N N 17 116.016 116.016 120.056 -4.040 19450
2473 1 16 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.281 -0.048 19450
2474 1 16 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.216 -1.304 19450
2475 1 16 . 1 1 17 17 HIS CB C 17 29.782 29.782 30.016 -0.234 19450
2476 1 16 . 1 1 17 17 HIS H H 17 8.606 8.606 9.162 -0.556 19450
2477 1 16 . 1 1 18 18 CYS N N 18 119.185 119.185 115.436 3.749 19450
2478 1 16 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.438 -0.418 19450
2479 1 16 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.578 -2.173 19450
2480 1 16 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.563 11.374 19450
2481 1 16 . 1 1 18 18 CYS H H 18 9.681 9.681 8.593 1.088 19450
2482 1 16 . 1 1 19 19 GLN N N 19 114.091 114.091 118.656 -4.565 19450
2483 1 16 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.023 0.261 19450
2484 1 16 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.445 -0.897 19450
2485 1 16 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.699 0.043 19450
2486 1 16 . 1 1 19 19 GLN H H 19 7.173 7.173 7.774 -0.601 19450
2487 1 16 . 1 1 20 20 TYR N N 20 116.340 116.340 115.888 0.452 19450
2488 1 16 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.667 -0.034 19450
2489 1 16 . 1 1 20 20 TYR CA C 20 58.801 58.801 59.320 -0.519 19450
2490 1 16 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.915 -0.941 19450
2491 1 16 . 1 1 20 20 TYR H H 20 7.442 7.442 8.508 -1.066 19450
2492 1 16 . 1 1 21 21 SER N N 21 123.873 123.873 115.218 8.655 19450
2493 1 16 . 1 1 21 21 SER HA H 21 4.933 4.933 5.089 -0.156 19450
2494 1 16 . 1 1 21 21 SER CA C 21 54.779 54.779 54.559 0.220 19450
2495 1 16 . 1 1 21 21 SER CB C 21 63.040 63.040 63.996 -0.956 19450
2496 1 16 . 1 1 21 21 SER H H 21 8.372 8.372 8.494 -0.122 19450
2497 1 16 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.569 -0.326 19450
2498 1 16 . 1 1 22 22 PRO CA C 22 65.637 65.637 64.204 1.433 19450
2499 1 16 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.276 -0.436 19450
2500 1 16 . 1 1 23 23 LYS N N 23 121.196 121.196 118.718 2.478 19450
2501 1 16 . 1 1 23 23 LYS HA H 23 4.126 4.126 3.963 0.163 19450
2502 1 16 . 1 1 23 23 LYS CA C 23 59.531 59.531 59.044 0.487 19450
2503 1 16 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.544 0.124 19450
2504 1 16 . 1 1 23 23 LYS H H 23 8.225 8.225 8.628 -0.403 19450
2505 1 16 . 1 1 24 24 TYR N N 24 120.716 120.716 113.689 7.027 19450
2506 1 16 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.779 -0.455 19450
2507 1 16 . 1 1 24 24 TYR CA C 24 55.347 55.347 58.861 -3.514 19450
2508 1 16 . 1 1 24 24 TYR CB C 24 39.369 39.369 39.028 0.341 19450
2509 1 16 . 1 1 24 24 TYR H H 24 8.318 8.318 7.406 0.912 19450
2510 1 16 . 1 1 25 25 MET N N 25 117.494 117.494 118.937 -1.443 19450
2511 1 16 . 1 1 25 25 MET HA H 25 4.344 4.344 4.648 -0.304 19450
2512 1 16 . 1 1 25 25 MET CA C 25 56.843 56.843 55.792 1.051 19450
2513 1 16 . 1 1 25 25 MET CB C 25 31.620 31.620 32.515 -0.895 19450
2514 1 16 . 1 1 25 25 MET H H 25 8.636 8.636 7.681 0.955 19450
2515 1 16 . 1 1 26 26 GLY N N 26 104.942 104.942 106.302 -1.360 19450
2516 1 16 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.303 -1.388 19450
2517 1 16 . 1 1 26 26 GLY H H 26 8.290 8.290 8.342 -0.052 19450
2518 1 16 . 1 1 27 27 HIS N N 27 115.046 115.046 117.441 -2.395 19450
2519 1 16 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.527 0.039 19450
2520 1 16 . 1 1 27 27 HIS CA C 27 56.626 56.626 57.327 -0.701 19450
2521 1 16 . 1 1 27 27 HIS CB C 27 29.875 29.875 30.093 -0.218 19450
2522 1 16 . 1 1 27 27 HIS H H 27 7.206 7.206 8.451 -1.245 19450
2523 1 16 . 1 1 28 28 TYR N N 28 114.431 114.431 116.133 -1.702 19450
2524 1 16 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.627 -0.316 19450
2525 1 16 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.142 1.307 19450
2526 1 16 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.302 -1.640 19450
2527 1 16 . 1 1 28 28 TYR H H 28 8.199 8.199 7.730 0.469 19450
2528 1 16 . 1 1 29 29 CYS N N 29 119.776 119.776 120.025 -0.249 19450
2529 1 16 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.902 1.104 19450
2530 1 16 . 1 1 29 29 CYS CA C 29 51.384 51.384 58.526 -7.142 19450
2531 1 16 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.482 9.573 19450
2532 1 16 . 1 1 29 29 CYS H H 29 8.466 8.466 9.054 -0.588 19450
2533 1 16 . 1 1 30 30 LYS N N 30 119.011 119.011 125.453 -6.442 19450
2534 1 16 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.262 -0.668 19450
2535 1 16 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.513 2.731 19450
2536 1 16 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.642 1.598 19450
2537 1 16 . 1 1 30 30 LYS H H 30 8.872 8.872 8.683 0.189 19450
2538 1 16 . 1 1 31 31 LYS N N 31 117.963 117.963 120.007 -2.044 19450
2539 1 16 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.876 0.152 19450
2540 1 16 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.213 -0.244 19450
2541 1 16 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.809 0.516 19450
2542 1 16 . 1 1 31 31 LYS H H 31 7.183 7.183 8.441 -1.258 19450
2543 1 16 . 1 1 32 32 ALA N N 32 129.495 129.495 118.651 10.844 19450
2544 1 16 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.285 -0.171 19450
2545 1 16 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.217 1.928 19450
2546 1 16 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.459 -0.367 19450
2547 1 16 . 1 1 32 32 ALA H H 32 11.370 11.370 8.206 3.164 19450
2548 1 16 . 1 1 33 33 CYS N N 33 109.017 109.017 115.772 -6.755 19450
2549 1 16 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.588 0.307 19450
2550 1 16 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.431 -4.157 19450
2551 1 16 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.574 7.219 19450
2552 1 16 . 1 1 33 33 CYS H H 33 7.904 7.904 7.396 0.508 19450
2553 1 16 . 1 1 34 34 GLY N N 34 110.854 110.854 109.351 1.503 19450
2554 1 16 . 1 1 34 34 GLY CA C 34 47.128 47.128 46.151 0.977 19450
2555 1 16 . 1 1 34 34 GLY H H 34 8.130 8.130 8.657 -0.527 19450
2556 1 16 . 1 1 35 35 LEU N N 35 118.448 118.448 119.922 -1.474 19450
2557 1 16 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.258 0.240 19450
2558 1 16 . 1 1 35 35 LEU CA C 35 54.259 54.259 56.145 -1.886 19450
2559 1 16 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.163 -0.295 19450
2560 1 16 . 1 1 35 35 LEU H H 35 8.601 8.601 7.619 0.982 19450
2561 1 17 . 1 1 2 2 CYS N N 2 126.377 126.377 122.592 3.785 19450
2562 1 17 . 1 1 2 2 CYS CB C 2 38.890 38.890 27.413 11.476 19450
2563 1 17 . 1 1 2 2 CYS H H 2 9.029 9.029 8.356 0.673 19450
2564 1 17 . 1 1 3 3 GLU N N 3 124.885 124.885 122.136 2.749 19450
2565 1 17 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.364 0.342 19450
2566 1 17 . 1 1 3 3 GLU CA C 3 55.882 55.882 55.012 0.870 19450
2567 1 17 . 1 1 3 3 GLU CB C 3 32.564 32.564 32.640 -0.076 19450
2568 1 17 . 1 1 3 3 GLU H H 3 8.376 8.376 8.420 -0.044 19450
2569 1 17 . 1 1 4 4 ASP N N 4 121.930 121.930 120.790 1.140 19450
2570 1 17 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.615 0.533 19450
2571 1 17 . 1 1 4 4 ASP CA C 4 55.056 55.056 54.482 0.574 19450
2572 1 17 . 1 1 4 4 ASP CB C 4 43.228 43.228 40.681 2.546 19450
2573 1 17 . 1 1 4 4 ASP H H 4 8.876 8.876 8.709 0.167 19450
2574 1 17 . 1 1 5 5 LEU N N 5 119.092 119.092 121.857 -2.765 19450
2575 1 17 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.392 0.308 19450
2576 1 17 . 1 1 5 5 LEU CA C 5 54.430 54.430 54.955 -0.525 19450
2577 1 17 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.650 0.711 19450
2578 1 17 . 1 1 5 5 LEU H H 5 9.373 9.373 8.472 0.901 19450
2579 1 17 . 1 1 6 6 ASN N N 6 117.782 117.782 117.982 -0.200 19450
2580 1 17 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.795 0.123 19450
2581 1 17 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.446 0.571 19450
2582 1 17 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.884 2.031 19450
2583 1 17 . 1 1 6 6 ASN H H 6 7.398 7.398 7.670 -0.273 19450
2584 1 17 . 1 1 7 7 ALA N N 7 130.815 130.815 127.940 2.875 19450
2585 1 17 . 1 1 7 7 ALA HA H 7 4.152 4.152 4.058 0.094 19450
2586 1 17 . 1 1 7 7 ALA CA C 7 54.108 54.108 53.918 0.190 19450
2587 1 17 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.622 -0.252 19450
2588 1 17 . 1 1 7 7 ALA H H 7 9.016 9.016 8.714 0.302 19450
2589 1 17 . 1 1 8 8 HIS N N 8 114.507 114.507 114.550 -0.043 19450
2590 1 17 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.280 0.055 19450
2591 1 17 . 1 1 8 8 HIS CA C 8 62.017 62.017 54.772 7.245 19450
2592 1 17 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.526 -2.930 19450
2593 1 17 . 1 1 8 8 HIS H H 8 9.346 9.346 7.798 1.548 19450
2594 1 17 . 1 1 9 9 CYS N N 9 116.419 116.419 119.342 -2.923 19450
2595 1 17 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.883 0.551 19450
2596 1 17 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.481 -3.692 19450
2597 1 17 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.563 10.369 19450
2598 1 17 . 1 1 9 9 CYS H H 9 7.505 7.505 7.967 -0.462 19450
2599 1 17 . 1 1 10 10 GLU N N 10 119.951 119.951 118.903 1.048 19450
2600 1 17 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.936 0.146 19450
2601 1 17 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.706 0.471 19450
2602 1 17 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.321 -1.174 19450
2603 1 17 . 1 1 10 10 GLU H H 10 8.848 8.848 8.393 0.455 19450
2604 1 17 . 1 1 11 11 MET N N 11 121.293 121.293 116.955 4.338 19450
2605 1 17 . 1 1 11 11 MET HA H 11 4.107 4.107 4.301 -0.194 19450
2606 1 17 . 1 1 11 11 MET CA C 11 58.574 58.574 57.828 0.747 19450
2607 1 17 . 1 1 11 11 MET CB C 11 31.841 31.841 31.159 0.682 19450
2608 1 17 . 1 1 11 11 MET H H 11 7.920 7.920 8.024 -0.104 19450
2609 1 17 . 1 1 12 12 TRP N N 12 118.764 118.764 119.075 -0.311 19450
2610 1 17 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.887 0.358 19450
2611 1 17 . 1 1 12 12 TRP CA C 12 58.110 58.110 56.296 1.814 19450
2612 1 17 . 1 1 12 12 TRP CB C 12 28.680 28.680 27.849 0.831 19450
2613 1 17 . 1 1 12 12 TRP H H 12 8.383 8.383 8.171 0.212 19450
2614 1 17 . 1 1 13 13 GLN N N 13 123.583 123.583 119.778 3.805 19450
2615 1 17 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.158 0.077 19450
2616 1 17 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.594 0.616 19450
2617 1 17 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.771 -0.882 19450
2618 1 17 . 1 1 13 13 GLN H H 13 9.051 9.051 8.783 0.268 19450
2619 1 17 . 1 1 14 14 GLN N N 14 114.111 114.111 120.558 -6.447 19450
2620 1 17 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.151 -0.176 19450
2621 1 17 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.362 0.573 19450
2622 1 17 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.224 -0.225 19450
2623 1 17 . 1 1 14 14 GLN H H 14 8.359 8.359 8.417 -0.058 19450
2624 1 17 . 1 1 15 15 LEU N N 15 117.658 117.658 116.987 0.671 19450
2625 1 17 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.577 -0.106 19450
2626 1 17 . 1 1 15 15 LEU CA C 15 54.794 54.794 54.708 0.086 19450
2627 1 17 . 1 1 15 15 LEU CB C 15 43.107 43.107 42.122 0.985 19450
2628 1 17 . 1 1 15 15 LEU H H 15 7.553 7.553 7.334 0.219 19450
2629 1 17 . 1 1 16 16 GLY N N 16 106.380 106.380 105.000 1.380 19450
2630 1 17 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.426 0.834 19450
2631 1 17 . 1 1 16 16 GLY H H 16 7.859 7.859 7.929 -0.070 19450
2632 1 17 . 1 1 17 17 HIS N N 17 116.016 116.016 119.753 -3.737 19450
2633 1 17 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.310 -0.077 19450
2634 1 17 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.360 -1.448 19450
2635 1 17 . 1 1 17 17 HIS CB C 17 29.782 29.782 30.080 -0.298 19450
2636 1 17 . 1 1 17 17 HIS H H 17 8.606 8.606 9.163 -0.557 19450
2637 1 17 . 1 1 18 18 CYS N N 18 119.185 119.185 115.349 3.836 19450
2638 1 17 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.436 -0.416 19450
2639 1 17 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.465 -2.060 19450
2640 1 17 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.623 11.314 19450
2641 1 17 . 1 1 18 18 CYS H H 18 9.681 9.681 8.556 1.125 19450
2642 1 17 . 1 1 19 19 GLN N N 19 114.091 114.091 118.640 -4.549 19450
2643 1 17 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.006 0.278 19450
2644 1 17 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.456 -0.908 19450
2645 1 17 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.579 0.163 19450
2646 1 17 . 1 1 19 19 GLN H H 19 7.173 7.173 7.719 -0.546 19450
2647 1 17 . 1 1 20 20 TYR N N 20 116.340 116.340 115.901 0.439 19450
2648 1 17 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.640 -0.007 19450
2649 1 17 . 1 1 20 20 TYR CA C 20 58.801 58.801 59.095 -0.294 19450
2650 1 17 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.743 -0.770 19450
2651 1 17 . 1 1 20 20 TYR H H 20 7.442 7.442 8.251 -0.809 19450
2652 1 17 . 1 1 21 21 SER N N 21 123.873 123.873 114.233 9.640 19450
2653 1 17 . 1 1 21 21 SER HA H 21 4.933 4.933 5.055 -0.122 19450
2654 1 17 . 1 1 21 21 SER CA C 21 54.779 54.779 54.832 -0.053 19450
2655 1 17 . 1 1 21 21 SER CB C 21 63.040 63.040 64.062 -1.022 19450
2656 1 17 . 1 1 21 21 SER H H 21 8.372 8.372 8.442 -0.070 19450
2657 1 17 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.574 -0.331 19450
2658 1 17 . 1 1 22 22 PRO CA C 22 65.637 65.637 63.898 1.739 19450
2659 1 17 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.188 -0.348 19450
2660 1 17 . 1 1 23 23 LYS N N 23 121.196 121.196 119.520 1.676 19450
2661 1 17 . 1 1 23 23 LYS HA H 23 4.126 4.126 3.980 0.146 19450
2662 1 17 . 1 1 23 23 LYS CA C 23 59.531 59.531 58.852 0.679 19450
2663 1 17 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.781 -0.113 19450
2664 1 17 . 1 1 23 23 LYS H H 23 8.225 8.225 8.503 -0.278 19450
2665 1 17 . 1 1 24 24 TYR N N 24 120.716 120.716 113.711 7.005 19450
2666 1 17 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.805 -0.481 19450
2667 1 17 . 1 1 24 24 TYR CA C 24 55.347 55.347 58.889 -3.542 19450
2668 1 17 . 1 1 24 24 TYR CB C 24 39.369 39.369 39.330 0.039 19450
2669 1 17 . 1 1 24 24 TYR H H 24 8.318 8.318 7.493 0.825 19450
2670 1 17 . 1 1 25 25 MET N N 25 117.494 117.494 118.918 -1.424 19450
2671 1 17 . 1 1 25 25 MET HA H 25 4.344 4.344 4.689 -0.345 19450
2672 1 17 . 1 1 25 25 MET CA C 25 56.843 56.843 56.145 0.698 19450
2673 1 17 . 1 1 25 25 MET CB C 25 31.620 31.620 32.499 -0.879 19450
2674 1 17 . 1 1 25 25 MET H H 25 8.636 8.636 7.703 0.933 19450
2675 1 17 . 1 1 26 26 GLY N N 26 104.942 104.942 106.247 -1.305 19450
2676 1 17 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.188 -1.273 19450
2677 1 17 . 1 1 26 26 GLY H H 26 8.290 8.290 8.079 0.211 19450
2678 1 17 . 1 1 27 27 HIS N N 27 115.046 115.046 117.264 -2.218 19450
2679 1 17 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.508 0.058 19450
2680 1 17 . 1 1 27 27 HIS CA C 27 56.626 56.626 57.101 -0.475 19450
2681 1 17 . 1 1 27 27 HIS CB C 27 29.875 29.875 29.875 0.000 19450
2682 1 17 . 1 1 27 27 HIS H H 27 7.206 7.206 8.364 -1.158 19450
2683 1 17 . 1 1 28 28 TYR N N 28 114.431 114.431 116.634 -2.203 19450
2684 1 17 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.727 -0.416 19450
2685 1 17 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.101 1.348 19450
2686 1 17 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.663 -2.001 19450
2687 1 17 . 1 1 28 28 TYR H H 28 8.199 8.199 7.800 0.399 19450
2688 1 17 . 1 1 29 29 CYS N N 29 119.776 119.776 119.288 0.488 19450
2689 1 17 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.823 1.183 19450
2690 1 17 . 1 1 29 29 CYS CA C 29 51.384 51.384 57.977 -6.593 19450
2691 1 17 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.214 9.841 19450
2692 1 17 . 1 1 29 29 CYS H H 29 8.466 8.466 9.050 -0.584 19450
2693 1 17 . 1 1 30 30 LYS N N 30 119.011 119.011 125.137 -6.126 19450
2694 1 17 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.239 -0.645 19450
2695 1 17 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.510 2.734 19450
2696 1 17 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.581 1.659 19450
2697 1 17 . 1 1 30 30 LYS H H 30 8.872 8.872 8.003 0.869 19450
2698 1 17 . 1 1 31 31 LYS N N 31 117.963 117.963 120.361 -2.398 19450
2699 1 17 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.889 0.139 19450
2700 1 17 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.290 -0.321 19450
2701 1 17 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.664 0.661 19450
2702 1 17 . 1 1 31 31 LYS H H 31 7.183 7.183 8.455 -1.272 19450
2703 1 17 . 1 1 32 32 ALA N N 32 129.495 129.495 119.637 9.858 19450
2704 1 17 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.285 -0.171 19450
2705 1 17 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.382 1.763 19450
2706 1 17 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.603 -0.511 19450
2707 1 17 . 1 1 32 32 ALA H H 32 11.370 11.370 8.303 3.067 19450
2708 1 17 . 1 1 33 33 CYS N N 33 109.017 109.017 115.561 -6.544 19450
2709 1 17 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.656 0.239 19450
2710 1 17 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.078 -3.804 19450
2711 1 17 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.231 7.562 19450
2712 1 17 . 1 1 33 33 CYS H H 33 7.904 7.904 7.437 0.467 19450
2713 1 17 . 1 1 34 34 GLY N N 34 110.854 110.854 109.264 1.590 19450
2714 1 17 . 1 1 34 34 GLY CA C 34 47.128 47.128 46.014 1.114 19450
2715 1 17 . 1 1 34 34 GLY H H 34 8.130 8.130 8.646 -0.516 19450
2716 1 17 . 1 1 35 35 LEU N N 35 118.448 118.448 119.897 -1.449 19450
2717 1 17 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.282 0.216 19450
2718 1 17 . 1 1 35 35 LEU CA C 35 54.259 54.259 56.086 -1.827 19450
2719 1 17 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.186 -0.318 19450
2720 1 17 . 1 1 35 35 LEU H H 35 8.601 8.601 7.543 1.058 19450
2721 1 18 . 1 1 2 2 CYS N N 2 126.377 126.377 123.191 3.186 19450
2722 1 18 . 1 1 2 2 CYS CB C 2 38.890 38.890 28.045 10.845 19450
2723 1 18 . 1 1 2 2 CYS H H 2 9.029 9.029 8.512 0.517 19450
2724 1 18 . 1 1 3 3 GLU N N 3 124.885 124.885 122.321 2.564 19450
2725 1 18 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.340 0.366 19450
2726 1 18 . 1 1 3 3 GLU CA C 3 55.882 55.882 55.140 0.742 19450
2727 1 18 . 1 1 3 3 GLU CB C 3 32.564 32.564 32.208 0.356 19450
2728 1 18 . 1 1 3 3 GLU H H 3 8.376 8.376 8.291 0.085 19450
2729 1 18 . 1 1 4 4 ASP N N 4 121.930 121.930 119.769 2.161 19450
2730 1 18 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.649 0.499 19450
2731 1 18 . 1 1 4 4 ASP CA C 4 55.056 55.056 54.665 0.391 19450
2732 1 18 . 1 1 4 4 ASP CB C 4 43.228 43.228 40.965 2.263 19450
2733 1 18 . 1 1 4 4 ASP H H 4 8.876 8.876 8.686 0.190 19450
2734 1 18 . 1 1 5 5 LEU N N 5 119.092 119.092 121.120 -2.028 19450
2735 1 18 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.404 0.296 19450
2736 1 18 . 1 1 5 5 LEU CA C 5 54.430 54.430 54.886 -0.457 19450
2737 1 18 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.690 0.671 19450
2738 1 18 . 1 1 5 5 LEU H H 5 9.373 9.373 8.096 1.277 19450
2739 1 18 . 1 1 6 6 ASN N N 6 117.782 117.782 117.559 0.223 19450
2740 1 18 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.811 0.107 19450
2741 1 18 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.202 0.815 19450
2742 1 18 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.726 2.189 19450
2743 1 18 . 1 1 6 6 ASN H H 6 7.398 7.398 7.587 -0.189 19450
2744 1 18 . 1 1 7 7 ALA N N 7 130.815 130.815 127.370 3.445 19450
2745 1 18 . 1 1 7 7 ALA HA H 7 4.152 4.152 4.009 0.143 19450
2746 1 18 . 1 1 7 7 ALA CA C 7 54.108 54.108 54.180 -0.072 19450
2747 1 18 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.448 -0.077 19450
2748 1 18 . 1 1 7 7 ALA H H 7 9.016 9.016 8.577 0.439 19450
2749 1 18 . 1 1 8 8 HIS N N 8 114.507 114.507 114.504 0.003 19450
2750 1 18 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.266 0.069 19450
2751 1 18 . 1 1 8 8 HIS CA C 8 62.017 62.017 55.043 6.974 19450
2752 1 18 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.355 -2.759 19450
2753 1 18 . 1 1 8 8 HIS H H 8 9.346 9.346 7.747 1.599 19450
2754 1 18 . 1 1 9 9 CYS N N 9 116.419 116.419 119.374 -2.955 19450
2755 1 18 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.939 0.495 19450
2756 1 18 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.357 -3.568 19450
2757 1 18 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.427 10.505 19450
2758 1 18 . 1 1 9 9 CYS H H 9 7.505 7.505 7.785 -0.280 19450
2759 1 18 . 1 1 10 10 GLU N N 10 119.951 119.951 119.044 0.907 19450
2760 1 18 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.923 0.159 19450
2761 1 18 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.691 0.486 19450
2762 1 18 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.272 -1.125 19450
2763 1 18 . 1 1 10 10 GLU H H 10 8.848 8.848 8.274 0.574 19450
2764 1 18 . 1 1 11 11 MET N N 11 121.293 121.293 118.156 3.137 19450
2765 1 18 . 1 1 11 11 MET HA H 11 4.107 4.107 4.029 0.078 19450
2766 1 18 . 1 1 11 11 MET CA C 11 58.574 58.574 59.006 -0.432 19450
2767 1 18 . 1 1 11 11 MET CB C 11 31.841 31.841 32.178 -0.337 19450
2768 1 18 . 1 1 11 11 MET H H 11 7.920 7.920 7.920 -0.000 19450
2769 1 18 . 1 1 12 12 TRP N N 12 118.764 118.764 118.945 -0.181 19450
2770 1 18 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.542 0.703 19450
2771 1 18 . 1 1 12 12 TRP CA C 12 58.110 58.110 56.785 1.325 19450
2772 1 18 . 1 1 12 12 TRP CB C 12 28.680 28.680 27.777 0.903 19450
2773 1 18 . 1 1 12 12 TRP H H 12 8.383 8.383 8.353 0.030 19450
2774 1 18 . 1 1 13 13 GLN N N 13 123.583 123.583 119.561 4.022 19450
2775 1 18 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.143 0.092 19450
2776 1 18 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.603 0.608 19450
2777 1 18 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.919 -1.030 19450
2778 1 18 . 1 1 13 13 GLN H H 13 9.051 9.051 8.726 0.325 19450
2779 1 18 . 1 1 14 14 GLN N N 14 114.111 114.111 120.277 -6.166 19450
2780 1 18 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.170 -0.195 19450
2781 1 18 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.294 0.641 19450
2782 1 18 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.461 -0.462 19450
2783 1 18 . 1 1 14 14 GLN H H 14 8.359 8.359 8.489 -0.130 19450
2784 1 18 . 1 1 15 15 LEU N N 15 117.658 117.658 118.928 -1.270 19450
2785 1 18 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.552 -0.081 19450
2786 1 18 . 1 1 15 15 LEU CA C 15 54.794 54.794 55.010 -0.216 19450
2787 1 18 . 1 1 15 15 LEU CB C 15 43.107 43.107 42.416 0.690 19450
2788 1 18 . 1 1 15 15 LEU H H 15 7.553 7.553 7.686 -0.133 19450
2789 1 18 . 1 1 16 16 GLY N N 16 106.380 106.380 106.294 0.086 19450
2790 1 18 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.490 0.770 19450
2791 1 18 . 1 1 16 16 GLY H H 16 7.859 7.859 7.920 -0.061 19450
2792 1 18 . 1 1 17 17 HIS N N 17 116.016 116.016 119.740 -3.724 19450
2793 1 18 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.315 -0.082 19450
2794 1 18 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.198 -1.286 19450
2795 1 18 . 1 1 17 17 HIS CB C 17 29.782 29.782 30.041 -0.259 19450
2796 1 18 . 1 1 17 17 HIS H H 17 8.606 8.606 9.270 -0.663 19450
2797 1 18 . 1 1 18 18 CYS N N 18 119.185 119.185 116.886 2.299 19450
2798 1 18 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.473 -0.453 19450
2799 1 18 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.645 -2.240 19450
2800 1 18 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.743 11.194 19450
2801 1 18 . 1 1 18 18 CYS H H 18 9.681 9.681 8.691 0.990 19450
2802 1 18 . 1 1 19 19 GLN N N 19 114.091 114.091 118.701 -4.610 19450
2803 1 18 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.060 0.224 19450
2804 1 18 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.362 -0.814 19450
2805 1 18 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.615 0.127 19450
2806 1 18 . 1 1 19 19 GLN H H 19 7.173 7.173 7.755 -0.582 19450
2807 1 18 . 1 1 20 20 TYR N N 20 116.340 116.340 116.142 0.198 19450
2808 1 18 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.635 -0.002 19450
2809 1 18 . 1 1 20 20 TYR CA C 20 58.801 58.801 59.458 -0.657 19450
2810 1 18 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.852 -0.878 19450
2811 1 18 . 1 1 20 20 TYR H H 20 7.442 7.442 8.070 -0.628 19450
2812 1 18 . 1 1 21 21 SER N N 21 123.873 123.873 114.482 9.391 19450
2813 1 18 . 1 1 21 21 SER HA H 21 4.933 4.933 5.129 -0.196 19450
2814 1 18 . 1 1 21 21 SER CA C 21 54.779 54.779 54.322 0.457 19450
2815 1 18 . 1 1 21 21 SER CB C 21 63.040 63.040 63.981 -0.941 19450
2816 1 18 . 1 1 21 21 SER H H 21 8.372 8.372 8.539 -0.167 19450
2817 1 18 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.557 -0.314 19450
2818 1 18 . 1 1 22 22 PRO CA C 22 65.637 65.637 64.288 1.349 19450
2819 1 18 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.231 -0.391 19450
2820 1 18 . 1 1 23 23 LYS N N 23 121.196 121.196 118.537 2.659 19450
2821 1 18 . 1 1 23 23 LYS HA H 23 4.126 4.126 3.996 0.130 19450
2822 1 18 . 1 1 23 23 LYS CA C 23 59.531 59.531 59.062 0.469 19450
2823 1 18 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.659 0.009 19450
2824 1 18 . 1 1 23 23 LYS H H 23 8.225 8.225 8.671 -0.446 19450
2825 1 18 . 1 1 24 24 TYR N N 24 120.716 120.716 114.158 6.558 19450
2826 1 18 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.832 -0.508 19450
2827 1 18 . 1 1 24 24 TYR CA C 24 55.347 55.347 59.071 -3.724 19450
2828 1 18 . 1 1 24 24 TYR CB C 24 39.369 39.369 39.126 0.243 19450
2829 1 18 . 1 1 24 24 TYR H H 24 8.318 8.318 7.531 0.787 19450
2830 1 18 . 1 1 25 25 MET N N 25 117.494 117.494 119.951 -2.457 19450
2831 1 18 . 1 1 25 25 MET HA H 25 4.344 4.344 4.566 -0.222 19450
2832 1 18 . 1 1 25 25 MET CA C 25 56.843 56.843 56.764 0.079 19450
2833 1 18 . 1 1 25 25 MET CB C 25 31.620 31.620 32.135 -0.515 19450
2834 1 18 . 1 1 25 25 MET H H 25 8.636 8.636 8.003 0.633 19450
2835 1 18 . 1 1 26 26 GLY N N 26 104.942 104.942 105.680 -0.738 19450
2836 1 18 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.487 -1.573 19450
2837 1 18 . 1 1 26 26 GLY H H 26 8.290 8.290 8.134 0.156 19450
2838 1 18 . 1 1 27 27 HIS N N 27 115.046 115.046 117.791 -2.745 19450
2839 1 18 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.511 0.055 19450
2840 1 18 . 1 1 27 27 HIS CA C 27 56.626 56.626 57.168 -0.542 19450
2841 1 18 . 1 1 27 27 HIS CB C 27 29.875 29.875 30.071 -0.196 19450
2842 1 18 . 1 1 27 27 HIS H H 27 7.206 7.206 8.358 -1.152 19450
2843 1 18 . 1 1 28 28 TYR N N 28 114.431 114.431 116.235 -1.804 19450
2844 1 18 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.648 -0.337 19450
2845 1 18 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.220 1.229 19450
2846 1 18 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.178 -1.516 19450
2847 1 18 . 1 1 28 28 TYR H H 28 8.199 8.199 7.697 0.502 19450
2848 1 18 . 1 1 29 29 CYS N N 29 119.776 119.776 119.657 0.119 19450
2849 1 18 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.836 1.170 19450
2850 1 18 . 1 1 29 29 CYS CA C 29 51.384 51.384 58.380 -6.995 19450
2851 1 18 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.506 9.549 19450
2852 1 18 . 1 1 29 29 CYS H H 29 8.466 8.466 9.075 -0.609 19450
2853 1 18 . 1 1 30 30 LYS N N 30 119.011 119.011 125.456 -6.445 19450
2854 1 18 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.262 -0.668 19450
2855 1 18 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.486 2.758 19450
2856 1 18 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.656 1.584 19450
2857 1 18 . 1 1 30 30 LYS H H 30 8.872 8.872 8.678 0.194 19450
2858 1 18 . 1 1 31 31 LYS N N 31 117.963 117.963 120.249 -2.286 19450
2859 1 18 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.878 0.150 19450
2860 1 18 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.319 -0.350 19450
2861 1 18 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.685 0.640 19450
2862 1 18 . 1 1 31 31 LYS H H 31 7.183 7.183 8.449 -1.266 19450
2863 1 18 . 1 1 32 32 ALA N N 32 129.495 129.495 119.277 10.218 19450
2864 1 18 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.239 -0.125 19450
2865 1 18 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.603 1.542 19450
2866 1 18 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.613 -0.521 19450
2867 1 18 . 1 1 32 32 ALA H H 32 11.370 11.370 8.298 3.072 19450
2868 1 18 . 1 1 33 33 CYS N N 33 109.017 109.017 115.375 -6.358 19450
2869 1 18 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.662 0.233 19450
2870 1 18 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.029 -3.755 19450
2871 1 18 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.046 7.747 19450
2872 1 18 . 1 1 33 33 CYS H H 33 7.904 7.904 7.183 0.721 19450
2873 1 18 . 1 1 34 34 GLY N N 34 110.854 110.854 110.361 0.493 19450
2874 1 18 . 1 1 34 34 GLY CA C 34 47.128 47.128 46.098 1.030 19450
2875 1 18 . 1 1 34 34 GLY H H 34 8.130 8.130 8.786 -0.656 19450
2876 1 18 . 1 1 35 35 LEU N N 35 118.448 118.448 118.919 -0.471 19450
2877 1 18 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.575 -0.077 19450
2878 1 18 . 1 1 35 35 LEU CA C 35 54.259 54.259 55.557 -1.298 19450
2879 1 18 . 1 1 35 35 LEU CB C 35 41.868 41.868 43.037 -1.169 19450
2880 1 18 . 1 1 35 35 LEU H H 35 8.601 8.601 7.824 0.777 19450
2881 1 19 . 1 1 2 2 CYS N N 2 126.377 126.377 123.247 3.130 19450
2882 1 19 . 1 1 2 2 CYS CB C 2 38.890 38.890 28.390 10.501 19450
2883 1 19 . 1 1 2 2 CYS H H 2 9.029 9.029 8.497 0.532 19450
2884 1 19 . 1 1 3 3 GLU N N 3 124.885 124.885 122.569 2.316 19450
2885 1 19 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.321 0.385 19450
2886 1 19 . 1 1 3 3 GLU CA C 3 55.882 55.882 55.136 0.746 19450
2887 1 19 . 1 1 3 3 GLU CB C 3 32.564 32.564 32.267 0.297 19450
2888 1 19 . 1 1 3 3 GLU H H 3 8.376 8.376 8.346 0.030 19450
2889 1 19 . 1 1 4 4 ASP N N 4 121.930 121.930 120.271 1.659 19450
2890 1 19 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.706 0.442 19450
2891 1 19 . 1 1 4 4 ASP CA C 4 55.056 55.056 54.348 0.708 19450
2892 1 19 . 1 1 4 4 ASP CB C 4 43.228 43.228 40.140 3.088 19450
2893 1 19 . 1 1 4 4 ASP H H 4 8.876 8.876 8.632 0.244 19450
2894 1 19 . 1 1 5 5 LEU N N 5 119.092 119.092 123.217 -4.125 19450
2895 1 19 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.188 0.512 19450
2896 1 19 . 1 1 5 5 LEU CA C 5 54.430 54.430 56.557 -2.127 19450
2897 1 19 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.217 1.144 19450
2898 1 19 . 1 1 5 5 LEU H H 5 9.373 9.373 8.677 0.696 19450
2899 1 19 . 1 1 6 6 ASN N N 6 117.782 117.782 116.832 0.950 19450
2900 1 19 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.785 0.133 19450
2901 1 19 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.160 0.857 19450
2902 1 19 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.547 2.368 19450
2903 1 19 . 1 1 6 6 ASN H H 6 7.398 7.398 7.554 -0.156 19450
2904 1 19 . 1 1 7 7 ALA N N 7 130.815 130.815 127.290 3.525 19450
2905 1 19 . 1 1 7 7 ALA HA H 7 4.152 4.152 4.081 0.071 19450
2906 1 19 . 1 1 7 7 ALA CA C 7 54.108 54.108 54.086 0.022 19450
2907 1 19 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.526 -0.156 19450
2908 1 19 . 1 1 7 7 ALA H H 7 9.016 9.016 8.554 0.462 19450
2909 1 19 . 1 1 8 8 HIS N N 8 114.507 114.507 114.851 -0.344 19450
2910 1 19 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.270 0.065 19450
2911 1 19 . 1 1 8 8 HIS CA C 8 62.017 62.017 55.349 6.668 19450
2912 1 19 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.644 -3.048 19450
2913 1 19 . 1 1 8 8 HIS H H 8 9.346 9.346 7.893 1.453 19450
2914 1 19 . 1 1 9 9 CYS N N 9 116.419 116.419 119.056 -2.637 19450
2915 1 19 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.799 0.635 19450
2916 1 19 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.216 -3.427 19450
2917 1 19 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.380 10.552 19450
2918 1 19 . 1 1 9 9 CYS H H 9 7.505 7.505 7.540 -0.035 19450
2919 1 19 . 1 1 10 10 GLU N N 10 119.951 119.951 119.020 0.931 19450
2920 1 19 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.923 0.159 19450
2921 1 19 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.564 0.613 19450
2922 1 19 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.269 -1.122 19450
2923 1 19 . 1 1 10 10 GLU H H 10 8.848 8.848 8.237 0.611 19450
2924 1 19 . 1 1 11 11 MET N N 11 121.293 121.293 117.519 3.774 19450
2925 1 19 . 1 1 11 11 MET HA H 11 4.107 4.107 4.225 -0.118 19450
2926 1 19 . 1 1 11 11 MET CA C 11 58.574 58.574 58.807 -0.233 19450
2927 1 19 . 1 1 11 11 MET CB C 11 31.841 31.841 32.175 -0.334 19450
2928 1 19 . 1 1 11 11 MET H H 11 7.920 7.920 7.954 -0.034 19450
2929 1 19 . 1 1 12 12 TRP N N 12 118.764 118.764 118.175 0.589 19450
2930 1 19 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.975 0.270 19450
2931 1 19 . 1 1 12 12 TRP CA C 12 58.110 58.110 56.312 1.798 19450
2932 1 19 . 1 1 12 12 TRP CB C 12 28.680 28.680 28.035 0.645 19450
2933 1 19 . 1 1 12 12 TRP H H 12 8.383 8.383 7.912 0.471 19450
2934 1 19 . 1 1 13 13 GLN N N 13 123.583 123.583 119.811 3.772 19450
2935 1 19 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.148 0.087 19450
2936 1 19 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.598 0.613 19450
2937 1 19 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.788 -0.899 19450
2938 1 19 . 1 1 13 13 GLN H H 13 9.051 9.051 8.765 0.285 19450
2939 1 19 . 1 1 14 14 GLN N N 14 114.111 114.111 120.480 -6.369 19450
2940 1 19 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.147 -0.172 19450
2941 1 19 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.344 0.591 19450
2942 1 19 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.210 -0.211 19450
2943 1 19 . 1 1 14 14 GLN H H 14 8.359 8.359 8.397 -0.038 19450
2944 1 19 . 1 1 15 15 LEU N N 15 117.658 117.658 118.480 -0.822 19450
2945 1 19 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.594 -0.123 19450
2946 1 19 . 1 1 15 15 LEU CA C 15 54.794 54.794 54.865 -0.071 19450
2947 1 19 . 1 1 15 15 LEU CB C 15 43.107 43.107 42.036 1.071 19450
2948 1 19 . 1 1 15 15 LEU H H 15 7.553 7.553 7.465 0.088 19450
2949 1 19 . 1 1 16 16 GLY N N 16 106.380 106.380 106.216 0.164 19450
2950 1 19 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.415 0.845 19450
2951 1 19 . 1 1 16 16 GLY H H 16 7.859 7.859 8.047 -0.188 19450
2952 1 19 . 1 1 17 17 HIS N N 17 116.016 116.016 120.010 -3.994 19450
2953 1 19 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.306 -0.073 19450
2954 1 19 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.426 -1.514 19450
2955 1 19 . 1 1 17 17 HIS CB C 17 29.782 29.782 30.090 -0.308 19450
2956 1 19 . 1 1 17 17 HIS H H 17 8.606 8.606 9.137 -0.531 19450
2957 1 19 . 1 1 18 18 CYS N N 18 119.185 119.185 115.369 3.816 19450
2958 1 19 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.481 -0.461 19450
2959 1 19 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.170 -1.765 19450
2960 1 19 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.549 11.388 19450
2961 1 19 . 1 1 18 18 CYS H H 18 9.681 9.681 8.617 1.064 19450
2962 1 19 . 1 1 19 19 GLN N N 19 114.091 114.091 118.373 -4.282 19450
2963 1 19 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.042 0.242 19450
2964 1 19 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.288 -0.739 19450
2965 1 19 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.643 0.099 19450
2966 1 19 . 1 1 19 19 GLN H H 19 7.173 7.173 7.998 -0.825 19450
2967 1 19 . 1 1 20 20 TYR N N 20 116.340 116.340 115.618 0.722 19450
2968 1 19 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.641 -0.008 19450
2969 1 19 . 1 1 20 20 TYR CA C 20 58.801 58.801 59.249 -0.448 19450
2970 1 19 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.882 -0.908 19450
2971 1 19 . 1 1 20 20 TYR H H 20 7.442 7.442 8.424 -0.982 19450
2972 1 19 . 1 1 21 21 SER N N 21 123.873 123.873 113.458 10.415 19450
2973 1 19 . 1 1 21 21 SER HA H 21 4.933 4.933 5.086 -0.153 19450
2974 1 19 . 1 1 21 21 SER CA C 21 54.779 54.779 54.451 0.328 19450
2975 1 19 . 1 1 21 21 SER CB C 21 63.040 63.040 63.530 -0.490 19450
2976 1 19 . 1 1 21 21 SER H H 21 8.372 8.372 8.439 -0.067 19450
2977 1 19 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.612 -0.369 19450
2978 1 19 . 1 1 22 22 PRO CA C 22 65.637 65.637 64.037 1.600 19450
2979 1 19 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.416 -0.576 19450
2980 1 19 . 1 1 23 23 LYS N N 23 121.196 121.196 118.840 2.356 19450
2981 1 19 . 1 1 23 23 LYS HA H 23 4.126 4.126 3.990 0.136 19450
2982 1 19 . 1 1 23 23 LYS CA C 23 59.531 59.531 59.069 0.462 19450
2983 1 19 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.567 0.101 19450
2984 1 19 . 1 1 23 23 LYS H H 23 8.225 8.225 8.631 -0.406 19450
2985 1 19 . 1 1 24 24 TYR N N 24 120.716 120.716 113.625 7.091 19450
2986 1 19 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.769 -0.445 19450
2987 1 19 . 1 1 24 24 TYR CA C 24 55.347 55.347 58.855 -3.508 19450
2988 1 19 . 1 1 24 24 TYR CB C 24 39.369 39.369 39.092 0.277 19450
2989 1 19 . 1 1 24 24 TYR H H 24 8.318 8.318 7.437 0.881 19450
2990 1 19 . 1 1 25 25 MET N N 25 117.494 117.494 119.109 -1.615 19450
2991 1 19 . 1 1 25 25 MET HA H 25 4.344 4.344 4.627 -0.283 19450
2992 1 19 . 1 1 25 25 MET CA C 25 56.843 56.843 55.986 0.857 19450
2993 1 19 . 1 1 25 25 MET CB C 25 31.620 31.620 32.323 -0.703 19450
2994 1 19 . 1 1 25 25 MET H H 25 8.636 8.636 7.709 0.927 19450
2995 1 19 . 1 1 26 26 GLY N N 26 104.942 104.942 106.120 -1.178 19450
2996 1 19 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.434 -1.519 19450
2997 1 19 . 1 1 26 26 GLY H H 26 8.290 8.290 8.270 0.020 19450
2998 1 19 . 1 1 27 27 HIS N N 27 115.046 115.046 117.781 -2.735 19450
2999 1 19 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.544 0.022 19450
3000 1 19 . 1 1 27 27 HIS CA C 27 56.626 56.626 57.044 -0.418 19450
3001 1 19 . 1 1 27 27 HIS CB C 27 29.875 29.875 30.051 -0.176 19450
3002 1 19 . 1 1 27 27 HIS H H 27 7.206 7.206 8.363 -1.157 19450
3003 1 19 . 1 1 28 28 TYR N N 28 114.431 114.431 116.281 -1.850 19450
3004 1 19 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.652 -0.341 19450
3005 1 19 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.130 1.319 19450
3006 1 19 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.252 -1.590 19450
3007 1 19 . 1 1 28 28 TYR H H 28 8.199 8.199 7.779 0.420 19450
3008 1 19 . 1 1 29 29 CYS N N 29 119.776 119.776 120.000 -0.224 19450
3009 1 19 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.859 1.147 19450
3010 1 19 . 1 1 29 29 CYS CA C 29 51.384 51.384 58.599 -7.215 19450
3011 1 19 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.330 9.725 19450
3012 1 19 . 1 1 29 29 CYS H H 29 8.466 8.466 8.920 -0.454 19450
3013 1 19 . 1 1 30 30 LYS N N 30 119.011 119.011 125.432 -6.421 19450
3014 1 19 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.253 -0.659 19450
3015 1 19 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.435 2.809 19450
3016 1 19 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.666 1.575 19450
3017 1 19 . 1 1 30 30 LYS H H 30 8.872 8.872 8.643 0.229 19450
3018 1 19 . 1 1 31 31 LYS N N 31 117.963 117.963 120.307 -2.344 19450
3019 1 19 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.919 0.109 19450
3020 1 19 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.323 -0.354 19450
3021 1 19 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.848 0.477 19450
3022 1 19 . 1 1 31 31 LYS H H 31 7.183 7.183 8.336 -1.153 19450
3023 1 19 . 1 1 32 32 ALA N N 32 129.495 129.495 119.946 9.549 19450
3024 1 19 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.196 -0.082 19450
3025 1 19 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.745 1.401 19450
3026 1 19 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.702 -0.610 19450
3027 1 19 . 1 1 32 32 ALA H H 32 11.370 11.370 8.105 3.265 19450
3028 1 19 . 1 1 33 33 CYS N N 33 109.017 109.017 115.841 -6.824 19450
3029 1 19 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.593 0.302 19450
3030 1 19 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.252 -3.978 19450
3031 1 19 . 1 1 33 33 CYS CB C 33 37.793 37.793 31.109 6.684 19450
3032 1 19 . 1 1 33 33 CYS H H 33 7.904 7.904 7.224 0.680 19450
3033 1 19 . 1 1 34 34 GLY N N 34 110.854 110.854 109.671 1.183 19450
3034 1 19 . 1 1 34 34 GLY CA C 34 47.128 47.128 46.540 0.588 19450
3035 1 19 . 1 1 34 34 GLY H H 34 8.130 8.130 8.850 -0.720 19450
3036 1 19 . 1 1 35 35 LEU N N 35 118.448 118.448 118.675 -0.227 19450
3037 1 19 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.532 -0.034 19450
3038 1 19 . 1 1 35 35 LEU CA C 35 54.259 54.259 55.394 -1.135 19450
3039 1 19 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.763 -0.895 19450
3040 1 19 . 1 1 35 35 LEU H H 35 8.601 8.601 7.292 1.309 19450
3041 1 20 . 1 1 2 2 CYS N N 2 126.377 126.377 121.035 5.342 19450
3042 1 20 . 1 1 2 2 CYS CB C 2 38.890 38.890 27.036 11.854 19450
3043 1 20 . 1 1 2 2 CYS H H 2 9.029 9.029 8.400 0.629 19450
3044 1 20 . 1 1 3 3 GLU N N 3 124.885 124.885 122.288 2.597 19450
3045 1 20 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.387 0.319 19450
3046 1 20 . 1 1 3 3 GLU CA C 3 55.882 55.882 54.867 1.015 19450
3047 1 20 . 1 1 3 3 GLU CB C 3 32.564 32.564 32.760 -0.196 19450
3048 1 20 . 1 1 3 3 GLU H H 3 8.376 8.376 8.482 -0.106 19450
3049 1 20 . 1 1 4 4 ASP N N 4 121.930 121.930 120.601 1.329 19450
3050 1 20 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.746 0.402 19450
3051 1 20 . 1 1 4 4 ASP CA C 4 55.056 55.056 53.967 1.089 19450
3052 1 20 . 1 1 4 4 ASP CB C 4 43.228 43.228 40.237 2.991 19450
3053 1 20 . 1 1 4 4 ASP H H 4 8.876 8.876 8.635 0.241 19450
3054 1 20 . 1 1 5 5 LEU N N 5 119.092 119.092 122.838 -3.746 19450
3055 1 20 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.172 0.528 19450
3056 1 20 . 1 1 5 5 LEU CA C 5 54.430 54.430 56.845 -2.415 19450
3057 1 20 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.181 1.181 19450
3058 1 20 . 1 1 5 5 LEU H H 5 9.373 9.373 8.748 0.625 19450
3059 1 20 . 1 1 6 6 ASN N N 6 117.782 117.782 116.392 1.390 19450
3060 1 20 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.829 0.089 19450
3061 1 20 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.306 0.711 19450
3062 1 20 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.237 2.678 19450
3063 1 20 . 1 1 6 6 ASN H H 6 7.398 7.398 7.586 -0.188 19450
3064 1 20 . 1 1 7 7 ALA N N 7 130.815 130.815 126.757 4.058 19450
3065 1 20 . 1 1 7 7 ALA HA H 7 4.152 4.152 4.030 0.122 19450
3066 1 20 . 1 1 7 7 ALA CA C 7 54.108 54.108 54.247 -0.139 19450
3067 1 20 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.512 -0.142 19450
3068 1 20 . 1 1 7 7 ALA H H 7 9.016 9.016 8.628 0.388 19450
3069 1 20 . 1 1 8 8 HIS N N 8 114.507 114.507 115.306 -0.799 19450
3070 1 20 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.210 0.125 19450
3071 1 20 . 1 1 8 8 HIS CA C 8 62.017 62.017 55.302 6.715 19450
3072 1 20 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.408 -2.812 19450
3073 1 20 . 1 1 8 8 HIS H H 8 9.346 9.346 7.900 1.446 19450
3074 1 20 . 1 1 9 9 CYS N N 9 116.419 116.419 119.083 -2.664 19450
3075 1 20 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.878 0.556 19450
3076 1 20 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.178 -3.389 19450
3077 1 20 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.273 10.659 19450
3078 1 20 . 1 1 9 9 CYS H H 9 7.505 7.505 7.810 -0.305 19450
3079 1 20 . 1 1 10 10 GLU N N 10 119.951 119.951 119.253 0.698 19450
3080 1 20 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.937 0.145 19450
3081 1 20 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.664 0.513 19450
3082 1 20 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.308 -1.161 19450
3083 1 20 . 1 1 10 10 GLU H H 10 8.848 8.848 8.093 0.755 19450
3084 1 20 . 1 1 11 11 MET N N 11 121.293 121.293 117.254 4.039 19450
3085 1 20 . 1 1 11 11 MET HA H 11 4.107 4.107 4.118 -0.011 19450
3086 1 20 . 1 1 11 11 MET CA C 11 58.574 58.574 57.992 0.582 19450
3087 1 20 . 1 1 11 11 MET CB C 11 31.841 31.841 31.262 0.579 19450
3088 1 20 . 1 1 11 11 MET H H 11 7.920 7.920 7.974 -0.054 19450
3089 1 20 . 1 1 12 12 TRP N N 12 118.764 118.764 118.843 -0.079 19450
3090 1 20 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.921 0.324 19450
3091 1 20 . 1 1 12 12 TRP CA C 12 58.110 58.110 56.527 1.583 19450
3092 1 20 . 1 1 12 12 TRP CB C 12 28.680 28.680 27.784 0.896 19450
3093 1 20 . 1 1 12 12 TRP H H 12 8.383 8.383 7.975 0.408 19450
3094 1 20 . 1 1 13 13 GLN N N 13 123.583 123.583 120.421 3.162 19450
3095 1 20 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.227 0.008 19450
3096 1 20 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.368 0.843 19450
3097 1 20 . 1 1 13 13 GLN CB C 13 26.889 26.889 28.231 -1.342 19450
3098 1 20 . 1 1 13 13 GLN H H 13 9.051 9.051 8.795 0.256 19450
3099 1 20 . 1 1 14 14 GLN N N 14 114.111 114.111 120.156 -6.045 19450
3100 1 20 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.151 -0.176 19450
3101 1 20 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.294 0.641 19450
3102 1 20 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.247 -0.247 19450
3103 1 20 . 1 1 14 14 GLN H H 14 8.359 8.359 8.390 -0.031 19450
3104 1 20 . 1 1 15 15 LEU N N 15 117.658 117.658 117.025 0.633 19450
3105 1 20 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.522 -0.051 19450
3106 1 20 . 1 1 15 15 LEU CA C 15 54.794 54.794 54.842 -0.048 19450
3107 1 20 . 1 1 15 15 LEU CB C 15 43.107 43.107 42.285 0.822 19450
3108 1 20 . 1 1 15 15 LEU H H 15 7.553 7.553 7.629 -0.076 19450
3109 1 20 . 1 1 16 16 GLY N N 16 106.380 106.380 104.810 1.570 19450
3110 1 20 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.370 0.890 19450
3111 1 20 . 1 1 16 16 GLY H H 16 7.859 7.859 7.862 -0.003 19450
3112 1 20 . 1 1 17 17 HIS N N 17 116.016 116.016 119.985 -3.969 19450
3113 1 20 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.268 -0.035 19450
3114 1 20 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.269 -1.357 19450
3115 1 20 . 1 1 17 17 HIS CB C 17 29.782 29.782 29.940 -0.158 19450
3116 1 20 . 1 1 17 17 HIS H H 17 8.606 8.606 9.218 -0.612 19450
3117 1 20 . 1 1 18 18 CYS N N 18 119.185 119.185 116.135 3.050 19450
3118 1 20 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.418 -0.398 19450
3119 1 20 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.377 -1.972 19450
3120 1 20 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.332 11.605 19450
3121 1 20 . 1 1 18 18 CYS H H 18 9.681 9.681 8.529 1.152 19450
3122 1 20 . 1 1 19 19 GLN N N 19 114.091 114.091 118.560 -4.469 19450
3123 1 20 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.035 0.249 19450
3124 1 20 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.464 -0.916 19450
3125 1 20 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.566 0.176 19450
3126 1 20 . 1 1 19 19 GLN H H 19 7.173 7.173 7.912 -0.739 19450
3127 1 20 . 1 1 20 20 TYR N N 20 116.340 116.340 116.400 -0.060 19450
3128 1 20 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.596 0.037 19450
3129 1 20 . 1 1 20 20 TYR CA C 20 58.801 58.801 59.578 -0.777 19450
3130 1 20 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.647 -0.673 19450
3131 1 20 . 1 1 20 20 TYR H H 20 7.442 7.442 8.227 -0.785 19450
3132 1 20 . 1 1 21 21 SER N N 21 123.873 123.873 114.694 9.179 19450
3133 1 20 . 1 1 21 21 SER HA H 21 4.933 4.933 5.093 -0.160 19450
3134 1 20 . 1 1 21 21 SER CA C 21 54.779 54.779 54.661 0.118 19450
3135 1 20 . 1 1 21 21 SER CB C 21 63.040 63.040 63.936 -0.896 19450
3136 1 20 . 1 1 21 21 SER H H 21 8.372 8.372 8.535 -0.163 19450
3137 1 20 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.532 -0.289 19450
3138 1 20 . 1 1 22 22 PRO CA C 22 65.637 65.637 64.193 1.444 19450
3139 1 20 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.045 -0.205 19450
3140 1 20 . 1 1 23 23 LYS N N 23 121.196 121.196 119.315 1.881 19450
3141 1 20 . 1 1 23 23 LYS HA H 23 4.126 4.126 3.973 0.153 19450
3142 1 20 . 1 1 23 23 LYS CA C 23 59.531 59.531 58.900 0.631 19450
3143 1 20 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.775 -0.107 19450
3144 1 20 . 1 1 23 23 LYS H H 23 8.225 8.225 8.527 -0.302 19450
3145 1 20 . 1 1 24 24 TYR N N 24 120.716 120.716 114.155 6.561 19450
3146 1 20 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.754 -0.430 19450
3147 1 20 . 1 1 24 24 TYR CA C 24 55.347 55.347 59.235 -3.888 19450
3148 1 20 . 1 1 24 24 TYR CB C 24 39.369 39.369 39.278 0.091 19450
3149 1 20 . 1 1 24 24 TYR H H 24 8.318 8.318 7.513 0.805 19450
3150 1 20 . 1 1 25 25 MET N N 25 117.494 117.494 119.115 -1.621 19450
3151 1 20 . 1 1 25 25 MET HA H 25 4.344 4.344 4.582 -0.238 19450
3152 1 20 . 1 1 25 25 MET CA C 25 56.843 56.843 58.575 -1.732 19450
3153 1 20 . 1 1 25 25 MET CB C 25 31.620 31.620 33.132 -1.512 19450
3154 1 20 . 1 1 25 25 MET H H 25 8.636 8.636 7.697 0.939 19450
3155 1 20 . 1 1 26 26 GLY N N 26 104.942 104.942 106.975 -2.033 19450
3156 1 20 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.247 -1.332 19450
3157 1 20 . 1 1 26 26 GLY H H 26 8.290 8.290 8.478 -0.188 19450
3158 1 20 . 1 1 27 27 HIS N N 27 115.046 115.046 118.274 -3.228 19450
3159 1 20 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.566 0.000 19450
3160 1 20 . 1 1 27 27 HIS CA C 27 56.626 56.626 56.889 -0.263 19450
3161 1 20 . 1 1 27 27 HIS CB C 27 29.875 29.875 30.602 -0.727 19450
3162 1 20 . 1 1 27 27 HIS H H 27 7.206 7.206 8.245 -1.039 19450
3163 1 20 . 1 1 28 28 TYR N N 28 114.431 114.431 116.143 -1.712 19450
3164 1 20 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.638 -0.327 19450
3165 1 20 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.117 1.332 19450
3166 1 20 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.425 -1.764 19450
3167 1 20 . 1 1 28 28 TYR H H 28 8.199 8.199 7.754 0.445 19450
3168 1 20 . 1 1 29 29 CYS N N 29 119.776 119.776 119.145 0.631 19450
3169 1 20 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.862 1.144 19450
3170 1 20 . 1 1 29 29 CYS CA C 29 51.384 51.384 57.961 -6.577 19450
3171 1 20 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.364 9.691 19450
3172 1 20 . 1 1 29 29 CYS H H 29 8.466 8.466 9.018 -0.552 19450
3173 1 20 . 1 1 30 30 LYS N N 30 119.011 119.011 125.021 -6.010 19450
3174 1 20 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.232 -0.638 19450
3175 1 20 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.454 2.790 19450
3176 1 20 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.619 1.621 19450
3177 1 20 . 1 1 30 30 LYS H H 30 8.872 8.872 7.964 0.908 19450
3178 1 20 . 1 1 31 31 LYS N N 31 117.963 117.963 119.993 -2.030 19450
3179 1 20 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.888 0.140 19450
3180 1 20 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.279 -0.310 19450
3181 1 20 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.597 0.728 19450
3182 1 20 . 1 1 31 31 LYS H H 31 7.183 7.183 8.453 -1.270 19450
3183 1 20 . 1 1 32 32 ALA N N 32 129.495 129.495 119.199 10.296 19450
3184 1 20 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.301 -0.187 19450
3185 1 20 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.273 1.872 19450
3186 1 20 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.631 -0.539 19450
3187 1 20 . 1 1 32 32 ALA H H 32 11.370 11.370 8.289 3.081 19450
3188 1 20 . 1 1 33 33 CYS N N 33 109.017 109.017 115.795 -6.778 19450
3189 1 20 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.579 0.316 19450
3190 1 20 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.390 -4.116 19450
3191 1 20 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.691 7.102 19450
3192 1 20 . 1 1 33 33 CYS H H 33 7.904 7.904 7.410 0.494 19450
3193 1 20 . 1 1 34 34 GLY N N 34 110.854 110.854 109.678 1.176 19450
3194 1 20 . 1 1 34 34 GLY CA C 34 47.128 47.128 46.606 0.522 19450
3195 1 20 . 1 1 34 34 GLY H H 34 8.130 8.130 8.713 -0.583 19450
3196 1 20 . 1 1 35 35 LEU N N 35 118.448 118.448 119.460 -1.012 19450
3197 1 20 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.250 0.248 19450
3198 1 20 . 1 1 35 35 LEU CA C 35 54.259 54.259 55.967 -1.708 19450
3199 1 20 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.098 -0.230 19450
3200 1 20 . 1 1 35 35 LEU H H 35 8.601 8.601 7.627 0.974 19450
3201 1 21 . 1 1 2 2 CYS N N 2 126.377 126.377 123.169 3.208 19450
3202 1 21 . 1 1 2 2 CYS CB C 2 38.890 38.890 28.109 10.781 19450
3203 1 21 . 1 1 2 2 CYS H H 2 9.029 9.029 8.366 0.663 19450
3204 1 21 . 1 1 3 3 GLU N N 3 124.885 124.885 123.258 1.627 19450
3205 1 21 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.316 0.390 19450
3206 1 21 . 1 1 3 3 GLU CA C 3 55.882 55.882 55.061 0.821 19450
3207 1 21 . 1 1 3 3 GLU CB C 3 32.564 32.564 32.648 -0.084 19450
3208 1 21 . 1 1 3 3 GLU H H 3 8.376 8.376 8.253 0.123 19450
3209 1 21 . 1 1 4 4 ASP N N 4 121.930 121.930 120.083 1.847 19450
3210 1 21 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.699 0.449 19450
3211 1 21 . 1 1 4 4 ASP CA C 4 55.056 55.056 54.173 0.883 19450
3212 1 21 . 1 1 4 4 ASP CB C 4 43.228 43.228 40.479 2.749 19450
3213 1 21 . 1 1 4 4 ASP H H 4 8.876 8.876 8.478 0.398 19450
3214 1 21 . 1 1 5 5 LEU N N 5 119.092 119.092 123.062 -3.970 19450
3215 1 21 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.167 0.533 19450
3216 1 21 . 1 1 5 5 LEU CA C 5 54.430 54.430 56.753 -2.323 19450
3217 1 21 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.224 1.137 19450
3218 1 21 . 1 1 5 5 LEU H H 5 9.373 9.373 8.780 0.593 19450
3219 1 21 . 1 1 6 6 ASN N N 6 117.782 117.782 116.345 1.437 19450
3220 1 21 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.823 0.095 19450
3221 1 21 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.548 0.469 19450
3222 1 21 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.545 2.370 19450
3223 1 21 . 1 1 6 6 ASN H H 6 7.398 7.398 7.584 -0.186 19450
3224 1 21 . 1 1 7 7 ALA N N 7 130.815 130.815 126.750 4.065 19450
3225 1 21 . 1 1 7 7 ALA HA H 7 4.152 4.152 4.051 0.101 19450
3226 1 21 . 1 1 7 7 ALA CA C 7 54.108 54.108 54.093 0.015 19450
3227 1 21 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.539 -0.169 19450
3228 1 21 . 1 1 7 7 ALA H H 7 9.016 9.016 8.597 0.419 19450
3229 1 21 . 1 1 8 8 HIS N N 8 114.507 114.507 115.161 -0.654 19450
3230 1 21 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.226 0.109 19450
3231 1 21 . 1 1 8 8 HIS CA C 8 62.017 62.017 55.490 6.527 19450
3232 1 21 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.516 -2.920 19450
3233 1 21 . 1 1 8 8 HIS H H 8 9.346 9.346 7.852 1.494 19450
3234 1 21 . 1 1 9 9 CYS N N 9 116.419 116.419 119.091 -2.672 19450
3235 1 21 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.880 0.554 19450
3236 1 21 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.229 -3.440 19450
3237 1 21 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.323 10.609 19450
3238 1 21 . 1 1 9 9 CYS H H 9 7.505 7.505 7.706 -0.201 19450
3239 1 21 . 1 1 10 10 GLU N N 10 119.951 119.951 119.542 0.409 19450
3240 1 21 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.927 0.155 19450
3241 1 21 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.911 0.266 19450
3242 1 21 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.322 -1.175 19450
3243 1 21 . 1 1 10 10 GLU H H 10 8.848 8.848 8.256 0.592 19450
3244 1 21 . 1 1 11 11 MET N N 11 121.293 121.293 117.474 3.819 19450
3245 1 21 . 1 1 11 11 MET HA H 11 4.107 4.107 4.247 -0.140 19450
3246 1 21 . 1 1 11 11 MET CA C 11 58.574 58.574 58.518 0.056 19450
3247 1 21 . 1 1 11 11 MET CB C 11 31.841 31.841 32.048 -0.207 19450
3248 1 21 . 1 1 11 11 MET H H 11 7.920 7.920 7.184 0.736 19450
3249 1 21 . 1 1 12 12 TRP N N 12 118.764 118.764 118.026 0.738 19450
3250 1 21 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.833 0.412 19450
3251 1 21 . 1 1 12 12 TRP CA C 12 58.110 58.110 56.407 1.703 19450
3252 1 21 . 1 1 12 12 TRP CB C 12 28.680 28.680 28.263 0.417 19450
3253 1 21 . 1 1 12 12 TRP H H 12 8.383 8.383 7.811 0.572 19450
3254 1 21 . 1 1 13 13 GLN N N 13 123.583 123.583 120.481 3.102 19450
3255 1 21 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.234 0.001 19450
3256 1 21 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.379 0.832 19450
3257 1 21 . 1 1 13 13 GLN CB C 13 26.889 26.889 28.216 -1.327 19450
3258 1 21 . 1 1 13 13 GLN H H 13 9.051 9.051 8.835 0.215 19450
3259 1 21 . 1 1 14 14 GLN N N 14 114.111 114.111 120.466 -6.355 19450
3260 1 21 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.154 -0.179 19450
3261 1 21 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.330 0.605 19450
3262 1 21 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.250 -0.251 19450
3263 1 21 . 1 1 14 14 GLN H H 14 8.359 8.359 8.321 0.038 19450
3264 1 21 . 1 1 15 15 LEU N N 15 117.658 117.658 116.636 1.022 19450
3265 1 21 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.576 -0.105 19450
3266 1 21 . 1 1 15 15 LEU CA C 15 54.794 54.794 54.699 0.095 19450
3267 1 21 . 1 1 15 15 LEU CB C 15 43.107 43.107 42.146 0.961 19450
3268 1 21 . 1 1 15 15 LEU H H 15 7.553 7.553 7.298 0.255 19450
3269 1 21 . 1 1 16 16 GLY N N 16 106.380 106.380 104.871 1.509 19450
3270 1 21 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.456 0.804 19450
3271 1 21 . 1 1 16 16 GLY H H 16 7.859 7.859 7.900 -0.041 19450
3272 1 21 . 1 1 17 17 HIS N N 17 116.016 116.016 119.880 -3.864 19450
3273 1 21 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.264 -0.031 19450
3274 1 21 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.152 -1.240 19450
3275 1 21 . 1 1 17 17 HIS CB C 17 29.782 29.782 29.921 -0.139 19450
3276 1 21 . 1 1 17 17 HIS H H 17 8.606 8.606 9.244 -0.638 19450
3277 1 21 . 1 1 18 18 CYS N N 18 119.185 119.185 116.220 2.965 19450
3278 1 21 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.422 -0.402 19450
3279 1 21 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.392 -1.987 19450
3280 1 21 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.351 11.586 19450
3281 1 21 . 1 1 18 18 CYS H H 18 9.681 9.681 8.521 1.160 19450
3282 1 21 . 1 1 19 19 GLN N N 19 114.091 114.091 118.652 -4.561 19450
3283 1 21 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.055 0.229 19450
3284 1 21 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.480 -0.932 19450
3285 1 21 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.638 0.104 19450
3286 1 21 . 1 1 19 19 GLN H H 19 7.173 7.173 7.918 -0.745 19450
3287 1 21 . 1 1 20 20 TYR N N 20 116.340 116.340 116.409 -0.069 19450
3288 1 21 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.554 0.079 19450
3289 1 21 . 1 1 20 20 TYR CA C 20 58.801 58.801 60.191 -1.390 19450
3290 1 21 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.683 -0.709 19450
3291 1 21 . 1 1 20 20 TYR H H 20 7.442 7.442 8.376 -0.934 19450
3292 1 21 . 1 1 21 21 SER N N 21 123.873 123.873 113.628 10.245 19450
3293 1 21 . 1 1 21 21 SER HA H 21 4.933 4.933 5.080 -0.147 19450
3294 1 21 . 1 1 21 21 SER CA C 21 54.779 54.779 54.336 0.443 19450
3295 1 21 . 1 1 21 21 SER CB C 21 63.040 63.040 63.916 -0.876 19450
3296 1 21 . 1 1 21 21 SER H H 21 8.372 8.372 8.362 0.010 19450
3297 1 21 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.540 -0.297 19450
3298 1 21 . 1 1 22 22 PRO CA C 22 65.637 65.637 64.147 1.490 19450
3299 1 21 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.217 -0.377 19450
3300 1 21 . 1 1 23 23 LYS N N 23 121.196 121.196 118.703 2.493 19450
3301 1 21 . 1 1 23 23 LYS HA H 23 4.126 4.126 3.966 0.160 19450
3302 1 21 . 1 1 23 23 LYS CA C 23 59.531 59.531 59.015 0.516 19450
3303 1 21 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.519 0.149 19450
3304 1 21 . 1 1 23 23 LYS H H 23 8.225 8.225 8.594 -0.369 19450
3305 1 21 . 1 1 24 24 TYR N N 24 120.716 120.716 113.760 6.956 19450
3306 1 21 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.810 -0.486 19450
3307 1 21 . 1 1 24 24 TYR CA C 24 55.347 55.347 59.018 -3.671 19450
3308 1 21 . 1 1 24 24 TYR CB C 24 39.369 39.369 39.266 0.103 19450
3309 1 21 . 1 1 24 24 TYR H H 24 8.318 8.318 7.418 0.900 19450
3310 1 21 . 1 1 25 25 MET N N 25 117.494 117.494 119.750 -2.256 19450
3311 1 21 . 1 1 25 25 MET HA H 25 4.344 4.344 4.494 -0.150 19450
3312 1 21 . 1 1 25 25 MET CA C 25 56.843 56.843 59.003 -2.160 19450
3313 1 21 . 1 1 25 25 MET CB C 25 31.620 31.620 32.971 -1.351 19450
3314 1 21 . 1 1 25 25 MET H H 25 8.636 8.636 7.712 0.924 19450
3315 1 21 . 1 1 26 26 GLY N N 26 104.942 104.942 105.972 -1.030 19450
3316 1 21 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.516 -1.601 19450
3317 1 21 . 1 1 26 26 GLY H H 26 8.290 8.290 8.277 0.013 19450
3318 1 21 . 1 1 27 27 HIS N N 27 115.046 115.046 117.670 -2.624 19450
3319 1 21 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.587 -0.021 19450
3320 1 21 . 1 1 27 27 HIS CA C 27 56.626 56.626 56.936 -0.310 19450
3321 1 21 . 1 1 27 27 HIS CB C 27 29.875 29.875 30.172 -0.297 19450
3322 1 21 . 1 1 27 27 HIS H H 27 7.206 7.206 8.307 -1.101 19450
3323 1 21 . 1 1 28 28 TYR N N 28 114.431 114.431 116.314 -1.883 19450
3324 1 21 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.627 -0.316 19450
3325 1 21 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.188 1.261 19450
3326 1 21 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.234 -1.572 19450
3327 1 21 . 1 1 28 28 TYR H H 28 8.199 8.199 7.776 0.423 19450
3328 1 21 . 1 1 29 29 CYS N N 29 119.776 119.776 119.758 0.018 19450
3329 1 21 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.870 1.136 19450
3330 1 21 . 1 1 29 29 CYS CA C 29 51.384 51.384 58.465 -7.081 19450
3331 1 21 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.538 9.517 19450
3332 1 21 . 1 1 29 29 CYS H H 29 8.466 8.466 8.950 -0.484 19450
3333 1 21 . 1 1 30 30 LYS N N 30 119.011 119.011 125.431 -6.420 19450
3334 1 21 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.258 -0.664 19450
3335 1 21 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.463 2.781 19450
3336 1 21 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.647 1.593 19450
3337 1 21 . 1 1 30 30 LYS H H 30 8.872 8.872 8.665 0.207 19450
3338 1 21 . 1 1 31 31 LYS N N 31 117.963 117.963 120.327 -2.364 19450
3339 1 21 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.917 0.111 19450
3340 1 21 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.296 -0.327 19450
3341 1 21 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.670 0.655 19450
3342 1 21 . 1 1 31 31 LYS H H 31 7.183 7.183 8.456 -1.273 19450
3343 1 21 . 1 1 32 32 ALA N N 32 129.495 129.495 119.673 9.822 19450
3344 1 21 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.281 -0.167 19450
3345 1 21 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.359 1.786 19450
3346 1 21 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.588 -0.496 19450
3347 1 21 . 1 1 32 32 ALA H H 32 11.370 11.370 8.306 3.064 19450
3348 1 21 . 1 1 33 33 CYS N N 33 109.017 109.017 115.634 -6.617 19450
3349 1 21 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.567 0.328 19450
3350 1 21 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.426 -4.152 19450
3351 1 21 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.503 7.290 19450
3352 1 21 . 1 1 33 33 CYS H H 33 7.904 7.904 7.449 0.455 19450
3353 1 21 . 1 1 34 34 GLY N N 34 110.854 110.854 110.078 0.776 19450
3354 1 21 . 1 1 34 34 GLY CA C 34 47.128 47.128 46.342 0.786 19450
3355 1 21 . 1 1 34 34 GLY H H 34 8.130 8.130 8.792 -0.662 19450
3356 1 21 . 1 1 35 35 LEU N N 35 118.448 118.448 119.755 -1.307 19450
3357 1 21 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.325 0.173 19450
3358 1 21 . 1 1 35 35 LEU CA C 35 54.259 54.259 55.997 -1.738 19450
3359 1 21 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.442 -0.574 19450
3360 1 21 . 1 1 35 35 LEU H H 35 8.601 8.601 7.821 0.780 19450
3361 1 22 . 1 1 2 2 CYS N N 2 126.377 126.377 122.002 4.375 19450
3362 1 22 . 1 1 2 2 CYS CB C 2 38.890 38.890 27.144 11.746 19450
3363 1 22 . 1 1 2 2 CYS H H 2 9.029 9.029 8.590 0.439 19450
3364 1 22 . 1 1 3 3 GLU N N 3 124.885 124.885 121.489 3.396 19450
3365 1 22 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.348 0.358 19450
3366 1 22 . 1 1 3 3 GLU CA C 3 55.882 55.882 55.383 0.499 19450
3367 1 22 . 1 1 3 3 GLU CB C 3 32.564 32.564 33.124 -0.560 19450
3368 1 22 . 1 1 3 3 GLU H H 3 8.376 8.376 8.390 -0.014 19450
3369 1 22 . 1 1 4 4 ASP N N 4 121.930 121.930 120.542 1.388 19450
3370 1 22 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.679 0.469 19450
3371 1 22 . 1 1 4 4 ASP CA C 4 55.056 55.056 54.642 0.414 19450
3372 1 22 . 1 1 4 4 ASP CB C 4 43.228 43.228 40.880 2.348 19450
3373 1 22 . 1 1 4 4 ASP H H 4 8.876 8.876 8.711 0.165 19450
3374 1 22 . 1 1 5 5 LEU N N 5 119.092 119.092 121.316 -2.224 19450
3375 1 22 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.424 0.276 19450
3376 1 22 . 1 1 5 5 LEU CA C 5 54.430 54.430 54.879 -0.449 19450
3377 1 22 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.694 0.667 19450
3378 1 22 . 1 1 5 5 LEU H H 5 9.373 9.373 8.520 0.853 19450
3379 1 22 . 1 1 6 6 ASN N N 6 117.782 117.782 118.014 -0.232 19450
3380 1 22 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.784 0.134 19450
3381 1 22 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.464 0.553 19450
3382 1 22 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.995 1.920 19450
3383 1 22 . 1 1 6 6 ASN H H 6 7.398 7.398 7.584 -0.186 19450
3384 1 22 . 1 1 7 7 ALA N N 7 130.815 130.815 127.086 3.729 19450
3385 1 22 . 1 1 7 7 ALA HA H 7 4.152 4.152 4.113 0.039 19450
3386 1 22 . 1 1 7 7 ALA CA C 7 54.108 54.108 53.715 0.393 19450
3387 1 22 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.717 -0.347 19450
3388 1 22 . 1 1 7 7 ALA H H 7 9.016 9.016 8.631 0.385 19450
3389 1 22 . 1 1 8 8 HIS N N 8 114.507 114.507 114.269 0.238 19450
3390 1 22 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.351 -0.016 19450
3391 1 22 . 1 1 8 8 HIS CA C 8 62.017 62.017 54.537 7.480 19450
3392 1 22 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.571 -2.975 19450
3393 1 22 . 1 1 8 8 HIS H H 8 9.346 9.346 7.917 1.429 19450
3394 1 22 . 1 1 9 9 CYS N N 9 116.419 116.419 119.401 -2.982 19450
3395 1 22 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.982 0.452 19450
3396 1 22 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.349 -3.560 19450
3397 1 22 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.572 10.360 19450
3398 1 22 . 1 1 9 9 CYS H H 9 7.505 7.505 7.727 -0.222 19450
3399 1 22 . 1 1 10 10 GLU N N 10 119.951 119.951 119.096 0.855 19450
3400 1 22 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.924 0.158 19450
3401 1 22 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.765 0.412 19450
3402 1 22 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.299 -1.152 19450
3403 1 22 . 1 1 10 10 GLU H H 10 8.848 8.848 8.361 0.487 19450
3404 1 22 . 1 1 11 11 MET N N 11 121.293 121.293 118.033 3.260 19450
3405 1 22 . 1 1 11 11 MET HA H 11 4.107 4.107 4.045 0.062 19450
3406 1 22 . 1 1 11 11 MET CA C 11 58.574 58.574 59.022 -0.448 19450
3407 1 22 . 1 1 11 11 MET CB C 11 31.841 31.841 32.160 -0.320 19450
3408 1 22 . 1 1 11 11 MET H H 11 7.920 7.920 7.911 0.009 19450
3409 1 22 . 1 1 12 12 TRP N N 12 118.764 118.764 119.136 -0.372 19450
3410 1 22 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.836 0.409 19450
3411 1 22 . 1 1 12 12 TRP CA C 12 58.110 58.110 56.709 1.401 19450
3412 1 22 . 1 1 12 12 TRP CB C 12 28.680 28.680 27.791 0.888 19450
3413 1 22 . 1 1 12 12 TRP H H 12 8.383 8.383 8.414 -0.031 19450
3414 1 22 . 1 1 13 13 GLN N N 13 123.583 123.583 119.560 4.023 19450
3415 1 22 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.150 0.085 19450
3416 1 22 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.592 0.619 19450
3417 1 22 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.887 -0.999 19450
3418 1 22 . 1 1 13 13 GLN H H 13 9.051 9.051 8.774 0.277 19450
3419 1 22 . 1 1 14 14 GLN N N 14 114.111 114.111 120.376 -6.265 19450
3420 1 22 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.171 -0.196 19450
3421 1 22 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.303 0.632 19450
3422 1 22 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.441 -0.442 19450
3423 1 22 . 1 1 14 14 GLN H H 14 8.359 8.359 8.472 -0.113 19450
3424 1 22 . 1 1 15 15 LEU N N 15 117.658 117.658 119.021 -1.363 19450
3425 1 22 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.556 -0.085 19450
3426 1 22 . 1 1 15 15 LEU CA C 15 54.794 54.794 55.019 -0.225 19450
3427 1 22 . 1 1 15 15 LEU CB C 15 43.107 43.107 42.436 0.671 19450
3428 1 22 . 1 1 15 15 LEU H H 15 7.553 7.553 7.708 -0.155 19450
3429 1 22 . 1 1 16 16 GLY N N 16 106.380 106.380 106.292 0.088 19450
3430 1 22 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.438 0.822 19450
3431 1 22 . 1 1 16 16 GLY H H 16 7.859 7.859 7.916 -0.057 19450
3432 1 22 . 1 1 17 17 HIS N N 17 116.016 116.016 119.613 -3.597 19450
3433 1 22 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.345 -0.112 19450
3434 1 22 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.279 -1.367 19450
3435 1 22 . 1 1 17 17 HIS CB C 17 29.782 29.782 30.106 -0.324 19450
3436 1 22 . 1 1 17 17 HIS H H 17 8.606 8.606 9.268 -0.662 19450
3437 1 22 . 1 1 18 18 CYS N N 18 119.185 119.185 116.225 2.960 19450
3438 1 22 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.446 -0.426 19450
3439 1 22 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.134 -1.729 19450
3440 1 22 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.768 11.168 19450
3441 1 22 . 1 1 18 18 CYS H H 18 9.681 9.681 8.494 1.187 19450
3442 1 22 . 1 1 19 19 GLN N N 19 114.091 114.091 118.054 -3.963 19450
3443 1 22 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.003 0.281 19450
3444 1 22 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.190 -0.642 19450
3445 1 22 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.624 0.118 19450
3446 1 22 . 1 1 19 19 GLN H H 19 7.173 7.173 7.994 -0.821 19450
3447 1 22 . 1 1 20 20 TYR N N 20 116.340 116.340 115.105 1.235 19450
3448 1 22 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.651 -0.018 19450
3449 1 22 . 1 1 20 20 TYR CA C 20 58.801 58.801 59.219 -0.418 19450
3450 1 22 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.887 -0.913 19450
3451 1 22 . 1 1 20 20 TYR H H 20 7.442 7.442 8.252 -0.810 19450
3452 1 22 . 1 1 21 21 SER N N 21 123.873 123.873 113.656 10.217 19450
3453 1 22 . 1 1 21 21 SER HA H 21 4.933 4.933 5.149 -0.216 19450
3454 1 22 . 1 1 21 21 SER CA C 21 54.779 54.779 54.657 0.122 19450
3455 1 22 . 1 1 21 21 SER CB C 21 63.040 63.040 63.792 -0.752 19450
3456 1 22 . 1 1 21 21 SER H H 21 8.372 8.372 8.442 -0.070 19450
3457 1 22 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.544 -0.301 19450
3458 1 22 . 1 1 22 22 PRO CA C 22 65.637 65.637 64.359 1.278 19450
3459 1 22 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.312 -0.472 19450
3460 1 22 . 1 1 23 23 LYS N N 23 121.196 121.196 118.215 2.981 19450
3461 1 22 . 1 1 23 23 LYS HA H 23 4.126 4.126 3.999 0.127 19450
3462 1 22 . 1 1 23 23 LYS CA C 23 59.531 59.531 59.000 0.531 19450
3463 1 22 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.616 0.052 19450
3464 1 22 . 1 1 23 23 LYS H H 23 8.225 8.225 8.640 -0.415 19450
3465 1 22 . 1 1 24 24 TYR N N 24 120.716 120.716 114.212 6.504 19450
3466 1 22 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.745 -0.421 19450
3467 1 22 . 1 1 24 24 TYR CA C 24 55.347 55.347 59.026 -3.679 19450
3468 1 22 . 1 1 24 24 TYR CB C 24 39.369 39.369 39.064 0.305 19450
3469 1 22 . 1 1 24 24 TYR H H 24 8.318 8.318 7.472 0.846 19450
3470 1 22 . 1 1 25 25 MET N N 25 117.494 117.494 118.842 -1.348 19450
3471 1 22 . 1 1 25 25 MET HA H 25 4.344 4.344 4.645 -0.301 19450
3472 1 22 . 1 1 25 25 MET CA C 25 56.843 56.843 55.863 0.980 19450
3473 1 22 . 1 1 25 25 MET CB C 25 31.620 31.620 32.441 -0.821 19450
3474 1 22 . 1 1 25 25 MET H H 25 8.636 8.636 7.852 0.784 19450
3475 1 22 . 1 1 26 26 GLY N N 26 104.942 104.942 106.462 -1.520 19450
3476 1 22 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.437 -1.522 19450
3477 1 22 . 1 1 26 26 GLY H H 26 8.290 8.290 8.357 -0.067 19450
3478 1 22 . 1 1 27 27 HIS N N 27 115.046 115.046 118.191 -3.145 19450
3479 1 22 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.498 0.068 19450
3480 1 22 . 1 1 27 27 HIS CA C 27 56.626 56.626 56.405 0.221 19450
3481 1 22 . 1 1 27 27 HIS CB C 27 29.875 29.875 30.215 -0.340 19450
3482 1 22 . 1 1 27 27 HIS H H 27 7.206 7.206 8.190 -0.984 19450
3483 1 22 . 1 1 28 28 TYR N N 28 114.431 114.431 116.106 -1.675 19450
3484 1 22 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.694 -0.383 19450
3485 1 22 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.058 1.391 19450
3486 1 22 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.572 -1.911 19450
3487 1 22 . 1 1 28 28 TYR H H 28 8.199 8.199 7.757 0.442 19450
3488 1 22 . 1 1 29 29 CYS N N 29 119.776 119.776 119.877 -0.101 19450
3489 1 22 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.903 1.103 19450
3490 1 22 . 1 1 29 29 CYS CA C 29 51.384 51.384 58.273 -6.889 19450
3491 1 22 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.734 9.321 19450
3492 1 22 . 1 1 29 29 CYS H H 29 8.466 8.466 9.171 -0.705 19450
3493 1 22 . 1 1 30 30 LYS N N 30 119.011 119.011 124.941 -5.930 19450
3494 1 22 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.234 -0.640 19450
3495 1 22 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.618 2.626 19450
3496 1 22 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.548 1.692 19450
3497 1 22 . 1 1 30 30 LYS H H 30 8.872 8.872 8.744 0.128 19450
3498 1 22 . 1 1 31 31 LYS N N 31 117.963 117.963 120.347 -2.384 19450
3499 1 22 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.873 0.155 19450
3500 1 22 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.305 -0.336 19450
3501 1 22 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.693 0.632 19450
3502 1 22 . 1 1 31 31 LYS H H 31 7.183 7.183 8.437 -1.254 19450
3503 1 22 . 1 1 32 32 ALA N N 32 129.495 129.495 119.201 10.294 19450
3504 1 22 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.247 -0.133 19450
3505 1 22 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.598 1.547 19450
3506 1 22 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.623 -0.532 19450
3507 1 22 . 1 1 32 32 ALA H H 32 11.370 11.370 8.296 3.074 19450
3508 1 22 . 1 1 33 33 CYS N N 33 109.017 109.017 115.415 -6.398 19450
3509 1 22 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.637 0.258 19450
3510 1 22 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.046 -3.772 19450
3511 1 22 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.297 7.496 19450
3512 1 22 . 1 1 33 33 CYS H H 33 7.904 7.904 7.170 0.734 19450
3513 1 22 . 1 1 34 34 GLY N N 34 110.854 110.854 110.367 0.487 19450
3514 1 22 . 1 1 34 34 GLY CA C 34 47.128 47.128 46.169 0.959 19450
3515 1 22 . 1 1 34 34 GLY H H 34 8.130 8.130 8.789 -0.659 19450
3516 1 22 . 1 1 35 35 LEU N N 35 118.448 118.448 118.972 -0.524 19450
3517 1 22 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.548 -0.050 19450
3518 1 22 . 1 1 35 35 LEU CA C 35 54.259 54.259 55.584 -1.325 19450
3519 1 22 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.962 -1.094 19450
3520 1 22 . 1 1 35 35 LEU H H 35 8.601 8.601 7.772 0.829 19450
3521 1 23 . 1 1 2 2 CYS N N 2 126.377 126.377 123.373 3.004 19450
3522 1 23 . 1 1 2 2 CYS CB C 2 38.890 38.890 27.419 11.471 19450
3523 1 23 . 1 1 2 2 CYS H H 2 9.029 9.029 8.405 0.624 19450
3524 1 23 . 1 1 3 3 GLU N N 3 124.885 124.885 121.864 3.021 19450
3525 1 23 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.377 0.329 19450
3526 1 23 . 1 1 3 3 GLU CA C 3 55.882 55.882 54.885 0.997 19450
3527 1 23 . 1 1 3 3 GLU CB C 3 32.564 32.564 32.617 -0.053 19450
3528 1 23 . 1 1 3 3 GLU H H 3 8.376 8.376 8.441 -0.065 19450
3529 1 23 . 1 1 4 4 ASP N N 4 121.930 121.930 120.650 1.280 19450
3530 1 23 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.782 0.366 19450
3531 1 23 . 1 1 4 4 ASP CA C 4 55.056 55.056 53.873 1.183 19450
3532 1 23 . 1 1 4 4 ASP CB C 4 43.228 43.228 40.241 2.987 19450
3533 1 23 . 1 1 4 4 ASP H H 4 8.876 8.876 8.645 0.231 19450
3534 1 23 . 1 1 5 5 LEU N N 5 119.092 119.092 122.765 -3.673 19450
3535 1 23 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.213 0.487 19450
3536 1 23 . 1 1 5 5 LEU CA C 5 54.430 54.430 56.379 -1.949 19450
3537 1 23 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.221 1.140 19450
3538 1 23 . 1 1 5 5 LEU H H 5 9.373 9.373 8.898 0.475 19450
3539 1 23 . 1 1 6 6 ASN N N 6 117.782 117.782 117.344 0.438 19450
3540 1 23 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.801 0.117 19450
3541 1 23 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.492 0.525 19450
3542 1 23 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.941 1.974 19450
3543 1 23 . 1 1 6 6 ASN H H 6 7.398 7.398 7.570 -0.172 19450
3544 1 23 . 1 1 7 7 ALA N N 7 130.815 130.815 127.406 3.409 19450
3545 1 23 . 1 1 7 7 ALA HA H 7 4.152 4.152 4.063 0.089 19450
3546 1 23 . 1 1 7 7 ALA CA C 7 54.108 54.108 53.582 0.526 19450
3547 1 23 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.619 -0.248 19450
3548 1 23 . 1 1 7 7 ALA H H 7 9.016 9.016 8.635 0.381 19450
3549 1 23 . 1 1 8 8 HIS N N 8 114.507 114.507 114.237 0.270 19450
3550 1 23 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.414 -0.079 19450
3551 1 23 . 1 1 8 8 HIS CA C 8 62.017 62.017 55.176 6.841 19450
3552 1 23 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.567 -2.971 19450
3553 1 23 . 1 1 8 8 HIS H H 8 9.346 9.346 7.719 1.627 19450
3554 1 23 . 1 1 9 9 CYS N N 9 116.419 116.419 118.980 -2.561 19450
3555 1 23 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.945 0.489 19450
3556 1 23 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.223 -3.434 19450
3557 1 23 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.482 10.450 19450
3558 1 23 . 1 1 9 9 CYS H H 9 7.505 7.505 7.566 -0.061 19450
3559 1 23 . 1 1 10 10 GLU N N 10 119.951 119.951 118.736 1.215 19450
3560 1 23 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.985 0.097 19450
3561 1 23 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.575 0.601 19450
3562 1 23 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.074 -0.927 19450
3563 1 23 . 1 1 10 10 GLU H H 10 8.848 8.848 8.463 0.385 19450
3564 1 23 . 1 1 11 11 MET N N 11 121.293 121.293 117.693 3.600 19450
3565 1 23 . 1 1 11 11 MET HA H 11 4.107 4.107 4.251 -0.144 19450
3566 1 23 . 1 1 11 11 MET CA C 11 58.574 58.574 58.960 -0.386 19450
3567 1 23 . 1 1 11 11 MET CB C 11 31.841 31.841 32.190 -0.349 19450
3568 1 23 . 1 1 11 11 MET H H 11 7.920 7.920 7.948 -0.028 19450
3569 1 23 . 1 1 12 12 TRP N N 12 118.764 118.764 118.147 0.617 19450
3570 1 23 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.867 0.378 19450
3571 1 23 . 1 1 12 12 TRP CA C 12 58.110 58.110 56.407 1.703 19450
3572 1 23 . 1 1 12 12 TRP CB C 12 28.680 28.680 28.162 0.518 19450
3573 1 23 . 1 1 12 12 TRP H H 12 8.383 8.383 8.012 0.371 19450
3574 1 23 . 1 1 13 13 GLN N N 13 123.583 123.583 119.982 3.601 19450
3575 1 23 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.128 0.107 19450
3576 1 23 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.612 0.599 19450
3577 1 23 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.700 -0.811 19450
3578 1 23 . 1 1 13 13 GLN H H 13 9.051 9.051 8.911 0.140 19450
3579 1 23 . 1 1 14 14 GLN N N 14 114.111 114.111 119.183 -5.072 19450
3580 1 23 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.194 -0.219 19450
3581 1 23 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.304 0.631 19450
3582 1 23 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.497 -0.498 19450
3583 1 23 . 1 1 14 14 GLN H H 14 8.359 8.359 8.395 -0.036 19450
3584 1 23 . 1 1 15 15 LEU N N 15 117.658 117.658 116.655 1.003 19450
3585 1 23 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.522 -0.051 19450
3586 1 23 . 1 1 15 15 LEU CA C 15 54.794 54.794 54.880 -0.086 19450
3587 1 23 . 1 1 15 15 LEU CB C 15 43.107 43.107 42.469 0.638 19450
3588 1 23 . 1 1 15 15 LEU H H 15 7.553 7.553 7.381 0.172 19450
3589 1 23 . 1 1 16 16 GLY N N 16 106.380 106.380 104.255 2.125 19450
3590 1 23 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.293 0.967 19450
3591 1 23 . 1 1 16 16 GLY H H 16 7.859 7.859 7.765 0.094 19450
3592 1 23 . 1 1 17 17 HIS N N 17 116.016 116.016 119.752 -3.736 19450
3593 1 23 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.338 -0.105 19450
3594 1 23 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.125 -1.213 19450
3595 1 23 . 1 1 17 17 HIS CB C 17 29.782 29.782 30.031 -0.249 19450
3596 1 23 . 1 1 17 17 HIS H H 17 8.606 8.606 9.066 -0.460 19450
3597 1 23 . 1 1 18 18 CYS N N 18 119.185 119.185 115.767 3.418 19450
3598 1 23 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.451 -0.431 19450
3599 1 23 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.332 -1.927 19450
3600 1 23 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.657 11.280 19450
3601 1 23 . 1 1 18 18 CYS H H 18 9.681 9.681 8.593 1.088 19450
3602 1 23 . 1 1 19 19 GLN N N 19 114.091 114.091 118.118 -4.027 19450
3603 1 23 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.044 0.240 19450
3604 1 23 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.178 -0.630 19450
3605 1 23 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.628 0.114 19450
3606 1 23 . 1 1 19 19 GLN H H 19 7.173 7.173 7.921 -0.748 19450
3607 1 23 . 1 1 20 20 TYR N N 20 116.340 116.340 114.881 1.459 19450
3608 1 23 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.641 -0.008 19450
3609 1 23 . 1 1 20 20 TYR CA C 20 58.801 58.801 58.934 -0.133 19450
3610 1 23 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.874 -0.900 19450
3611 1 23 . 1 1 20 20 TYR H H 20 7.442 7.442 8.239 -0.797 19450
3612 1 23 . 1 1 21 21 SER N N 21 123.873 123.873 113.757 10.116 19450
3613 1 23 . 1 1 21 21 SER HA H 21 4.933 4.933 5.111 -0.177 19450
3614 1 23 . 1 1 21 21 SER CA C 21 54.779 54.779 54.679 0.100 19450
3615 1 23 . 1 1 21 21 SER CB C 21 63.040 63.040 63.648 -0.608 19450
3616 1 23 . 1 1 21 21 SER H H 21 8.372 8.372 8.483 -0.111 19450
3617 1 23 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.607 -0.364 19450
3618 1 23 . 1 1 22 22 PRO CA C 22 65.637 65.637 64.141 1.496 19450
3619 1 23 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.406 -0.566 19450
3620 1 23 . 1 1 23 23 LYS N N 23 121.196 121.196 118.723 2.473 19450
3621 1 23 . 1 1 23 23 LYS HA H 23 4.126 4.126 3.985 0.141 19450
3622 1 23 . 1 1 23 23 LYS CA C 23 59.531 59.531 59.036 0.494 19450
3623 1 23 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.624 0.044 19450
3624 1 23 . 1 1 23 23 LYS H H 23 8.225 8.225 8.685 -0.460 19450
3625 1 23 . 1 1 24 24 TYR N N 24 120.716 120.716 113.692 7.024 19450
3626 1 23 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.859 -0.535 19450
3627 1 23 . 1 1 24 24 TYR CA C 24 55.347 55.347 58.840 -3.493 19450
3628 1 23 . 1 1 24 24 TYR CB C 24 39.369 39.369 39.079 0.290 19450
3629 1 23 . 1 1 24 24 TYR H H 24 8.318 8.318 7.538 0.780 19450
3630 1 23 . 1 1 25 25 MET N N 25 117.494 117.494 119.877 -2.383 19450
3631 1 23 . 1 1 25 25 MET HA H 25 4.344 4.344 4.579 -0.235 19450
3632 1 23 . 1 1 25 25 MET CA C 25 56.843 56.843 56.676 0.167 19450
3633 1 23 . 1 1 25 25 MET CB C 25 31.620 31.620 32.160 -0.540 19450
3634 1 23 . 1 1 25 25 MET H H 25 8.636 8.636 8.018 0.618 19450
3635 1 23 . 1 1 26 26 GLY N N 26 104.942 104.942 105.887 -0.945 19450
3636 1 23 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.468 -1.553 19450
3637 1 23 . 1 1 26 26 GLY H H 26 8.290 8.290 8.072 0.218 19450
3638 1 23 . 1 1 27 27 HIS N N 27 115.046 115.046 117.608 -2.562 19450
3639 1 23 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.553 0.013 19450
3640 1 23 . 1 1 27 27 HIS CA C 27 56.626 56.626 56.972 -0.346 19450
3641 1 23 . 1 1 27 27 HIS CB C 27 29.875 29.875 30.068 -0.193 19450
3642 1 23 . 1 1 27 27 HIS H H 27 7.206 7.206 8.354 -1.148 19450
3643 1 23 . 1 1 28 28 TYR N N 28 114.431 114.431 116.133 -1.702 19450
3644 1 23 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.639 -0.328 19450
3645 1 23 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.213 1.236 19450
3646 1 23 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.409 -1.747 19450
3647 1 23 . 1 1 28 28 TYR H H 28 8.199 8.199 7.725 0.474 19450
3648 1 23 . 1 1 29 29 CYS N N 29 119.776 119.776 119.067 0.709 19450
3649 1 23 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.865 1.141 19450
3650 1 23 . 1 1 29 29 CYS CA C 29 51.384 51.384 58.004 -6.620 19450
3651 1 23 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.391 9.664 19450
3652 1 23 . 1 1 29 29 CYS H H 29 8.466 8.466 9.130 -0.664 19450
3653 1 23 . 1 1 30 30 LYS N N 30 119.011 119.011 125.504 -6.493 19450
3654 1 23 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.263 -0.669 19450
3655 1 23 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.298 2.946 19450
3656 1 23 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.766 1.474 19450
3657 1 23 . 1 1 30 30 LYS H H 30 8.872 8.872 7.989 0.883 19450
3658 1 23 . 1 1 31 31 LYS N N 31 117.963 117.963 120.040 -2.077 19450
3659 1 23 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.876 0.152 19450
3660 1 23 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.331 -0.362 19450
3661 1 23 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.685 0.640 19450
3662 1 23 . 1 1 31 31 LYS H H 31 7.183 7.183 8.413 -1.230 19450
3663 1 23 . 1 1 32 32 ALA N N 32 129.495 129.495 118.560 10.935 19450
3664 1 23 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.236 -0.122 19450
3665 1 23 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.246 1.899 19450
3666 1 23 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.648 -0.556 19450
3667 1 23 . 1 1 32 32 ALA H H 32 11.370 11.370 8.274 3.096 19450
3668 1 23 . 1 1 33 33 CYS N N 33 109.017 109.017 115.926 -6.909 19450
3669 1 23 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.659 0.236 19450
3670 1 23 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.117 -3.843 19450
3671 1 23 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.593 7.199 19450
3672 1 23 . 1 1 33 33 CYS H H 33 7.904 7.904 7.444 0.460 19450
3673 1 23 . 1 1 34 34 GLY N N 34 110.854 110.854 109.748 1.106 19450
3674 1 23 . 1 1 34 34 GLY CA C 34 47.128 47.128 46.557 0.571 19450
3675 1 23 . 1 1 34 34 GLY H H 34 8.130 8.130 8.714 -0.584 19450
3676 1 23 . 1 1 35 35 LEU N N 35 118.448 118.448 119.446 -0.998 19450
3677 1 23 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.261 0.237 19450
3678 1 23 . 1 1 35 35 LEU CA C 35 54.259 54.259 56.010 -1.751 19450
3679 1 23 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.115 -0.247 19450
3680 1 23 . 1 1 35 35 LEU H H 35 8.601 8.601 7.557 1.044 19450
3681 1 24 . 1 1 2 2 CYS N N 2 126.377 126.377 124.710 1.667 19450
3682 1 24 . 1 1 2 2 CYS CB C 2 38.890 38.890 27.237 11.653 19450
3683 1 24 . 1 1 2 2 CYS H H 2 9.029 9.029 8.545 0.484 19450
3684 1 24 . 1 1 3 3 GLU N N 3 124.885 124.885 121.538 3.347 19450
3685 1 24 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.348 0.358 19450
3686 1 24 . 1 1 3 3 GLU CA C 3 55.882 55.882 55.370 0.512 19450
3687 1 24 . 1 1 3 3 GLU CB C 3 32.564 32.564 33.077 -0.513 19450
3688 1 24 . 1 1 3 3 GLU H H 3 8.376 8.376 8.396 -0.020 19450
3689 1 24 . 1 1 4 4 ASP N N 4 121.930 121.930 120.304 1.626 19450
3690 1 24 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.707 0.441 19450
3691 1 24 . 1 1 4 4 ASP CA C 4 55.056 55.056 54.468 0.588 19450
3692 1 24 . 1 1 4 4 ASP CB C 4 43.228 43.228 41.020 2.208 19450
3693 1 24 . 1 1 4 4 ASP H H 4 8.876 8.876 8.681 0.195 19450
3694 1 24 . 1 1 5 5 LEU N N 5 119.092 119.092 121.043 -1.951 19450
3695 1 24 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.391 0.309 19450
3696 1 24 . 1 1 5 5 LEU CA C 5 54.430 54.430 55.070 -0.640 19450
3697 1 24 . 1 1 5 5 LEU CB C 5 43.361 43.361 43.124 0.237 19450
3698 1 24 . 1 1 5 5 LEU H H 5 9.373 9.373 8.392 0.981 19450
3699 1 24 . 1 1 6 6 ASN N N 6 117.782 117.782 117.470 0.312 19450
3700 1 24 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.810 0.108 19450
3701 1 24 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.189 0.828 19450
3702 1 24 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.664 2.251 19450
3703 1 24 . 1 1 6 6 ASN H H 6 7.398 7.398 7.573 -0.175 19450
3704 1 24 . 1 1 7 7 ALA N N 7 130.815 130.815 127.377 3.438 19450
3705 1 24 . 1 1 7 7 ALA HA H 7 4.152 4.152 4.000 0.152 19450
3706 1 24 . 1 1 7 7 ALA CA C 7 54.108 54.108 54.254 -0.146 19450
3707 1 24 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.465 -0.095 19450
3708 1 24 . 1 1 7 7 ALA H H 7 9.016 9.016 8.575 0.441 19450
3709 1 24 . 1 1 8 8 HIS N N 8 114.507 114.507 114.355 0.152 19450
3710 1 24 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.265 0.070 19450
3711 1 24 . 1 1 8 8 HIS CA C 8 62.017 62.017 54.986 7.032 19450
3712 1 24 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.506 -2.910 19450
3713 1 24 . 1 1 8 8 HIS H H 8 9.346 9.346 7.789 1.557 19450
3714 1 24 . 1 1 9 9 CYS N N 9 116.419 116.419 119.222 -2.803 19450
3715 1 24 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.842 0.592 19450
3716 1 24 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.295 -3.506 19450
3717 1 24 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.676 10.256 19450
3718 1 24 . 1 1 9 9 CYS H H 9 7.505 7.505 7.681 -0.176 19450
3719 1 24 . 1 1 10 10 GLU N N 10 119.951 119.951 118.295 1.656 19450
3720 1 24 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.923 0.159 19450
3721 1 24 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.559 0.618 19450
3722 1 24 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.263 -1.116 19450
3723 1 24 . 1 1 10 10 GLU H H 10 8.848 8.848 8.371 0.477 19450
3724 1 24 . 1 1 11 11 MET N N 11 121.293 121.293 118.030 3.263 19450
3725 1 24 . 1 1 11 11 MET HA H 11 4.107 4.107 4.267 -0.160 19450
3726 1 24 . 1 1 11 11 MET CA C 11 58.574 58.574 57.721 0.853 19450
3727 1 24 . 1 1 11 11 MET CB C 11 31.841 31.841 31.290 0.551 19450
3728 1 24 . 1 1 11 11 MET H H 11 7.920 7.920 7.783 0.137 19450
3729 1 24 . 1 1 12 12 TRP N N 12 118.764 118.764 119.412 -0.648 19450
3730 1 24 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.672 0.573 19450
3731 1 24 . 1 1 12 12 TRP CA C 12 58.110 58.110 57.079 1.031 19450
3732 1 24 . 1 1 12 12 TRP CB C 12 28.680 28.680 27.363 1.317 19450
3733 1 24 . 1 1 12 12 TRP H H 12 8.383 8.383 8.379 0.004 19450
3734 1 24 . 1 1 13 13 GLN N N 13 123.583 123.583 119.588 3.995 19450
3735 1 24 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.125 0.110 19450
3736 1 24 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.627 0.584 19450
3737 1 24 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.814 -0.925 19450
3738 1 24 . 1 1 13 13 GLN H H 13 9.051 9.051 8.510 0.541 19450
3739 1 24 . 1 1 14 14 GLN N N 14 114.111 114.111 120.358 -6.247 19450
3740 1 24 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.165 -0.190 19450
3741 1 24 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.311 0.624 19450
3742 1 24 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.454 -0.455 19450
3743 1 24 . 1 1 14 14 GLN H H 14 8.359 8.359 8.277 0.082 19450
3744 1 24 . 1 1 15 15 LEU N N 15 117.658 117.658 117.381 0.277 19450
3745 1 24 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.465 0.006 19450
3746 1 24 . 1 1 15 15 LEU CA C 15 54.794 54.794 55.055 -0.261 19450
3747 1 24 . 1 1 15 15 LEU CB C 15 43.107 43.107 42.269 0.838 19450
3748 1 24 . 1 1 15 15 LEU H H 15 7.553 7.553 7.544 0.009 19450
3749 1 24 . 1 1 16 16 GLY N N 16 106.380 106.380 104.771 1.609 19450
3750 1 24 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.447 0.813 19450
3751 1 24 . 1 1 16 16 GLY H H 16 7.859 7.859 7.811 0.048 19450
3752 1 24 . 1 1 17 17 HIS N N 17 116.016 116.016 119.628 -3.612 19450
3753 1 24 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.344 -0.111 19450
3754 1 24 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.043 -1.131 19450
3755 1 24 . 1 1 17 17 HIS CB C 17 29.782 29.782 30.031 -0.249 19450
3756 1 24 . 1 1 17 17 HIS H H 17 8.606 8.606 9.254 -0.648 19450
3757 1 24 . 1 1 18 18 CYS N N 18 119.185 119.185 116.213 2.972 19450
3758 1 24 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.437 -0.417 19450
3759 1 24 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.270 -1.865 19450
3760 1 24 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.753 11.184 19450
3761 1 24 . 1 1 18 18 CYS H H 18 9.681 9.681 8.500 1.181 19450
3762 1 24 . 1 1 19 19 GLN N N 19 114.091 114.091 117.916 -3.825 19450
3763 1 24 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.015 0.269 19450
3764 1 24 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.177 -0.629 19450
3765 1 24 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.647 0.095 19450
3766 1 24 . 1 1 19 19 GLN H H 19 7.173 7.173 7.944 -0.771 19450
3767 1 24 . 1 1 20 20 TYR N N 20 116.340 116.340 114.905 1.435 19450
3768 1 24 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.637 -0.004 19450
3769 1 24 . 1 1 20 20 TYR CA C 20 58.801 58.801 59.115 -0.314 19450
3770 1 24 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.802 -0.828 19450
3771 1 24 . 1 1 20 20 TYR H H 20 7.442 7.442 8.237 -0.795 19450
3772 1 24 . 1 1 21 21 SER N N 21 123.873 123.873 113.465 10.408 19450
3773 1 24 . 1 1 21 21 SER HA H 21 4.933 4.933 5.123 -0.190 19450
3774 1 24 . 1 1 21 21 SER CA C 21 54.779 54.779 54.523 0.257 19450
3775 1 24 . 1 1 21 21 SER CB C 21 63.040 63.040 63.632 -0.592 19450
3776 1 24 . 1 1 21 21 SER H H 21 8.372 8.372 8.438 -0.066 19450
3777 1 24 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.589 -0.346 19450
3778 1 24 . 1 1 22 22 PRO CA C 22 65.637 65.637 64.194 1.443 19450
3779 1 24 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.394 -0.554 19450
3780 1 24 . 1 1 23 23 LYS N N 23 121.196 121.196 118.702 2.494 19450
3781 1 24 . 1 1 23 23 LYS HA H 23 4.126 4.126 3.977 0.149 19450
3782 1 24 . 1 1 23 23 LYS CA C 23 59.531 59.531 58.972 0.558 19450
3783 1 24 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.637 0.031 19450
3784 1 24 . 1 1 23 23 LYS H H 23 8.225 8.225 8.619 -0.394 19450
3785 1 24 . 1 1 24 24 TYR N N 24 120.716 120.716 114.548 6.168 19450
3786 1 24 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.761 -0.437 19450
3787 1 24 . 1 1 24 24 TYR CA C 24 55.347 55.347 59.339 -3.992 19450
3788 1 24 . 1 1 24 24 TYR CB C 24 39.369 39.369 39.027 0.342 19450
3789 1 24 . 1 1 24 24 TYR H H 24 8.318 8.318 7.636 0.682 19450
3790 1 24 . 1 1 25 25 MET N N 25 117.494 117.494 119.996 -2.502 19450
3791 1 24 . 1 1 25 25 MET HA H 25 4.344 4.344 4.609 -0.265 19450
3792 1 24 . 1 1 25 25 MET CA C 25 56.843 56.843 56.380 0.463 19450
3793 1 24 . 1 1 25 25 MET CB C 25 31.620 31.620 32.127 -0.507 19450
3794 1 24 . 1 1 25 25 MET H H 25 8.636 8.636 8.021 0.615 19450
3795 1 24 . 1 1 26 26 GLY N N 26 104.942 104.942 106.152 -1.210 19450
3796 1 24 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.309 -1.393 19450
3797 1 24 . 1 1 26 26 GLY H H 26 8.290 8.290 8.184 0.106 19450
3798 1 24 . 1 1 27 27 HIS N N 27 115.046 115.046 117.402 -2.356 19450
3799 1 24 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.537 0.029 19450
3800 1 24 . 1 1 27 27 HIS CA C 27 56.626 56.626 57.384 -0.758 19450
3801 1 24 . 1 1 27 27 HIS CB C 27 29.875 29.875 30.396 -0.521 19450
3802 1 24 . 1 1 27 27 HIS H H 27 7.206 7.206 8.501 -1.295 19450
3803 1 24 . 1 1 28 28 TYR N N 28 114.431 114.431 115.979 -1.548 19450
3804 1 24 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.635 -0.324 19450
3805 1 24 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.144 1.305 19450
3806 1 24 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.264 -1.602 19450
3807 1 24 . 1 1 28 28 TYR H H 28 8.199 8.199 7.709 0.490 19450
3808 1 24 . 1 1 29 29 CYS N N 29 119.776 119.776 119.456 0.320 19450
3809 1 24 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.873 1.133 19450
3810 1 24 . 1 1 29 29 CYS CA C 29 51.384 51.384 58.092 -6.708 19450
3811 1 24 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.850 9.205 19450
3812 1 24 . 1 1 29 29 CYS H H 29 8.466 8.466 9.142 -0.676 19450
3813 1 24 . 1 1 30 30 LYS N N 30 119.011 119.011 125.286 -6.275 19450
3814 1 24 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.255 -0.661 19450
3815 1 24 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.466 2.778 19450
3816 1 24 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.693 1.547 19450
3817 1 24 . 1 1 30 30 LYS H H 30 8.872 8.872 8.696 0.176 19450
3818 1 24 . 1 1 31 31 LYS N N 31 117.963 117.963 120.226 -2.263 19450
3819 1 24 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.876 0.152 19450
3820 1 24 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.326 -0.357 19450
3821 1 24 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.694 0.631 19450
3822 1 24 . 1 1 31 31 LYS H H 31 7.183 7.183 8.427 -1.244 19450
3823 1 24 . 1 1 32 32 ALA N N 32 129.495 129.495 119.939 9.556 19450
3824 1 24 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.272 -0.159 19450
3825 1 24 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.546 1.599 19450
3826 1 24 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.596 -0.505 19450
3827 1 24 . 1 1 32 32 ALA H H 32 11.370 11.370 8.313 3.057 19450
3828 1 24 . 1 1 33 33 CYS N N 33 109.017 109.017 115.504 -6.487 19450
3829 1 24 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.653 0.242 19450
3830 1 24 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.014 -3.740 19450
3831 1 24 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.139 7.654 19450
3832 1 24 . 1 1 33 33 CYS H H 33 7.904 7.904 7.176 0.728 19450
3833 1 24 . 1 1 34 34 GLY N N 34 110.854 110.854 110.373 0.481 19450
3834 1 24 . 1 1 34 34 GLY CA C 34 47.128 47.128 46.155 0.973 19450
3835 1 24 . 1 1 34 34 GLY H H 34 8.130 8.130 8.787 -0.657 19450
3836 1 24 . 1 1 35 35 LEU N N 35 118.448 118.448 118.948 -0.500 19450
3837 1 24 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.555 -0.057 19450
3838 1 24 . 1 1 35 35 LEU CA C 35 54.259 54.259 55.542 -1.283 19450
3839 1 24 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.959 -1.091 19450
3840 1 24 . 1 1 35 35 LEU H H 35 8.601 8.601 7.771 0.830 19450
3841 1 25 . 1 1 2 2 CYS N N 2 126.377 126.377 123.119 3.258 19450
3842 1 25 . 1 1 2 2 CYS CB C 2 38.890 38.890 27.722 11.168 19450
3843 1 25 . 1 1 2 2 CYS H H 2 9.029 9.029 8.515 0.514 19450
3844 1 25 . 1 1 3 3 GLU N N 3 124.885 124.885 121.563 3.322 19450
3845 1 25 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.375 0.331 19450
3846 1 25 . 1 1 3 3 GLU CA C 3 55.882 55.882 54.954 0.928 19450
3847 1 25 . 1 1 3 3 GLU CB C 3 32.564 32.564 32.578 -0.014 19450
3848 1 25 . 1 1 3 3 GLU H H 3 8.376 8.376 8.421 -0.045 19450
3849 1 25 . 1 1 4 4 ASP N N 4 121.930 121.930 120.664 1.266 19450
3850 1 25 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.815 0.333 19450
3851 1 25 . 1 1 4 4 ASP CA C 4 55.056 55.056 53.787 1.269 19450
3852 1 25 . 1 1 4 4 ASP CB C 4 43.228 43.228 40.276 2.952 19450
3853 1 25 . 1 1 4 4 ASP H H 4 8.876 8.876 8.654 0.222 19450
3854 1 25 . 1 1 5 5 LEU N N 5 119.092 119.092 122.633 -3.541 19450
3855 1 25 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.261 0.439 19450
3856 1 25 . 1 1 5 5 LEU CA C 5 54.430 54.430 56.139 -1.708 19450
3857 1 25 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.308 1.053 19450
3858 1 25 . 1 1 5 5 LEU H H 5 9.373 9.373 8.708 0.665 19450
3859 1 25 . 1 1 6 6 ASN N N 6 117.782 117.782 117.414 0.368 19450
3860 1 25 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.785 0.133 19450
3861 1 25 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.485 0.532 19450
3862 1 25 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.888 2.027 19450
3863 1 25 . 1 1 6 6 ASN H H 6 7.398 7.398 7.566 -0.168 19450
3864 1 25 . 1 1 7 7 ALA N N 7 130.815 130.815 127.599 3.216 19450
3865 1 25 . 1 1 7 7 ALA HA H 7 4.152 4.152 4.085 0.067 19450
3866 1 25 . 1 1 7 7 ALA CA C 7 54.108 54.108 53.812 0.296 19450
3867 1 25 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.686 -0.316 19450
3868 1 25 . 1 1 7 7 ALA H H 7 9.016 9.016 8.700 0.316 19450
3869 1 25 . 1 1 8 8 HIS N N 8 114.507 114.507 114.786 -0.279 19450
3870 1 25 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.282 0.053 19450
3871 1 25 . 1 1 8 8 HIS CA C 8 62.017 62.017 54.800 7.217 19450
3872 1 25 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.534 -2.938 19450
3873 1 25 . 1 1 8 8 HIS H H 8 9.346 9.346 7.872 1.474 19450
3874 1 25 . 1 1 9 9 CYS N N 9 116.419 116.419 119.092 -2.673 19450
3875 1 25 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.912 0.522 19450
3876 1 25 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.312 -3.522 19450
3877 1 25 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.371 10.561 19450
3878 1 25 . 1 1 9 9 CYS H H 9 7.505 7.505 7.783 -0.278 19450
3879 1 25 . 1 1 10 10 GLU N N 10 119.951 119.951 119.169 0.782 19450
3880 1 25 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.939 0.143 19450
3881 1 25 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.573 0.604 19450
3882 1 25 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.282 -1.135 19450
3883 1 25 . 1 1 10 10 GLU H H 10 8.848 8.848 8.220 0.628 19450
3884 1 25 . 1 1 11 11 MET N N 11 121.293 121.293 117.525 3.768 19450
3885 1 25 . 1 1 11 11 MET HA H 11 4.107 4.107 4.221 -0.114 19450
3886 1 25 . 1 1 11 11 MET CA C 11 58.574 58.574 58.774 -0.200 19450
3887 1 25 . 1 1 11 11 MET CB C 11 31.841 31.841 32.181 -0.340 19450
3888 1 25 . 1 1 11 11 MET H H 11 7.920 7.920 7.972 -0.052 19450
3889 1 25 . 1 1 12 12 TRP N N 12 118.764 118.764 118.179 0.585 19450
3890 1 25 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.841 0.404 19450
3891 1 25 . 1 1 12 12 TRP CA C 12 58.110 58.110 56.402 1.708 19450
3892 1 25 . 1 1 12 12 TRP CB C 12 28.680 28.680 28.088 0.592 19450
3893 1 25 . 1 1 12 12 TRP H H 12 8.383 8.383 8.000 0.383 19450
3894 1 25 . 1 1 13 13 GLN N N 13 123.583 123.583 120.310 3.273 19450
3895 1 25 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.061 0.174 19450
3896 1 25 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.672 0.539 19450
3897 1 25 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.673 -0.784 19450
3898 1 25 . 1 1 13 13 GLN H H 13 9.051 9.051 8.652 0.399 19450
3899 1 25 . 1 1 14 14 GLN N N 14 114.111 114.111 118.640 -4.529 19450
3900 1 25 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.148 -0.173 19450
3901 1 25 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.141 0.794 19450
3902 1 25 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.376 -0.377 19450
3903 1 25 . 1 1 14 14 GLN H H 14 8.359 8.359 8.172 0.187 19450
3904 1 25 . 1 1 15 15 LEU N N 15 117.658 117.658 118.460 -0.802 19450
3905 1 25 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.607 -0.136 19450
3906 1 25 . 1 1 15 15 LEU CA C 15 54.794 54.794 54.870 -0.076 19450
3907 1 25 . 1 1 15 15 LEU CB C 15 43.107 43.107 42.423 0.684 19450
3908 1 25 . 1 1 15 15 LEU H H 15 7.553 7.553 7.453 0.100 19450
3909 1 25 . 1 1 16 16 GLY N N 16 106.380 106.380 106.152 0.228 19450
3910 1 25 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.374 0.886 19450
3911 1 25 . 1 1 16 16 GLY H H 16 7.859 7.859 7.921 -0.062 19450
3912 1 25 . 1 1 17 17 HIS N N 17 116.016 116.016 119.578 -3.562 19450
3913 1 25 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.344 -0.111 19450
3914 1 25 . 1 1 17 17 HIS CA C 17 58.912 58.912 59.953 -1.041 19450
3915 1 25 . 1 1 17 17 HIS CB C 17 29.782 29.782 30.002 -0.220 19450
3916 1 25 . 1 1 17 17 HIS H H 17 8.606 8.606 9.045 -0.439 19450
3917 1 25 . 1 1 18 18 CYS N N 18 119.185 119.185 115.642 3.543 19450
3918 1 25 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.445 -0.425 19450
3919 1 25 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.546 -2.141 19450
3920 1 25 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.659 11.278 19450
3921 1 25 . 1 1 18 18 CYS H H 18 9.681 9.681 8.581 1.100 19450
3922 1 25 . 1 1 19 19 GLN N N 19 114.091 114.091 118.703 -4.612 19450
3923 1 25 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.013 0.271 19450
3924 1 25 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.444 -0.896 19450
3925 1 25 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.588 0.154 19450
3926 1 25 . 1 1 19 19 GLN H H 19 7.173 7.173 7.769 -0.596 19450
3927 1 25 . 1 1 20 20 TYR N N 20 116.340 116.340 115.066 1.274 19450
3928 1 25 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.652 -0.019 19450
3929 1 25 . 1 1 20 20 TYR CA C 20 58.801 58.801 59.055 -0.254 19450
3930 1 25 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.764 -0.790 19450
3931 1 25 . 1 1 20 20 TYR H H 20 7.442 7.442 8.272 -0.830 19450
3932 1 25 . 1 1 21 21 SER N N 21 123.873 123.873 114.222 9.651 19450
3933 1 25 . 1 1 21 21 SER HA H 21 4.933 4.933 5.108 -0.175 19450
3934 1 25 . 1 1 21 21 SER CA C 21 54.779 54.779 54.959 -0.180 19450
3935 1 25 . 1 1 21 21 SER CB C 21 63.040 63.040 63.684 -0.644 19450
3936 1 25 . 1 1 21 21 SER H H 21 8.372 8.372 8.505 -0.133 19450
3937 1 25 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.607 -0.364 19450
3938 1 25 . 1 1 22 22 PRO CA C 22 65.637 65.637 64.045 1.592 19450
3939 1 25 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.430 -0.590 19450
3940 1 25 . 1 1 23 23 LYS N N 23 121.196 121.196 118.824 2.372 19450
3941 1 25 . 1 1 23 23 LYS HA H 23 4.126 4.126 3.957 0.169 19450
3942 1 25 . 1 1 23 23 LYS CA C 23 59.531 59.531 58.951 0.580 19450
3943 1 25 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.601 0.067 19450
3944 1 25 . 1 1 23 23 LYS H H 23 8.225 8.225 8.606 -0.381 19450
3945 1 25 . 1 1 24 24 TYR N N 24 120.716 120.716 114.317 6.399 19450
3946 1 25 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.755 -0.431 19450
3947 1 25 . 1 1 24 24 TYR CA C 24 55.347 55.347 59.121 -3.774 19450
3948 1 25 . 1 1 24 24 TYR CB C 24 39.369 39.369 39.074 0.295 19450
3949 1 25 . 1 1 24 24 TYR H H 24 8.318 8.318 7.577 0.741 19450
3950 1 25 . 1 1 25 25 MET N N 25 117.494 117.494 120.035 -2.541 19450
3951 1 25 . 1 1 25 25 MET HA H 25 4.344 4.344 4.556 -0.212 19450
3952 1 25 . 1 1 25 25 MET CA C 25 56.843 56.843 56.601 0.242 19450
3953 1 25 . 1 1 25 25 MET CB C 25 31.620 31.620 32.133 -0.512 19450
3954 1 25 . 1 1 25 25 MET H H 25 8.636 8.636 7.987 0.649 19450
3955 1 25 . 1 1 26 26 GLY N N 26 104.942 104.942 106.130 -1.188 19450
3956 1 25 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.251 -1.336 19450
3957 1 25 . 1 1 26 26 GLY H H 26 8.290 8.290 8.146 0.144 19450
3958 1 25 . 1 1 27 27 HIS N N 27 115.046 115.046 117.345 -2.299 19450
3959 1 25 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.486 0.080 19450
3960 1 25 . 1 1 27 27 HIS CA C 27 56.626 56.626 57.922 -1.296 19450
3961 1 25 . 1 1 27 27 HIS CB C 27 29.875 29.875 30.139 -0.264 19450
3962 1 25 . 1 1 27 27 HIS H H 27 7.206 7.206 8.559 -1.353 19450
3963 1 25 . 1 1 28 28 TYR N N 28 114.431 114.431 116.261 -1.830 19450
3964 1 25 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.666 -0.355 19450
3965 1 25 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.198 1.251 19450
3966 1 25 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.288 -1.626 19450
3967 1 25 . 1 1 28 28 TYR H H 28 8.199 8.199 7.734 0.465 19450
3968 1 25 . 1 1 29 29 CYS N N 29 119.776 119.776 119.416 0.360 19450
3969 1 25 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.842 1.164 19450
3970 1 25 . 1 1 29 29 CYS CA C 29 51.384 51.384 58.196 -6.812 19450
3971 1 25 . 1 1 29 29 CYS CB C 29 37.055 37.055 26.948 10.107 19450
3972 1 25 . 1 1 29 29 CYS H H 29 8.466 8.466 9.060 -0.594 19450
3973 1 25 . 1 1 30 30 LYS N N 30 119.011 119.011 125.275 -6.264 19450
3974 1 25 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.248 -0.654 19450
3975 1 25 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.487 2.756 19450
3976 1 25 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.621 1.619 19450
3977 1 25 . 1 1 30 30 LYS H H 30 8.872 8.872 8.079 0.793 19450
3978 1 25 . 1 1 31 31 LYS N N 31 117.963 117.963 119.737 -1.774 19450
3979 1 25 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.896 0.132 19450
3980 1 25 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.244 -0.275 19450
3981 1 25 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.856 0.469 19450
3982 1 25 . 1 1 31 31 LYS H H 31 7.183 7.183 8.455 -1.272 19450
3983 1 25 . 1 1 32 32 ALA N N 32 129.495 129.495 118.494 11.001 19450
3984 1 25 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.308 -0.194 19450
3985 1 25 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.032 2.113 19450
3986 1 25 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.515 -0.423 19450
3987 1 25 . 1 1 32 32 ALA H H 32 11.370 11.370 8.185 3.185 19450
3988 1 25 . 1 1 33 33 CYS N N 33 109.017 109.017 116.006 -6.989 19450
3989 1 25 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.655 0.240 19450
3990 1 25 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.200 -3.925 19450
3991 1 25 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.335 7.458 19450
3992 1 25 . 1 1 33 33 CYS H H 33 7.904 7.904 7.423 0.481 19450
3993 1 25 . 1 1 34 34 GLY N N 34 110.854 110.854 109.313 1.541 19450
3994 1 25 . 1 1 34 34 GLY CA C 34 47.128 47.128 46.216 0.912 19450
3995 1 25 . 1 1 34 34 GLY H H 34 8.130 8.130 8.659 -0.529 19450
3996 1 25 . 1 1 35 35 LEU N N 35 118.448 118.448 119.998 -1.550 19450
3997 1 25 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.235 0.263 19450
3998 1 25 . 1 1 35 35 LEU CA C 35 54.259 54.259 56.216 -1.957 19450
3999 1 25 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.106 -0.238 19450
4000 1 25 . 1 1 35 35 LEU H H 35 8.601 8.601 7.638 0.963 19450
4001 1 26 . 1 1 2 2 CYS N N 2 126.377 126.377 122.153 4.224 19450
4002 1 26 . 1 1 2 2 CYS CB C 2 38.890 38.890 26.676 12.214 19450
4003 1 26 . 1 1 2 2 CYS H H 2 9.029 9.029 8.592 0.437 19450
4004 1 26 . 1 1 3 3 GLU N N 3 124.885 124.885 122.033 2.852 19450
4005 1 26 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.340 0.366 19450
4006 1 26 . 1 1 3 3 GLU CA C 3 55.882 55.882 55.040 0.842 19450
4007 1 26 . 1 1 3 3 GLU CB C 3 32.564 32.564 32.609 -0.045 19450
4008 1 26 . 1 1 3 3 GLU H H 3 8.376 8.376 8.389 -0.013 19450
4009 1 26 . 1 1 4 4 ASP N N 4 121.930 121.930 120.223 1.707 19450
4010 1 26 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.717 0.431 19450
4011 1 26 . 1 1 4 4 ASP CA C 4 55.056 55.056 54.245 0.811 19450
4012 1 26 . 1 1 4 4 ASP CB C 4 43.228 43.228 40.049 3.179 19450
4013 1 26 . 1 1 4 4 ASP H H 4 8.876 8.876 8.640 0.236 19450
4014 1 26 . 1 1 5 5 LEU N N 5 119.092 119.092 123.109 -4.017 19450
4015 1 26 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.151 0.549 19450
4016 1 26 . 1 1 5 5 LEU CA C 5 54.430 54.430 56.817 -2.387 19450
4017 1 26 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.196 1.165 19450
4018 1 26 . 1 1 5 5 LEU H H 5 9.373 9.373 8.766 0.607 19450
4019 1 26 . 1 1 6 6 ASN N N 6 117.782 117.782 116.727 1.055 19450
4020 1 26 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.768 0.150 19450
4021 1 26 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.065 0.952 19450
4022 1 26 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.427 2.488 19450
4023 1 26 . 1 1 6 6 ASN H H 6 7.398 7.398 7.584 -0.186 19450
4024 1 26 . 1 1 7 7 ALA N N 7 130.815 130.815 127.705 3.110 19450
4025 1 26 . 1 1 7 7 ALA HA H 7 4.152 4.152 4.083 0.069 19450
4026 1 26 . 1 1 7 7 ALA CA C 7 54.108 54.108 54.038 0.070 19450
4027 1 26 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.372 -0.002 19450
4028 1 26 . 1 1 7 7 ALA H H 7 9.016 9.016 8.588 0.428 19450
4029 1 26 . 1 1 8 8 HIS N N 8 114.507 114.507 114.948 -0.441 19450
4030 1 26 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.247 0.088 19450
4031 1 26 . 1 1 8 8 HIS CA C 8 62.017 62.017 55.596 6.421 19450
4032 1 26 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.727 -3.131 19450
4033 1 26 . 1 1 8 8 HIS H H 8 9.346 9.346 7.831 1.515 19450
4034 1 26 . 1 1 9 9 CYS N N 9 116.419 116.419 119.166 -2.747 19450
4035 1 26 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.888 0.546 19450
4036 1 26 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.312 -3.523 19450
4037 1 26 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.341 10.591 19450
4038 1 26 . 1 1 9 9 CYS H H 9 7.505 7.505 7.758 -0.253 19450
4039 1 26 . 1 1 10 10 GLU N N 10 119.951 119.951 119.394 0.557 19450
4040 1 26 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.949 0.133 19450
4041 1 26 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.847 0.330 19450
4042 1 26 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.349 -1.202 19450
4043 1 26 . 1 1 10 10 GLU H H 10 8.848 8.848 8.342 0.506 19450
4044 1 26 . 1 1 11 11 MET N N 11 121.293 121.293 117.480 3.813 19450
4045 1 26 . 1 1 11 11 MET HA H 11 4.107 4.107 4.273 -0.166 19450
4046 1 26 . 1 1 11 11 MET CA C 11 58.574 58.574 57.801 0.773 19450
4047 1 26 . 1 1 11 11 MET CB C 11 31.841 31.841 31.319 0.522 19450
4048 1 26 . 1 1 11 11 MET H H 11 7.920 7.920 7.208 0.712 19450
4049 1 26 . 1 1 12 12 TRP N N 12 118.764 118.764 118.944 -0.180 19450
4050 1 26 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.877 0.368 19450
4051 1 26 . 1 1 12 12 TRP CA C 12 58.110 58.110 56.670 1.440 19450
4052 1 26 . 1 1 12 12 TRP CB C 12 28.680 28.680 27.871 0.809 19450
4053 1 26 . 1 1 12 12 TRP H H 12 8.383 8.383 8.004 0.379 19450
4054 1 26 . 1 1 13 13 GLN N N 13 123.583 123.583 119.709 3.874 19450
4055 1 26 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.153 0.082 19450
4056 1 26 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.583 0.628 19450
4057 1 26 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.801 -0.912 19450
4058 1 26 . 1 1 13 13 GLN H H 13 9.051 9.051 8.918 0.133 19450
4059 1 26 . 1 1 14 14 GLN N N 14 114.111 114.111 119.348 -5.237 19450
4060 1 26 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.114 -0.139 19450
4061 1 26 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.286 0.649 19450
4062 1 26 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.254 -0.255 19450
4063 1 26 . 1 1 14 14 GLN H H 14 8.359 8.359 8.081 0.278 19450
4064 1 26 . 1 1 15 15 LEU N N 15 117.658 117.658 117.904 -0.246 19450
4065 1 26 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.440 0.031 19450
4066 1 26 . 1 1 15 15 LEU CA C 15 54.794 54.794 54.967 -0.173 19450
4067 1 26 . 1 1 15 15 LEU CB C 15 43.107 43.107 42.174 0.933 19450
4068 1 26 . 1 1 15 15 LEU H H 15 7.553 7.553 7.260 0.293 19450
4069 1 26 . 1 1 16 16 GLY N N 16 106.380 106.380 104.850 1.530 19450
4070 1 26 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.411 0.848 19450
4071 1 26 . 1 1 16 16 GLY H H 16 7.859 7.859 7.860 -0.001 19450
4072 1 26 . 1 1 17 17 HIS N N 17 116.016 116.016 119.866 -3.850 19450
4073 1 26 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.303 -0.070 19450
4074 1 26 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.155 -1.243 19450
4075 1 26 . 1 1 17 17 HIS CB C 17 29.782 29.782 29.988 -0.206 19450
4076 1 26 . 1 1 17 17 HIS H H 17 8.606 8.606 9.198 -0.592 19450
4077 1 26 . 1 1 18 18 CYS N N 18 119.185 119.185 116.007 3.178 19450
4078 1 26 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.495 -0.475 19450
4079 1 26 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.373 -1.968 19450
4080 1 26 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.782 11.155 19450
4081 1 26 . 1 1 18 18 CYS H H 18 9.681 9.681 8.611 1.070 19450
4082 1 26 . 1 1 19 19 GLN N N 19 114.091 114.091 118.061 -3.970 19450
4083 1 26 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.039 0.245 19450
4084 1 26 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.112 -0.564 19450
4085 1 26 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.516 0.226 19450
4086 1 26 . 1 1 19 19 GLN H H 19 7.173 7.173 7.650 -0.477 19450
4087 1 26 . 1 1 20 20 TYR N N 20 116.340 116.340 115.381 0.959 19450
4088 1 26 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.636 -0.003 19450
4089 1 26 . 1 1 20 20 TYR CA C 20 58.801 58.801 59.257 -0.456 19450
4090 1 26 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.801 -0.827 19450
4091 1 26 . 1 1 20 20 TYR H H 20 7.442 7.442 8.297 -0.855 19450
4092 1 26 . 1 1 21 21 SER N N 21 123.873 123.873 113.280 10.593 19450
4093 1 26 . 1 1 21 21 SER HA H 21 4.933 4.933 5.085 -0.152 19450
4094 1 26 . 1 1 21 21 SER CA C 21 54.779 54.779 54.462 0.317 19450
4095 1 26 . 1 1 21 21 SER CB C 21 63.040 63.040 63.800 -0.759 19450
4096 1 26 . 1 1 21 21 SER H H 21 8.372 8.372 8.374 -0.002 19450
4097 1 26 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.584 -0.341 19450
4098 1 26 . 1 1 22 22 PRO CA C 22 65.637 65.637 64.004 1.633 19450
4099 1 26 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.398 -0.558 19450
4100 1 26 . 1 1 23 23 LYS N N 23 121.196 121.196 118.695 2.501 19450
4101 1 26 . 1 1 23 23 LYS HA H 23 4.126 4.126 3.977 0.149 19450
4102 1 26 . 1 1 23 23 LYS CA C 23 59.531 59.531 59.029 0.502 19450
4103 1 26 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.546 0.122 19450
4104 1 26 . 1 1 23 23 LYS H H 23 8.225 8.225 8.621 -0.396 19450
4105 1 26 . 1 1 24 24 TYR N N 24 120.716 120.716 113.616 7.100 19450
4106 1 26 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.782 -0.458 19450
4107 1 26 . 1 1 24 24 TYR CA C 24 55.347 55.347 58.847 -3.500 19450
4108 1 26 . 1 1 24 24 TYR CB C 24 39.369 39.369 39.100 0.269 19450
4109 1 26 . 1 1 24 24 TYR H H 24 8.318 8.318 7.412 0.906 19450
4110 1 26 . 1 1 25 25 MET N N 25 117.494 117.494 119.286 -1.792 19450
4111 1 26 . 1 1 25 25 MET HA H 25 4.344 4.344 4.636 -0.292 19450
4112 1 26 . 1 1 25 25 MET CA C 25 56.843 56.843 55.865 0.978 19450
4113 1 26 . 1 1 25 25 MET CB C 25 31.620 31.620 32.353 -0.733 19450
4114 1 26 . 1 1 25 25 MET H H 25 8.636 8.636 7.686 0.950 19450
4115 1 26 . 1 1 26 26 GLY N N 26 104.942 104.942 106.023 -1.081 19450
4116 1 26 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.419 -1.504 19450
4117 1 26 . 1 1 26 26 GLY H H 26 8.290 8.290 8.237 0.053 19450
4118 1 26 . 1 1 27 27 HIS N N 27 115.046 115.046 117.587 -2.541 19450
4119 1 26 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.536 0.030 19450
4120 1 26 . 1 1 27 27 HIS CA C 27 56.626 56.626 57.008 -0.382 19450
4121 1 26 . 1 1 27 27 HIS CB C 27 29.875 29.875 30.005 -0.130 19450
4122 1 26 . 1 1 27 27 HIS H H 27 7.206 7.206 8.327 -1.121 19450
4123 1 26 . 1 1 28 28 TYR N N 28 114.431 114.431 115.912 -1.481 19450
4124 1 26 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.639 -0.328 19450
4125 1 26 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.122 1.327 19450
4126 1 26 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.379 -1.717 19450
4127 1 26 . 1 1 28 28 TYR H H 28 8.199 8.199 7.770 0.429 19450
4128 1 26 . 1 1 29 29 CYS N N 29 119.776 119.776 119.921 -0.145 19450
4129 1 26 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.906 1.100 19450
4130 1 26 . 1 1 29 29 CYS CA C 29 51.384 51.384 58.352 -6.968 19450
4131 1 26 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.607 9.448 19450
4132 1 26 . 1 1 29 29 CYS H H 29 8.466 8.466 9.164 -0.698 19450
4133 1 26 . 1 1 30 30 LYS N N 30 119.011 119.011 125.470 -6.459 19450
4134 1 26 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.254 -0.660 19450
4135 1 26 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.447 2.797 19450
4136 1 26 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.635 1.605 19450
4137 1 26 . 1 1 30 30 LYS H H 30 8.872 8.872 8.697 0.175 19450
4138 1 26 . 1 1 31 31 LYS N N 31 117.963 117.963 120.340 -2.377 19450
4139 1 26 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.876 0.152 19450
4140 1 26 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.291 -0.322 19450
4141 1 26 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.702 0.623 19450
4142 1 26 . 1 1 31 31 LYS H H 31 7.183 7.183 8.443 -1.260 19450
4143 1 26 . 1 1 32 32 ALA N N 32 129.495 129.495 119.338 10.157 19450
4144 1 26 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.242 -0.128 19450
4145 1 26 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.685 1.460 19450
4146 1 26 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.639 -0.547 19450
4147 1 26 . 1 1 32 32 ALA H H 32 11.370 11.370 8.295 3.075 19450
4148 1 26 . 1 1 33 33 CYS N N 33 109.017 109.017 115.284 -6.267 19450
4149 1 26 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.536 0.359 19450
4150 1 26 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.439 -4.165 19450
4151 1 26 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.560 7.233 19450
4152 1 26 . 1 1 33 33 CYS H H 33 7.904 7.904 7.152 0.752 19450
4153 1 26 . 1 1 34 34 GLY N N 34 110.854 110.854 109.700 1.154 19450
4154 1 26 . 1 1 34 34 GLY CA C 34 47.128 47.128 45.909 1.219 19450
4155 1 26 . 1 1 34 34 GLY H H 34 8.130 8.130 8.777 -0.647 19450
4156 1 26 . 1 1 35 35 LEU N N 35 118.448 118.448 118.493 -0.045 19450
4157 1 26 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.606 -0.108 19450
4158 1 26 . 1 1 35 35 LEU CA C 35 54.259 54.259 55.358 -1.099 19450
4159 1 26 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.775 -0.907 19450
4160 1 26 . 1 1 35 35 LEU H H 35 8.601 8.601 7.300 1.301 19450
4161 1 27 . 1 1 2 2 CYS N N 2 126.377 126.377 124.869 1.508 19450
4162 1 27 . 1 1 2 2 CYS CB C 2 38.890 38.890 26.882 12.008 19450
4163 1 27 . 1 1 2 2 CYS H H 2 9.029 9.029 8.540 0.489 19450
4164 1 27 . 1 1 3 3 GLU N N 3 124.885 124.885 122.693 2.192 19450
4165 1 27 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.412 0.294 19450
4166 1 27 . 1 1 3 3 GLU CA C 3 55.882 55.882 55.377 0.506 19450
4167 1 27 . 1 1 3 3 GLU CB C 3 32.564 32.564 32.446 0.118 19450
4168 1 27 . 1 1 3 3 GLU H H 3 8.376 8.376 8.416 -0.040 19450
4169 1 27 . 1 1 4 4 ASP N N 4 121.930 121.930 119.703 2.227 19450
4170 1 27 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.549 0.599 19450
4171 1 27 . 1 1 4 4 ASP CA C 4 55.056 55.056 54.319 0.737 19450
4172 1 27 . 1 1 4 4 ASP CB C 4 43.228 43.228 40.615 2.613 19450
4173 1 27 . 1 1 4 4 ASP H H 4 8.876 8.876 8.349 0.527 19450
4174 1 27 . 1 1 5 5 LEU N N 5 119.092 119.092 121.413 -2.321 19450
4175 1 27 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.414 0.286 19450
4176 1 27 . 1 1 5 5 LEU CA C 5 54.430 54.430 54.823 -0.393 19450
4177 1 27 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.674 0.687 19450
4178 1 27 . 1 1 5 5 LEU H H 5 9.373 9.373 8.127 1.246 19450
4179 1 27 . 1 1 6 6 ASN N N 6 117.782 117.782 117.608 0.174 19450
4180 1 27 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.798 0.120 19450
4181 1 27 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.180 0.837 19450
4182 1 27 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.634 2.281 19450
4183 1 27 . 1 1 6 6 ASN H H 6 7.398 7.398 7.586 -0.188 19450
4184 1 27 . 1 1 7 7 ALA N N 7 130.815 130.815 127.568 3.247 19450
4185 1 27 . 1 1 7 7 ALA HA H 7 4.152 4.152 4.000 0.152 19450
4186 1 27 . 1 1 7 7 ALA CA C 7 54.108 54.108 54.204 -0.096 19450
4187 1 27 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.409 -0.038 19450
4188 1 27 . 1 1 7 7 ALA H H 7 9.016 9.016 8.585 0.431 19450
4189 1 27 . 1 1 8 8 HIS N N 8 114.507 114.507 114.121 0.386 19450
4190 1 27 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.297 0.038 19450
4191 1 27 . 1 1 8 8 HIS CA C 8 62.017 62.017 54.829 7.188 19450
4192 1 27 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.469 -2.873 19450
4193 1 27 . 1 1 8 8 HIS H H 8 9.346 9.346 7.679 1.667 19450
4194 1 27 . 1 1 9 9 CYS N N 9 116.419 116.419 119.447 -3.028 19450
4195 1 27 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.892 0.542 19450
4196 1 27 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.125 -3.336 19450
4197 1 27 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.558 10.374 19450
4198 1 27 . 1 1 9 9 CYS H H 9 7.505 7.505 7.859 -0.354 19450
4199 1 27 . 1 1 10 10 GLU N N 10 119.951 119.951 118.261 1.690 19450
4200 1 27 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.996 0.086 19450
4201 1 27 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.657 0.520 19450
4202 1 27 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.006 -0.860 19450
4203 1 27 . 1 1 10 10 GLU H H 10 8.848 8.848 8.450 0.398 19450
4204 1 27 . 1 1 11 11 MET N N 11 121.293 121.293 118.087 3.206 19450
4205 1 27 . 1 1 11 11 MET HA H 11 4.107 4.107 4.157 -0.050 19450
4206 1 27 . 1 1 11 11 MET CA C 11 58.574 58.574 57.834 0.740 19450
4207 1 27 . 1 1 11 11 MET CB C 11 31.841 31.841 31.337 0.504 19450
4208 1 27 . 1 1 11 11 MET H H 11 7.920 7.920 7.859 0.061 19450
4209 1 27 . 1 1 12 12 TRP N N 12 118.764 118.764 119.541 -0.777 19450
4210 1 27 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.659 0.586 19450
4211 1 27 . 1 1 12 12 TRP CA C 12 58.110 58.110 57.028 1.082 19450
4212 1 27 . 1 1 12 12 TRP CB C 12 28.680 28.680 27.386 1.294 19450
4213 1 27 . 1 1 12 12 TRP H H 12 8.383 8.383 8.424 -0.041 19450
4214 1 27 . 1 1 13 13 GLN N N 13 123.583 123.583 119.540 4.043 19450
4215 1 27 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.138 0.097 19450
4216 1 27 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.627 0.584 19450
4217 1 27 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.848 -0.959 19450
4218 1 27 . 1 1 13 13 GLN H H 13 9.051 9.051 8.548 0.503 19450
4219 1 27 . 1 1 14 14 GLN N N 14 114.111 114.111 120.464 -6.353 19450
4220 1 27 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.165 -0.190 19450
4221 1 27 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.333 0.602 19450
4222 1 27 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.462 -0.463 19450
4223 1 27 . 1 1 14 14 GLN H H 14 8.359 8.359 8.399 -0.040 19450
4224 1 27 . 1 1 15 15 LEU N N 15 117.658 117.658 117.135 0.523 19450
4225 1 27 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.442 0.029 19450
4226 1 27 . 1 1 15 15 LEU CA C 15 54.794 54.794 55.116 -0.322 19450
4227 1 27 . 1 1 15 15 LEU CB C 15 43.107 43.107 42.271 0.836 19450
4228 1 27 . 1 1 15 15 LEU H H 15 7.553 7.553 7.553 0.000 19450
4229 1 27 . 1 1 16 16 GLY N N 16 106.380 106.380 104.306 2.074 19450
4230 1 27 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.380 0.880 19450
4231 1 27 . 1 1 16 16 GLY H H 16 7.859 7.859 7.789 0.070 19450
4232 1 27 . 1 1 17 17 HIS N N 17 116.016 116.016 119.866 -3.850 19450
4233 1 27 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.311 -0.078 19450
4234 1 27 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.274 -1.362 19450
4235 1 27 . 1 1 17 17 HIS CB C 17 29.782 29.782 30.044 -0.262 19450
4236 1 27 . 1 1 17 17 HIS H H 17 8.606 8.606 9.250 -0.644 19450
4237 1 27 . 1 1 18 18 CYS N N 18 119.185 119.185 115.546 3.639 19450
4238 1 27 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.442 -0.422 19450
4239 1 27 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.572 -2.167 19450
4240 1 27 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.525 11.412 19450
4241 1 27 . 1 1 18 18 CYS H H 18 9.681 9.681 8.599 1.082 19450
4242 1 27 . 1 1 19 19 GLN N N 19 114.091 114.091 118.704 -4.613 19450
4243 1 27 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.020 0.264 19450
4244 1 27 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.464 -0.916 19450
4245 1 27 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.636 0.106 19450
4246 1 27 . 1 1 19 19 GLN H H 19 7.173 7.173 7.747 -0.574 19450
4247 1 27 . 1 1 20 20 TYR N N 20 116.340 116.340 116.116 0.224 19450
4248 1 27 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.595 0.038 19450
4249 1 27 . 1 1 20 20 TYR CA C 20 58.801 58.801 59.584 -0.783 19450
4250 1 27 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.722 -0.749 19450
4251 1 27 . 1 1 20 20 TYR H H 20 7.442 7.442 8.238 -0.796 19450
4252 1 27 . 1 1 21 21 SER N N 21 123.873 123.873 113.944 9.929 19450
4253 1 27 . 1 1 21 21 SER HA H 21 4.933 4.933 5.112 -0.179 19450
4254 1 27 . 1 1 21 21 SER CA C 21 54.779 54.779 54.991 -0.212 19450
4255 1 27 . 1 1 21 21 SER CB C 21 63.040 63.040 64.009 -0.969 19450
4256 1 27 . 1 1 21 21 SER H H 21 8.372 8.372 8.557 -0.185 19450
4257 1 27 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.496 -0.253 19450
4258 1 27 . 1 1 22 22 PRO CA C 22 65.637 65.637 64.240 1.397 19450
4259 1 27 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.186 -0.346 19450
4260 1 27 . 1 1 23 23 LYS N N 23 121.196 121.196 118.990 2.206 19450
4261 1 27 . 1 1 23 23 LYS HA H 23 4.126 4.126 3.994 0.132 19450
4262 1 27 . 1 1 23 23 LYS CA C 23 59.531 59.531 58.913 0.618 19450
4263 1 27 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.878 -0.210 19450
4264 1 27 . 1 1 23 23 LYS H H 23 8.225 8.225 8.591 -0.366 19450
4265 1 27 . 1 1 24 24 TYR N N 24 120.716 120.716 114.401 6.315 19450
4266 1 27 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.817 -0.493 19450
4267 1 27 . 1 1 24 24 TYR CA C 24 55.347 55.347 59.119 -3.772 19450
4268 1 27 . 1 1 24 24 TYR CB C 24 39.369 39.369 39.230 0.139 19450
4269 1 27 . 1 1 24 24 TYR H H 24 8.318 8.318 7.638 0.680 19450
4270 1 27 . 1 1 25 25 MET N N 25 117.494 117.494 119.988 -2.494 19450
4271 1 27 . 1 1 25 25 MET HA H 25 4.344 4.344 4.543 -0.199 19450
4272 1 27 . 1 1 25 25 MET CA C 25 56.843 56.843 56.624 0.219 19450
4273 1 27 . 1 1 25 25 MET CB C 25 31.620 31.620 32.078 -0.458 19450
4274 1 27 . 1 1 25 25 MET H H 25 8.636 8.636 7.990 0.646 19450
4275 1 27 . 1 1 26 26 GLY N N 26 104.942 104.942 105.984 -1.042 19450
4276 1 27 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.275 -1.360 19450
4277 1 27 . 1 1 26 26 GLY H H 26 8.290 8.290 8.190 0.100 19450
4278 1 27 . 1 1 27 27 HIS N N 27 115.046 115.046 117.186 -2.140 19450
4279 1 27 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.472 0.094 19450
4280 1 27 . 1 1 27 27 HIS CA C 27 56.626 56.626 57.330 -0.704 19450
4281 1 27 . 1 1 27 27 HIS CB C 27 29.875 29.875 29.880 -0.005 19450
4282 1 27 . 1 1 27 27 HIS H H 27 7.206 7.206 8.325 -1.119 19450
4283 1 27 . 1 1 28 28 TYR N N 28 114.431 114.431 116.663 -2.232 19450
4284 1 27 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.634 -0.323 19450
4285 1 27 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.342 1.107 19450
4286 1 27 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.031 -1.369 19450
4287 1 27 . 1 1 28 28 TYR H H 28 8.199 8.199 7.690 0.509 19450
4288 1 27 . 1 1 29 29 CYS N N 29 119.776 119.776 119.477 0.299 19450
4289 1 27 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.893 1.113 19450
4290 1 27 . 1 1 29 29 CYS CA C 29 51.384 51.384 58.141 -6.757 19450
4291 1 27 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.658 9.397 19450
4292 1 27 . 1 1 29 29 CYS H H 29 8.466 8.466 9.118 -0.652 19450
4293 1 27 . 1 1 30 30 LYS N N 30 119.011 119.011 125.894 -6.883 19450
4294 1 27 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.199 -0.605 19450
4295 1 27 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.210 3.034 19450
4296 1 27 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.644 1.596 19450
4297 1 27 . 1 1 30 30 LYS H H 30 8.872 8.872 8.778 0.094 19450
4298 1 27 . 1 1 31 31 LYS N N 31 117.963 117.963 120.523 -2.560 19450
4299 1 27 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.871 0.157 19450
4300 1 27 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.173 -0.204 19450
4301 1 27 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.873 0.452 19450
4302 1 27 . 1 1 31 31 LYS H H 31 7.183 7.183 8.437 -1.254 19450
4303 1 27 . 1 1 32 32 ALA N N 32 129.495 129.495 118.172 11.323 19450
4304 1 27 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.234 -0.120 19450
4305 1 27 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.425 1.720 19450
4306 1 27 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.504 -0.412 19450
4307 1 27 . 1 1 32 32 ALA H H 32 11.370 11.370 8.207 3.163 19450
4308 1 27 . 1 1 33 33 CYS N N 33 109.017 109.017 116.046 -7.029 19450
4309 1 27 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.661 0.234 19450
4310 1 27 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.002 -3.728 19450
4311 1 27 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.222 7.571 19450
4312 1 27 . 1 1 33 33 CYS H H 33 7.904 7.904 7.415 0.489 19450
4313 1 27 . 1 1 34 34 GLY N N 34 110.854 110.854 109.399 1.455 19450
4314 1 27 . 1 1 34 34 GLY CA C 34 47.128 47.128 45.644 1.484 19450
4315 1 27 . 1 1 34 34 GLY H H 34 8.130 8.130 8.672 -0.542 19450
4316 1 27 . 1 1 35 35 LEU N N 35 118.448 118.448 120.151 -1.703 19450
4317 1 27 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.502 -0.004 19450
4318 1 27 . 1 1 35 35 LEU CA C 35 54.259 54.259 56.195 -1.936 19450
4319 1 27 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.871 -1.003 19450
4320 1 27 . 1 1 35 35 LEU H H 35 8.601 8.601 7.888 0.713 19450
4321 1 28 . 1 1 2 2 CYS N N 2 126.377 126.377 123.299 3.078 19450
4322 1 28 . 1 1 2 2 CYS CB C 2 38.890 38.890 27.078 11.812 19450
4323 1 28 . 1 1 2 2 CYS H H 2 9.029 9.029 8.510 0.519 19450
4324 1 28 . 1 1 3 3 GLU N N 3 124.885 124.885 123.200 1.685 19450
4325 1 28 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.374 0.332 19450
4326 1 28 . 1 1 3 3 GLU CA C 3 55.882 55.882 55.293 0.589 19450
4327 1 28 . 1 1 3 3 GLU CB C 3 32.564 32.564 32.742 -0.178 19450
4328 1 28 . 1 1 3 3 GLU H H 3 8.376 8.376 8.305 0.071 19450
4329 1 28 . 1 1 4 4 ASP N N 4 121.930 121.930 119.376 2.554 19450
4330 1 28 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.606 0.542 19450
4331 1 28 . 1 1 4 4 ASP CA C 4 55.056 55.056 54.611 0.445 19450
4332 1 28 . 1 1 4 4 ASP CB C 4 43.228 43.228 40.927 2.301 19450
4333 1 28 . 1 1 4 4 ASP H H 4 8.876 8.876 8.578 0.298 19450
4334 1 28 . 1 1 5 5 LEU N N 5 119.092 119.092 121.741 -2.649 19450
4335 1 28 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.402 0.298 19450
4336 1 28 . 1 1 5 5 LEU CA C 5 54.430 54.430 54.894 -0.464 19450
4337 1 28 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.667 0.694 19450
4338 1 28 . 1 1 5 5 LEU H H 5 9.373 9.373 8.412 0.961 19450
4339 1 28 . 1 1 6 6 ASN N N 6 117.782 117.782 117.942 -0.160 19450
4340 1 28 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.806 0.112 19450
4341 1 28 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.466 0.551 19450
4342 1 28 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.955 1.960 19450
4343 1 28 . 1 1 6 6 ASN H H 6 7.398 7.398 7.641 -0.243 19450
4344 1 28 . 1 1 7 7 ALA N N 7 130.815 130.815 127.558 3.257 19450
4345 1 28 . 1 1 7 7 ALA HA H 7 4.152 4.152 4.058 0.094 19450
4346 1 28 . 1 1 7 7 ALA CA C 7 54.108 54.108 53.918 0.190 19450
4347 1 28 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.640 -0.270 19450
4348 1 28 . 1 1 7 7 ALA H H 7 9.016 9.016 8.689 0.327 19450
4349 1 28 . 1 1 8 8 HIS N N 8 114.507 114.507 114.106 0.401 19450
4350 1 28 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.342 -0.007 19450
4351 1 28 . 1 1 8 8 HIS CA C 8 62.017 62.017 54.569 7.449 19450
4352 1 28 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.692 -3.096 19450
4353 1 28 . 1 1 8 8 HIS H H 8 9.346 9.346 7.842 1.504 19450
4354 1 28 . 1 1 9 9 CYS N N 9 116.419 116.419 119.258 -2.839 19450
4355 1 28 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.842 0.592 19450
4356 1 28 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.266 -3.477 19450
4357 1 28 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.745 10.187 19450
4358 1 28 . 1 1 9 9 CYS H H 9 7.505 7.505 7.782 -0.277 19450
4359 1 28 . 1 1 10 10 GLU N N 10 119.951 119.951 118.321 1.630 19450
4360 1 28 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.921 0.161 19450
4361 1 28 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.621 0.556 19450
4362 1 28 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.278 -1.131 19450
4363 1 28 . 1 1 10 10 GLU H H 10 8.848 8.848 8.423 0.425 19450
4364 1 28 . 1 1 11 11 MET N N 11 121.293 121.293 117.841 3.452 19450
4365 1 28 . 1 1 11 11 MET HA H 11 4.107 4.107 4.284 -0.177 19450
4366 1 28 . 1 1 11 11 MET CA C 11 58.574 58.574 57.724 0.850 19450
4367 1 28 . 1 1 11 11 MET CB C 11 31.841 31.841 31.253 0.588 19450
4368 1 28 . 1 1 11 11 MET H H 11 7.920 7.920 7.814 0.106 19450
4369 1 28 . 1 1 12 12 TRP N N 12 118.764 118.764 119.616 -0.852 19450
4370 1 28 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.664 0.581 19450
4371 1 28 . 1 1 12 12 TRP CA C 12 58.110 58.110 57.104 1.006 19450
4372 1 28 . 1 1 12 12 TRP CB C 12 28.680 28.680 27.391 1.289 19450
4373 1 28 . 1 1 12 12 TRP H H 12 8.383 8.383 8.393 -0.010 19450
4374 1 28 . 1 1 13 13 GLN N N 13 123.583 123.583 119.485 4.098 19450
4375 1 28 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.140 0.095 19450
4376 1 28 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.637 0.574 19450
4377 1 28 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.834 -0.945 19450
4378 1 28 . 1 1 13 13 GLN H H 13 9.051 9.051 8.478 0.573 19450
4379 1 28 . 1 1 14 14 GLN N N 14 114.111 114.111 120.494 -6.383 19450
4380 1 28 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.170 -0.195 19450
4381 1 28 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.335 0.600 19450
4382 1 28 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.473 -0.474 19450
4383 1 28 . 1 1 14 14 GLN H H 14 8.359 8.359 8.304 0.055 19450
4384 1 28 . 1 1 15 15 LEU N N 15 117.658 117.658 118.795 -1.137 19450
4385 1 28 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.548 -0.077 19450
4386 1 28 . 1 1 15 15 LEU CA C 15 54.794 54.794 55.059 -0.265 19450
4387 1 28 . 1 1 15 15 LEU CB C 15 43.107 43.107 42.466 0.641 19450
4388 1 28 . 1 1 15 15 LEU H H 15 7.553 7.553 7.712 -0.159 19450
4389 1 28 . 1 1 16 16 GLY N N 16 106.380 106.380 106.236 0.144 19450
4390 1 28 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.501 0.759 19450
4391 1 28 . 1 1 16 16 GLY H H 16 7.859 7.859 7.965 -0.106 19450
4392 1 28 . 1 1 17 17 HIS N N 17 116.016 116.016 119.792 -3.776 19450
4393 1 28 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.325 -0.092 19450
4394 1 28 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.150 -1.238 19450
4395 1 28 . 1 1 17 17 HIS CB C 17 29.782 29.782 30.041 -0.259 19450
4396 1 28 . 1 1 17 17 HIS H H 17 8.606 8.606 9.285 -0.679 19450
4397 1 28 . 1 1 18 18 CYS N N 18 119.185 119.185 115.715 3.470 19450
4398 1 28 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.445 -0.425 19450
4399 1 28 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.606 -2.201 19450
4400 1 28 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.598 11.339 19450
4401 1 28 . 1 1 18 18 CYS H H 18 9.681 9.681 8.566 1.115 19450
4402 1 28 . 1 1 19 19 GLN N N 19 114.091 114.091 118.579 -4.488 19450
4403 1 28 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.027 0.257 19450
4404 1 28 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.434 -0.886 19450
4405 1 28 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.660 0.082 19450
4406 1 28 . 1 1 19 19 GLN H H 19 7.173 7.173 7.764 -0.591 19450
4407 1 28 . 1 1 20 20 TYR N N 20 116.340 116.340 115.421 0.919 19450
4408 1 28 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.613 0.020 19450
4409 1 28 . 1 1 20 20 TYR CA C 20 58.801 58.801 59.470 -0.669 19450
4410 1 28 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.870 -0.896 19450
4411 1 28 . 1 1 20 20 TYR H H 20 7.442 7.442 8.313 -0.871 19450
4412 1 28 . 1 1 21 21 SER N N 21 123.873 123.873 113.631 10.242 19450
4413 1 28 . 1 1 21 21 SER HA H 21 4.933 4.933 5.124 -0.191 19450
4414 1 28 . 1 1 21 21 SER CA C 21 54.779 54.779 54.552 0.227 19450
4415 1 28 . 1 1 21 21 SER CB C 21 63.040 63.040 63.459 -0.419 19450
4416 1 28 . 1 1 21 21 SER H H 21 8.372 8.372 8.401 -0.029 19450
4417 1 28 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.553 -0.310 19450
4418 1 28 . 1 1 22 22 PRO CA C 22 65.637 65.637 64.305 1.332 19450
4419 1 28 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.319 -0.479 19450
4420 1 28 . 1 1 23 23 LYS N N 23 121.196 121.196 118.564 2.632 19450
4421 1 28 . 1 1 23 23 LYS HA H 23 4.126 4.126 4.008 0.118 19450
4422 1 28 . 1 1 23 23 LYS CA C 23 59.531 59.531 59.107 0.424 19450
4423 1 28 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.666 0.001 19450
4424 1 28 . 1 1 23 23 LYS H H 23 8.225 8.225 8.672 -0.447 19450
4425 1 28 . 1 1 24 24 TYR N N 24 120.716 120.716 114.247 6.469 19450
4426 1 28 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.829 -0.505 19450
4427 1 28 . 1 1 24 24 TYR CA C 24 55.347 55.347 59.196 -3.849 19450
4428 1 28 . 1 1 24 24 TYR CB C 24 39.369 39.369 38.996 0.373 19450
4429 1 28 . 1 1 24 24 TYR H H 24 8.318 8.318 7.566 0.752 19450
4430 1 28 . 1 1 25 25 MET N N 25 117.494 117.494 120.006 -2.512 19450
4431 1 28 . 1 1 25 25 MET HA H 25 4.344 4.344 4.609 -0.265 19450
4432 1 28 . 1 1 25 25 MET CA C 25 56.843 56.843 56.315 0.528 19450
4433 1 28 . 1 1 25 25 MET CB C 25 31.620 31.620 32.069 -0.449 19450
4434 1 28 . 1 1 25 25 MET H H 25 8.636 8.636 7.963 0.673 19450
4435 1 28 . 1 1 26 26 GLY N N 26 104.942 104.942 105.833 -0.891 19450
4436 1 28 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.550 -1.635 19450
4437 1 28 . 1 1 26 26 GLY H H 26 8.290 8.290 8.146 0.144 19450
4438 1 28 . 1 1 27 27 HIS N N 27 115.046 115.046 117.625 -2.579 19450
4439 1 28 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.552 0.014 19450
4440 1 28 . 1 1 27 27 HIS CA C 27 56.626 56.626 57.058 -0.432 19450
4441 1 28 . 1 1 27 27 HIS CB C 27 29.875 29.875 30.192 -0.317 19450
4442 1 28 . 1 1 27 27 HIS H H 27 7.206 7.206 8.332 -1.126 19450
4443 1 28 . 1 1 28 28 TYR N N 28 114.431 114.431 116.063 -1.632 19450
4444 1 28 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.635 -0.324 19450
4445 1 28 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.197 1.252 19450
4446 1 28 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.196 -1.534 19450
4447 1 28 . 1 1 28 28 TYR H H 28 8.199 8.199 7.715 0.484 19450
4448 1 28 . 1 1 29 29 CYS N N 29 119.776 119.776 119.520 0.256 19450
4449 1 28 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.876 1.130 19450
4450 1 28 . 1 1 29 29 CYS CA C 29 51.384 51.384 58.169 -6.785 19450
4451 1 28 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.694 9.361 19450
4452 1 28 . 1 1 29 29 CYS H H 29 8.466 8.466 9.069 -0.603 19450
4453 1 28 . 1 1 30 30 LYS N N 30 119.011 119.011 125.378 -6.367 19450
4454 1 28 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.257 -0.663 19450
4455 1 28 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.437 2.807 19450
4456 1 28 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.649 1.591 19450
4457 1 28 . 1 1 30 30 LYS H H 30 8.872 8.872 8.692 0.180 19450
4458 1 28 . 1 1 31 31 LYS N N 31 117.963 117.963 120.371 -2.408 19450
4459 1 28 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.868 0.160 19450
4460 1 28 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.296 -0.327 19450
4461 1 28 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.685 0.640 19450
4462 1 28 . 1 1 31 31 LYS H H 31 7.183 7.183 8.436 -1.253 19450
4463 1 28 . 1 1 32 32 ALA N N 32 129.495 129.495 120.093 9.402 19450
4464 1 28 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.268 -0.154 19450
4465 1 28 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.600 1.545 19450
4466 1 28 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.612 -0.520 19450
4467 1 28 . 1 1 32 32 ALA H H 32 11.370 11.370 8.315 3.055 19450
4468 1 28 . 1 1 33 33 CYS N N 33 109.017 109.017 115.427 -6.410 19450
4469 1 28 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.663 0.232 19450
4470 1 28 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.019 -3.745 19450
4471 1 28 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.012 7.781 19450
4472 1 28 . 1 1 33 33 CYS H H 33 7.904 7.904 7.185 0.719 19450
4473 1 28 . 1 1 34 34 GLY N N 34 110.854 110.854 110.417 0.437 19450
4474 1 28 . 1 1 34 34 GLY CA C 34 47.128 47.128 46.174 0.954 19450
4475 1 28 . 1 1 34 34 GLY H H 34 8.130 8.130 8.797 -0.667 19450
4476 1 28 . 1 1 35 35 LEU N N 35 118.448 118.448 118.941 -0.493 19450
4477 1 28 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.550 -0.052 19450
4478 1 28 . 1 1 35 35 LEU CA C 35 54.259 54.259 55.589 -1.330 19450
4479 1 28 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.969 -1.101 19450
4480 1 28 . 1 1 35 35 LEU H H 35 8.601 8.601 7.808 0.793 19450
4481 1 29 . 1 1 2 2 CYS N N 2 126.377 126.377 122.763 3.614 19450
4482 1 29 . 1 1 2 2 CYS CB C 2 38.890 38.890 27.922 10.968 19450
4483 1 29 . 1 1 2 2 CYS H H 2 9.029 9.029 8.517 0.512 19450
4484 1 29 . 1 1 3 3 GLU N N 3 124.885 124.885 123.221 1.664 19450
4485 1 29 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.324 0.382 19450
4486 1 29 . 1 1 3 3 GLU CA C 3 55.882 55.882 55.118 0.764 19450
4487 1 29 . 1 1 3 3 GLU CB C 3 32.564 32.564 32.461 0.103 19450
4488 1 29 . 1 1 3 3 GLU H H 3 8.376 8.376 8.264 0.112 19450
4489 1 29 . 1 1 4 4 ASP N N 4 121.930 121.930 119.335 2.595 19450
4490 1 29 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.611 0.537 19450
4491 1 29 . 1 1 4 4 ASP CA C 4 55.056 55.056 54.717 0.339 19450
4492 1 29 . 1 1 4 4 ASP CB C 4 43.228 43.228 41.009 2.219 19450
4493 1 29 . 1 1 4 4 ASP H H 4 8.876 8.876 8.583 0.293 19450
4494 1 29 . 1 1 5 5 LEU N N 5 119.092 119.092 121.040 -1.948 19450
4495 1 29 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.415 0.285 19450
4496 1 29 . 1 1 5 5 LEU CA C 5 54.430 54.430 54.827 -0.397 19450
4497 1 29 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.688 0.673 19450
4498 1 29 . 1 1 5 5 LEU H H 5 9.373 9.373 8.169 1.204 19450
4499 1 29 . 1 1 6 6 ASN N N 6 117.782 117.782 117.541 0.241 19450
4500 1 29 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.806 0.112 19450
4501 1 29 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.182 0.835 19450
4502 1 29 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.644 2.271 19450
4503 1 29 . 1 1 6 6 ASN H H 6 7.398 7.398 7.614 -0.216 19450
4504 1 29 . 1 1 7 7 ALA N N 7 130.815 130.815 127.699 3.116 19450
4505 1 29 . 1 1 7 7 ALA HA H 7 4.152 4.152 3.983 0.169 19450
4506 1 29 . 1 1 7 7 ALA CA C 7 54.108 54.108 54.301 -0.193 19450
4507 1 29 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.441 -0.071 19450
4508 1 29 . 1 1 7 7 ALA H H 7 9.016 9.016 8.587 0.429 19450
4509 1 29 . 1 1 8 8 HIS N N 8 114.507 114.507 114.452 0.055 19450
4510 1 29 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.233 0.102 19450
4511 1 29 . 1 1 8 8 HIS CA C 8 62.017 62.017 54.994 7.023 19450
4512 1 29 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.228 -2.632 19450
4513 1 29 . 1 1 8 8 HIS H H 8 9.346 9.346 7.797 1.549 19450
4514 1 29 . 1 1 9 9 CYS N N 9 116.419 116.419 119.249 -2.830 19450
4515 1 29 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.888 0.546 19450
4516 1 29 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.192 -3.403 19450
4517 1 29 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.545 10.387 19450
4518 1 29 . 1 1 9 9 CYS H H 9 7.505 7.505 7.838 -0.333 19450
4519 1 29 . 1 1 10 10 GLU N N 10 119.951 119.951 118.193 1.758 19450
4520 1 29 . 1 1 10 10 GLU HA H 10 4.082 4.082 4.022 0.060 19450
4521 1 29 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.384 0.793 19450
4522 1 29 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.013 -0.866 19450
4523 1 29 . 1 1 10 10 GLU H H 10 8.848 8.848 8.466 0.382 19450
4524 1 29 . 1 1 11 11 MET N N 11 121.293 121.293 117.932 3.361 19450
4525 1 29 . 1 1 11 11 MET HA H 11 4.107 4.107 4.091 0.016 19450
4526 1 29 . 1 1 11 11 MET CA C 11 58.574 58.574 58.883 -0.308 19450
4527 1 29 . 1 1 11 11 MET CB C 11 31.841 31.841 32.089 -0.248 19450
4528 1 29 . 1 1 11 11 MET H H 11 7.920 7.920 7.851 0.069 19450
4529 1 29 . 1 1 12 12 TRP N N 12 118.764 118.764 118.700 0.064 19450
4530 1 29 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.884 0.361 19450
4531 1 29 . 1 1 12 12 TRP CA C 12 58.110 58.110 56.576 1.534 19450
4532 1 29 . 1 1 12 12 TRP CB C 12 28.680 28.680 28.092 0.588 19450
4533 1 29 . 1 1 12 12 TRP H H 12 8.383 8.383 7.961 0.422 19450
4534 1 29 . 1 1 13 13 GLN N N 13 123.583 123.583 119.894 3.689 19450
4535 1 29 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.147 0.088 19450
4536 1 29 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.631 0.580 19450
4537 1 29 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.746 -0.857 19450
4538 1 29 . 1 1 13 13 GLN H H 13 9.051 9.051 8.681 0.370 19450
4539 1 29 . 1 1 14 14 GLN N N 14 114.111 114.111 120.441 -6.330 19450
4540 1 29 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.147 -0.172 19450
4541 1 29 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.364 0.571 19450
4542 1 29 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.236 -0.237 19450
4543 1 29 . 1 1 14 14 GLN H H 14 8.359 8.359 8.361 -0.002 19450
4544 1 29 . 1 1 15 15 LEU N N 15 117.658 117.658 118.624 -0.966 19450
4545 1 29 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.591 -0.120 19450
4546 1 29 . 1 1 15 15 LEU CA C 15 54.794 54.794 54.807 -0.013 19450
4547 1 29 . 1 1 15 15 LEU CB C 15 43.107 43.107 42.170 0.937 19450
4548 1 29 . 1 1 15 15 LEU H H 15 7.553 7.553 7.482 0.071 19450
4549 1 29 . 1 1 16 16 GLY N N 16 106.380 106.380 106.262 0.118 19450
4550 1 29 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.452 0.808 19450
4551 1 29 . 1 1 16 16 GLY H H 16 7.859 7.859 8.048 -0.189 19450
4552 1 29 . 1 1 17 17 HIS N N 17 116.016 116.016 119.815 -3.799 19450
4553 1 29 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.294 -0.061 19450
4554 1 29 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.265 -1.353 19450
4555 1 29 . 1 1 17 17 HIS CB C 17 29.782 29.782 30.047 -0.265 19450
4556 1 29 . 1 1 17 17 HIS H H 17 8.606 8.606 9.071 -0.465 19450
4557 1 29 . 1 1 18 18 CYS N N 18 119.185 119.185 115.322 3.863 19450
4558 1 29 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.435 -0.415 19450
4559 1 29 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.546 -2.141 19450
4560 1 29 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.634 11.303 19450
4561 1 29 . 1 1 18 18 CYS H H 18 9.681 9.681 8.586 1.095 19450
4562 1 29 . 1 1 19 19 GLN N N 19 114.091 114.091 118.587 -4.496 19450
4563 1 29 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.030 0.254 19450
4564 1 29 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.429 -0.881 19450
4565 1 29 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.675 0.067 19450
4566 1 29 . 1 1 19 19 GLN H H 19 7.173 7.173 7.782 -0.609 19450
4567 1 29 . 1 1 20 20 TYR N N 20 116.340 116.340 115.867 0.473 19450
4568 1 29 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.633 -0.000 19450
4569 1 29 . 1 1 20 20 TYR CA C 20 58.801 58.801 59.408 -0.607 19450
4570 1 29 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.872 -0.898 19450
4571 1 29 . 1 1 20 20 TYR H H 20 7.442 7.442 8.423 -0.981 19450
4572 1 29 . 1 1 21 21 SER N N 21 123.873 123.873 114.446 9.427 19450
4573 1 29 . 1 1 21 21 SER HA H 21 4.933 4.933 5.058 -0.125 19450
4574 1 29 . 1 1 21 21 SER CA C 21 54.779 54.779 54.933 -0.154 19450
4575 1 29 . 1 1 21 21 SER CB C 21 63.040 63.040 63.823 -0.783 19450
4576 1 29 . 1 1 21 21 SER H H 21 8.372 8.372 8.539 -0.167 19450
4577 1 29 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.574 -0.332 19450
4578 1 29 . 1 1 22 22 PRO CA C 22 65.637 65.637 64.014 1.623 19450
4579 1 29 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.157 -0.317 19450
4580 1 29 . 1 1 23 23 LYS N N 23 121.196 121.196 119.419 1.777 19450
4581 1 29 . 1 1 23 23 LYS HA H 23 4.126 4.126 3.955 0.171 19450
4582 1 29 . 1 1 23 23 LYS CA C 23 59.531 59.531 58.803 0.728 19450
4583 1 29 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.719 -0.051 19450
4584 1 29 . 1 1 23 23 LYS H H 23 8.225 8.225 8.480 -0.255 19450
4585 1 29 . 1 1 24 24 TYR N N 24 120.716 120.716 113.631 7.085 19450
4586 1 29 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.802 -0.478 19450
4587 1 29 . 1 1 24 24 TYR CA C 24 55.347 55.347 58.869 -3.522 19450
4588 1 29 . 1 1 24 24 TYR CB C 24 39.369 39.369 39.264 0.104 19450
4589 1 29 . 1 1 24 24 TYR H H 24 8.318 8.318 7.431 0.887 19450
4590 1 29 . 1 1 25 25 MET N N 25 117.494 117.494 118.949 -1.455 19450
4591 1 29 . 1 1 25 25 MET HA H 25 4.344 4.344 4.655 -0.311 19450
4592 1 29 . 1 1 25 25 MET CA C 25 56.843 56.843 56.150 0.693 19450
4593 1 29 . 1 1 25 25 MET CB C 25 31.620 31.620 32.446 -0.825 19450
4594 1 29 . 1 1 25 25 MET H H 25 8.636 8.636 7.690 0.946 19450
4595 1 29 . 1 1 26 26 GLY N N 26 104.942 104.942 106.035 -1.093 19450
4596 1 29 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.361 -1.446 19450
4597 1 29 . 1 1 26 26 GLY H H 26 8.290 8.290 8.156 0.134 19450
4598 1 29 . 1 1 27 27 HIS N N 27 115.046 115.046 116.800 -1.754 19450
4599 1 29 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.512 0.054 19450
4600 1 29 . 1 1 27 27 HIS CA C 27 56.626 56.626 56.631 -0.005 19450
4601 1 29 . 1 1 27 27 HIS CB C 27 29.875 29.875 30.079 -0.204 19450
4602 1 29 . 1 1 27 27 HIS H H 27 7.206 7.206 8.194 -0.988 19450
4603 1 29 . 1 1 28 28 TYR N N 28 114.431 114.431 116.260 -1.829 19450
4604 1 29 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.687 -0.376 19450
4605 1 29 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.060 1.389 19450
4606 1 29 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.503 -1.841 19450
4607 1 29 . 1 1 28 28 TYR H H 28 8.199 8.199 7.756 0.443 19450
4608 1 29 . 1 1 29 29 CYS N N 29 119.776 119.776 119.918 -0.142 19450
4609 1 29 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.907 1.099 19450
4610 1 29 . 1 1 29 29 CYS CA C 29 51.384 51.384 58.267 -6.883 19450
4611 1 29 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.604 9.451 19450
4612 1 29 . 1 1 29 29 CYS H H 29 8.466 8.466 9.024 -0.558 19450
4613 1 29 . 1 1 30 30 LYS N N 30 119.011 119.011 125.504 -6.493 19450
4614 1 29 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.253 -0.659 19450
4615 1 29 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.434 2.811 19450
4616 1 29 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.638 1.602 19450
4617 1 29 . 1 1 30 30 LYS H H 30 8.872 8.872 8.709 0.163 19450
4618 1 29 . 1 1 31 31 LYS N N 31 117.963 117.963 120.335 -2.372 19450
4619 1 29 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.871 0.157 19450
4620 1 29 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.319 -0.350 19450
4621 1 29 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.670 0.655 19450
4622 1 29 . 1 1 31 31 LYS H H 31 7.183 7.183 8.446 -1.263 19450
4623 1 29 . 1 1 32 32 ALA N N 32 129.495 129.495 119.536 9.959 19450
4624 1 29 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.228 -0.114 19450
4625 1 29 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.634 1.511 19450
4626 1 29 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.612 -0.520 19450
4627 1 29 . 1 1 32 32 ALA H H 32 11.370 11.370 8.285 3.085 19450
4628 1 29 . 1 1 33 33 CYS N N 33 109.017 109.017 115.376 -6.359 19450
4629 1 29 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.639 0.256 19450
4630 1 29 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.092 -3.818 19450
4631 1 29 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.321 7.472 19450
4632 1 29 . 1 1 33 33 CYS H H 33 7.904 7.904 7.215 0.689 19450
4633 1 29 . 1 1 34 34 GLY N N 34 110.854 110.854 109.780 1.074 19450
4634 1 29 . 1 1 34 34 GLY CA C 34 47.128 47.128 46.090 1.038 19450
4635 1 29 . 1 1 34 34 GLY H H 34 8.130 8.130 8.777 -0.647 19450
4636 1 29 . 1 1 35 35 LEU N N 35 118.448 118.448 118.409 0.039 19450
4637 1 29 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.573 -0.075 19450
4638 1 29 . 1 1 35 35 LEU CA C 35 54.259 54.259 55.421 -1.162 19450
4639 1 29 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.689 -0.821 19450
4640 1 29 . 1 1 35 35 LEU H H 35 8.601 8.601 7.256 1.345 19450
4641 1 30 . 1 1 2 2 CYS N N 2 126.377 126.377 122.080 4.297 19450
4642 1 30 . 1 1 2 2 CYS CB C 2 38.890 38.890 26.659 12.231 19450
4643 1 30 . 1 1 2 2 CYS H H 2 9.029 9.029 8.398 0.631 19450
4644 1 30 . 1 1 3 3 GLU N N 3 124.885 124.885 122.749 2.136 19450
4645 1 30 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.351 0.355 19450
4646 1 30 . 1 1 3 3 GLU CA C 3 55.882 55.882 55.025 0.857 19450
4647 1 30 . 1 1 3 3 GLU CB C 3 32.564 32.564 32.642 -0.078 19450
4648 1 30 . 1 1 3 3 GLU H H 3 8.376 8.376 8.441 -0.065 19450
4649 1 30 . 1 1 4 4 ASP N N 4 121.930 121.930 120.482 1.448 19450
4650 1 30 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.649 0.499 19450
4651 1 30 . 1 1 4 4 ASP CA C 4 55.056 55.056 54.629 0.427 19450
4652 1 30 . 1 1 4 4 ASP CB C 4 43.228 43.228 41.022 2.207 19450
4653 1 30 . 1 1 4 4 ASP H H 4 8.876 8.876 8.714 0.162 19450
4654 1 30 . 1 1 5 5 LEU N N 5 119.092 119.092 120.980 -1.888 19450
4655 1 30 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.419 0.281 19450
4656 1 30 . 1 1 5 5 LEU CA C 5 54.430 54.430 55.131 -0.701 19450
4657 1 30 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.743 0.618 19450
4658 1 30 . 1 1 5 5 LEU H H 5 9.373 9.373 8.201 1.172 19450
4659 1 30 . 1 1 6 6 ASN N N 6 117.782 117.782 117.254 0.528 19450
4660 1 30 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.850 0.068 19450
4661 1 30 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.472 0.545 19450
4662 1 30 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.551 2.364 19450
4663 1 30 . 1 1 6 6 ASN H H 6 7.398 7.398 7.557 -0.159 19450
4664 1 30 . 1 1 7 7 ALA N N 7 130.815 130.815 126.498 4.317 19450
4665 1 30 . 1 1 7 7 ALA HA H 7 4.152 4.152 4.012 0.140 19450
4666 1 30 . 1 1 7 7 ALA CA C 7 54.108 54.108 54.275 -0.167 19450
4667 1 30 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.467 -0.097 19450
4668 1 30 . 1 1 7 7 ALA H H 7 9.016 9.016 8.636 0.380 19450
4669 1 30 . 1 1 8 8 HIS N N 8 114.507 114.507 114.612 -0.105 19450
4670 1 30 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.277 0.058 19450
4671 1 30 . 1 1 8 8 HIS CA C 8 62.017 62.017 54.917 7.100 19450
4672 1 30 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.590 -2.994 19450
4673 1 30 . 1 1 8 8 HIS H H 8 9.346 9.346 7.806 1.540 19450
4674 1 30 . 1 1 9 9 CYS N N 9 116.419 116.419 119.415 -2.996 19450
4675 1 30 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.835 0.599 19450
4676 1 30 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.287 -3.498 19450
4677 1 30 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.709 10.223 19450
4678 1 30 . 1 1 9 9 CYS H H 9 7.505 7.505 7.888 -0.383 19450
4679 1 30 . 1 1 10 10 GLU N N 10 119.951 119.951 118.318 1.633 19450
4680 1 30 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.891 0.191 19450
4681 1 30 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.523 0.653 19450
4682 1 30 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.330 -1.183 19450
4683 1 30 . 1 1 10 10 GLU H H 10 8.848 8.848 8.403 0.445 19450
4684 1 30 . 1 1 11 11 MET N N 11 121.293 121.293 118.424 2.869 19450
4685 1 30 . 1 1 11 11 MET HA H 11 4.107 4.107 4.170 -0.063 19450
4686 1 30 . 1 1 11 11 MET CA C 11 58.574 58.574 59.001 -0.427 19450
4687 1 30 . 1 1 11 11 MET CB C 11 31.841 31.841 32.175 -0.334 19450
4688 1 30 . 1 1 11 11 MET H H 11 7.920 7.920 7.744 0.176 19450
4689 1 30 . 1 1 12 12 TRP N N 12 118.764 118.764 119.067 -0.303 19450
4690 1 30 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.690 0.555 19450
4691 1 30 . 1 1 12 12 TRP CA C 12 58.110 58.110 56.866 1.244 19450
4692 1 30 . 1 1 12 12 TRP CB C 12 28.680 28.680 27.673 1.007 19450
4693 1 30 . 1 1 12 12 TRP H H 12 8.383 8.383 8.341 0.042 19450
4694 1 30 . 1 1 13 13 GLN N N 13 123.583 123.583 119.454 4.129 19450
4695 1 30 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.130 0.105 19450
4696 1 30 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.623 0.588 19450
4697 1 30 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.857 -0.968 19450
4698 1 30 . 1 1 13 13 GLN H H 13 9.051 9.051 8.569 0.482 19450
4699 1 30 . 1 1 14 14 GLN N N 14 114.111 114.111 119.880 -5.769 19450
4700 1 30 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.135 -0.160 19450
4701 1 30 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.302 0.633 19450
4702 1 30 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.325 -0.326 19450
4703 1 30 . 1 1 14 14 GLN H H 14 8.359 8.359 8.214 0.145 19450
4704 1 30 . 1 1 15 15 LEU N N 15 117.658 117.658 118.401 -0.743 19450
4705 1 30 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.424 0.047 19450
4706 1 30 . 1 1 15 15 LEU CA C 15 54.794 54.794 55.143 -0.349 19450
4707 1 30 . 1 1 15 15 LEU CB C 15 43.107 43.107 42.460 0.647 19450
4708 1 30 . 1 1 15 15 LEU H H 15 7.553 7.553 7.548 0.005 19450
4709 1 30 . 1 1 16 16 GLY N N 16 106.380 106.380 104.775 1.605 19450
4710 1 30 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.349 0.910 19450
4711 1 30 . 1 1 16 16 GLY H H 16 7.859 7.859 7.810 0.049 19450
4712 1 30 . 1 1 17 17 HIS N N 17 116.016 116.016 119.648 -3.632 19450
4713 1 30 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.349 -0.116 19450
4714 1 30 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.172 -1.260 19450
4715 1 30 . 1 1 17 17 HIS CB C 17 29.782 29.782 30.102 -0.320 19450
4716 1 30 . 1 1 17 17 HIS H H 17 8.606 8.606 9.258 -0.652 19450
4717 1 30 . 1 1 18 18 CYS N N 18 119.185 119.185 115.639 3.546 19450
4718 1 30 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.429 -0.409 19450
4719 1 30 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.584 -2.179 19450
4720 1 30 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.562 11.375 19450
4721 1 30 . 1 1 18 18 CYS H H 18 9.681 9.681 8.553 1.128 19450
4722 1 30 . 1 1 19 19 GLN N N 19 114.091 114.091 118.640 -4.549 19450
4723 1 30 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.004 0.280 19450
4724 1 30 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.463 -0.915 19450
4725 1 30 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.573 0.169 19450
4726 1 30 . 1 1 19 19 GLN H H 19 7.173 7.173 7.741 -0.568 19450
4727 1 30 . 1 1 20 20 TYR N N 20 116.340 116.340 115.447 0.893 19450
4728 1 30 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.640 -0.007 19450
4729 1 30 . 1 1 20 20 TYR CA C 20 58.801 58.801 59.059 -0.258 19450
4730 1 30 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.692 -0.718 19450
4731 1 30 . 1 1 20 20 TYR H H 20 7.442 7.442 8.284 -0.842 19450
4732 1 30 . 1 1 21 21 SER N N 21 123.873 123.873 114.344 9.529 19450
4733 1 30 . 1 1 21 21 SER HA H 21 4.933 4.933 5.111 -0.178 19450
4734 1 30 . 1 1 21 21 SER CA C 21 54.779 54.779 54.686 0.093 19450
4735 1 30 . 1 1 21 21 SER CB C 21 63.040 63.040 63.385 -0.345 19450
4736 1 30 . 1 1 21 21 SER H H 21 8.372 8.372 8.484 -0.112 19450
4737 1 30 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.560 -0.317 19450
4738 1 30 . 1 1 22 22 PRO CA C 22 65.637 65.637 64.157 1.480 19450
4739 1 30 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.215 -0.375 19450
4740 1 30 . 1 1 23 23 LYS N N 23 121.196 121.196 119.120 2.076 19450
4741 1 30 . 1 1 23 23 LYS HA H 23 4.126 4.126 3.979 0.147 19450
4742 1 30 . 1 1 23 23 LYS CA C 23 59.531 59.531 58.888 0.643 19450
4743 1 30 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.843 -0.175 19450
4744 1 30 . 1 1 23 23 LYS H H 23 8.225 8.225 8.583 -0.358 19450
4745 1 30 . 1 1 24 24 TYR N N 24 120.716 120.716 114.134 6.582 19450
4746 1 30 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.820 -0.496 19450
4747 1 30 . 1 1 24 24 TYR CA C 24 55.347 55.347 59.101 -3.754 19450
4748 1 30 . 1 1 24 24 TYR CB C 24 39.369 39.369 39.203 0.166 19450
4749 1 30 . 1 1 24 24 TYR H H 24 8.318 8.318 7.573 0.745 19450
4750 1 30 . 1 1 25 25 MET N N 25 117.494 117.494 119.958 -2.464 19450
4751 1 30 . 1 1 25 25 MET HA H 25 4.344 4.344 4.611 -0.267 19450
4752 1 30 . 1 1 25 25 MET CA C 25 56.843 56.843 56.355 0.488 19450
4753 1 30 . 1 1 25 25 MET CB C 25 31.620 31.620 32.143 -0.523 19450
4754 1 30 . 1 1 25 25 MET H H 25 8.636 8.636 7.999 0.637 19450
4755 1 30 . 1 1 26 26 GLY N N 26 104.942 104.942 105.840 -0.898 19450
4756 1 30 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.546 -1.631 19450
4757 1 30 . 1 1 26 26 GLY H H 26 8.290 8.290 8.124 0.166 19450
4758 1 30 . 1 1 27 27 HIS N N 27 115.046 115.046 117.535 -2.489 19450
4759 1 30 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.564 0.002 19450
4760 1 30 . 1 1 27 27 HIS CA C 27 56.626 56.626 56.944 -0.318 19450
4761 1 30 . 1 1 27 27 HIS CB C 27 29.875 29.875 30.209 -0.334 19450
4762 1 30 . 1 1 27 27 HIS H H 27 7.206 7.206 8.314 -1.108 19450
4763 1 30 . 1 1 28 28 TYR N N 28 114.431 114.431 116.279 -1.848 19450
4764 1 30 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.639 -0.328 19450
4765 1 30 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.266 1.183 19450
4766 1 30 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.204 -1.542 19450
4767 1 30 . 1 1 28 28 TYR H H 28 8.199 8.199 7.704 0.495 19450
4768 1 30 . 1 1 29 29 CYS N N 29 119.776 119.776 119.391 0.385 19450
4769 1 30 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.887 1.119 19450
4770 1 30 . 1 1 29 29 CYS CA C 29 51.384 51.384 58.105 -6.721 19450
4771 1 30 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.674 9.381 19450
4772 1 30 . 1 1 29 29 CYS H H 29 8.466 8.466 9.015 -0.549 19450
4773 1 30 . 1 1 30 30 LYS N N 30 119.011 119.011 125.322 -6.311 19450
4774 1 30 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.255 -0.661 19450
4775 1 30 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.577 2.667 19450
4776 1 30 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.654 1.585 19450
4777 1 30 . 1 1 30 30 LYS H H 30 8.872 8.872 8.702 0.170 19450
4778 1 30 . 1 1 31 31 LYS N N 31 117.963 117.963 120.048 -2.085 19450
4779 1 30 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.898 0.130 19450
4780 1 30 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.234 -0.265 19450
4781 1 30 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.791 0.534 19450
4782 1 30 . 1 1 31 31 LYS H H 31 7.183 7.183 8.443 -1.260 19450
4783 1 30 . 1 1 32 32 ALA N N 32 129.495 129.495 118.647 10.848 19450
4784 1 30 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.281 -0.167 19450
4785 1 30 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.191 1.954 19450
4786 1 30 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.455 -0.363 19450
4787 1 30 . 1 1 32 32 ALA H H 32 11.370 11.370 8.207 3.163 19450
4788 1 30 . 1 1 33 33 CYS N N 33 109.017 109.017 115.797 -6.780 19450
4789 1 30 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.673 0.222 19450
4790 1 30 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.022 -3.748 19450
4791 1 30 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.063 7.730 19450
4792 1 30 . 1 1 33 33 CYS H H 33 7.904 7.904 7.344 0.560 19450
4793 1 30 . 1 1 34 34 GLY N N 34 110.854 110.854 109.284 1.570 19450
4794 1 30 . 1 1 34 34 GLY CA C 34 47.128 47.128 45.959 1.169 19450
4795 1 30 . 1 1 34 34 GLY H H 34 8.130 8.130 8.640 -0.510 19450
4796 1 30 . 1 1 35 35 LEU N N 35 118.448 118.448 120.109 -1.661 19450
4797 1 30 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.255 0.243 19450
4798 1 30 . 1 1 35 35 LEU CA C 35 54.259 54.259 56.238 -1.979 19450
4799 1 30 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.182 -0.314 19450
4800 1 30 . 1 1 35 35 LEU H H 35 8.601 8.601 7.577 1.024 19450
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 33 3.838 -0.461 3.870 19450
2 1 1 "Average Difference" HA 34 0.388 -0.084 0.384 19450
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19450
4 1 1 "Average Difference" CA 33 2.309 0.056 2.344 19450
5 1 1 "Average Difference" CB 31 4.216 -1.586 3.971 19450
6 1 1 "Average Difference" HN 33 0.871 -0.230 0.853 19450
7 1 2 "Average Difference" N 33 3.904 -0.342 3.950 19450
8 1 2 "Average Difference" HA 34 0.365 -0.069 0.363 19450
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19450
10 1 2 "Average Difference" CA 33 2.317 0.141 2.348 19450
11 1 2 "Average Difference" CB 31 4.122 -1.492 3.907 19450
12 1 2 "Average Difference" HN 33 0.853 -0.222 0.837 19450
13 1 3 "Average Difference" N 33 3.828 -0.261 3.878 19450
14 1 3 "Average Difference" HA 34 0.361 -0.072 0.359 19450
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19450
16 1 3 "Average Difference" CA 33 2.327 0.094 2.361 19450
17 1 3 "Average Difference" CB 31 4.164 -1.536 3.934 19450
18 1 3 "Average Difference" HN 33 0.860 -0.189 0.852 19450
19 1 4 "Average Difference" N 33 3.980 -0.354 4.025 19450
20 1 4 "Average Difference" HA 34 0.358 -0.080 0.354 19450
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19450
22 1 4 "Average Difference" CA 33 2.318 0.126 2.351 19450
23 1 4 "Average Difference" CB 31 4.063 -1.519 3.831 19450
24 1 4 "Average Difference" HN 33 0.857 -0.228 0.839 19450
25 1 5 "Average Difference" N 33 3.928 -0.273 3.979 19450
26 1 5 "Average Difference" HA 34 0.359 -0.045 0.362 19450
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19450
28 1 5 "Average Difference" CA 33 2.166 0.134 2.195 19450
29 1 5 "Average Difference" CB 31 4.224 -1.525 4.004 19450
30 1 5 "Average Difference" HN 33 0.825 -0.162 0.821 19450
31 1 6 "Average Difference" N 33 3.994 -0.432 4.032 19450
32 1 6 "Average Difference" HA 34 0.353 -0.063 0.352 19450
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19450
34 1 6 "Average Difference" CA 33 2.280 0.152 2.310 19450
35 1 6 "Average Difference" CB 31 4.236 -1.574 3.998 19450
36 1 6 "Average Difference" HN 33 0.849 -0.208 0.835 19450
37 1 7 "Average Difference" N 33 3.829 -0.401 3.867 19450
38 1 7 "Average Difference" HA 34 0.355 -0.060 0.356 19450
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19450
40 1 7 "Average Difference" CA 33 2.182 0.181 2.209 19450
41 1 7 "Average Difference" CB 31 4.123 -1.528 3.893 19450
42 1 7 "Average Difference" HN 33 0.837 -0.170 0.833 19450
43 1 8 "Average Difference" N 33 4.088 -0.429 4.129 19450
44 1 8 "Average Difference" HA 34 0.355 -0.068 0.353 19450
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19450
46 1 8 "Average Difference" CA 33 2.292 0.199 2.319 19450
47 1 8 "Average Difference" CB 31 4.193 -1.572 3.952 19450
48 1 8 "Average Difference" HN 33 0.838 -0.190 0.829 19450
49 1 9 "Average Difference" N 33 3.893 -0.252 3.945 19450
50 1 9 "Average Difference" HA 34 0.370 -0.059 0.370 19450
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19450
52 1 9 "Average Difference" CA 33 2.307 0.073 2.342 19450
53 1 9 "Average Difference" CB 31 4.262 -1.543 4.038 19450
54 1 9 "Average Difference" HN 33 0.878 -0.208 0.866 19450
55 1 10 "Average Difference" N 33 3.913 -0.242 3.966 19450
56 1 10 "Average Difference" HA 34 0.373 -0.078 0.370 19450
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19450
58 1 10 "Average Difference" CA 33 2.293 0.137 2.324 19450
59 1 10 "Average Difference" CB 31 4.244 -1.549 4.016 19450
60 1 10 "Average Difference" HN 33 0.828 -0.161 0.825 19450
61 1 11 "Average Difference" N 33 3.859 -0.290 3.908 19450
62 1 11 "Average Difference" HA 34 0.374 -0.073 0.372 19450
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19450
64 1 11 "Average Difference" CA 33 2.334 0.082 2.369 19450
65 1 11 "Average Difference" CB 31 4.109 -1.535 3.874 19450
66 1 11 "Average Difference" HN 33 0.840 -0.188 0.831 19450
67 1 12 "Average Difference" N 33 3.950 -0.368 3.994 19450
68 1 12 "Average Difference" HA 34 0.366 -0.076 0.363 19450
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19450
70 1 12 "Average Difference" CA 33 2.321 0.112 2.355 19450
71 1 12 "Average Difference" CB 31 4.133 -1.533 3.902 19450
72 1 12 "Average Difference" HN 33 0.866 -0.215 0.852 19450
73 1 13 "Average Difference" N 33 3.867 -0.371 3.909 19450
74 1 13 "Average Difference" HA 34 0.359 -0.068 0.358 19450
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19450
76 1 13 "Average Difference" CA 33 2.303 0.188 2.331 19450
77 1 13 "Average Difference" CB 31 4.212 -1.523 3.992 19450
78 1 13 "Average Difference" HN 33 0.861 -0.204 0.849 19450
79 1 14 "Average Difference" N 33 4.069 -0.337 4.118 19450
80 1 14 "Average Difference" HA 34 0.357 -0.070 0.355 19450
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19450
82 1 14 "Average Difference" CA 33 2.293 0.193 2.320 19450
83 1 14 "Average Difference" CB 31 4.148 -1.607 3.887 19450
84 1 14 "Average Difference" HN 33 0.859 -0.201 0.848 19450
85 1 15 "Average Difference" N 33 4.028 -0.201 4.086 19450
86 1 15 "Average Difference" HA 34 0.371 -0.090 0.365 19450
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19450
88 1 15 "Average Difference" CA 33 2.302 0.229 2.326 19450
89 1 15 "Average Difference" CB 31 4.297 -1.654 4.031 19450
90 1 15 "Average Difference" HN 33 0.820 -0.152 0.818 19450
91 1 16 "Average Difference" N 33 4.028 -0.272 4.081 19450
92 1 16 "Average Difference" HA 34 0.358 -0.084 0.353 19450
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19450
94 1 16 "Average Difference" CA 33 2.322 0.220 2.348 19450
95 1 16 "Average Difference" CB 31 4.260 -1.605 4.011 19450
96 1 16 "Average Difference" HN 33 0.852 -0.178 0.846 19450
97 1 17 "Average Difference" N 33 3.978 -0.354 4.023 19450
98 1 17 "Average Difference" HA 34 0.372 -0.073 0.370 19450
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19450
100 1 17 "Average Difference" CA 33 2.296 0.065 2.331 19450
101 1 17 "Average Difference" CB 31 4.233 -1.583 3.991 19450
102 1 17 "Average Difference" HN 33 0.851 -0.209 0.838 19450
103 1 18 "Average Difference" N 33 3.896 -0.225 3.950 19450
104 1 18 "Average Difference" HA 34 0.371 -0.078 0.368 19450
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19450
106 1 18 "Average Difference" CA 33 2.274 0.191 2.301 19450
107 1 18 "Average Difference" CB 31 4.157 -1.527 3.930 19450
108 1 18 "Average Difference" HN 33 0.840 -0.179 0.833 19450
109 1 19 "Average Difference" N 33 4.048 -0.302 4.100 19450
110 1 19 "Average Difference" HA 34 0.368 -0.077 0.366 19450
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19450
112 1 19 "Average Difference" CA 33 2.292 0.171 2.321 19450
113 1 19 "Average Difference" CB 31 4.130 -1.547 3.892 19450
114 1 19 "Average Difference" HN 33 0.874 -0.210 0.862 19450
115 1 20 "Average Difference" N 33 4.024 -0.344 4.072 19450
116 1 20 "Average Difference" HA 34 0.354 -0.093 0.347 19450
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19450
118 1 20 "Average Difference" CA 33 2.312 0.232 2.336 19450
119 1 20 "Average Difference" CB 31 4.305 -1.612 4.058 19450
120 1 20 "Average Difference" HN 33 0.846 -0.198 0.835 19450
121 1 21 "Average Difference" N 33 4.034 -0.285 4.086 19450
122 1 21 "Average Difference" HA 34 0.358 -0.083 0.353 19450
123 1 21 "Average Difference" C 0 0.000 0.000 0.000 19450
124 1 21 "Average Difference" CA 33 2.346 0.310 2.362 19450
125 1 21 "Average Difference" CB 31 4.187 -1.532 3.961 19450
126 1 21 "Average Difference" HN 33 0.847 -0.224 0.830 19450
127 1 22 "Average Difference" N 33 4.003 -0.364 4.048 19450
128 1 22 "Average Difference" HA 34 0.349 -0.065 0.349 19450
129 1 22 "Average Difference" C 0 0.000 0.000 0.000 19450
130 1 22 "Average Difference" CA 33 2.293 0.105 2.326 19450
131 1 22 "Average Difference" CB 31 4.200 -1.466 4.001 19450
132 1 22 "Average Difference" HN 33 0.828 -0.147 0.828 19450
133 1 23 "Average Difference" N 33 4.064 -0.536 4.091 19450
134 1 23 "Average Difference" HA 34 0.354 -0.063 0.354 19450
135 1 23 "Average Difference" C 0 0.000 0.000 0.000 19450
136 1 23 "Average Difference" CA 33 2.265 0.129 2.296 19450
137 1 23 "Average Difference" CB 31 4.200 -1.562 3.963 19450
138 1 23 "Average Difference" HN 33 0.839 -0.200 0.827 19450
139 1 24 "Average Difference" N 33 3.881 -0.392 3.921 19450
140 1 24 "Average Difference" HA 34 0.360 -0.074 0.358 19450
141 1 24 "Average Difference" C 0 0.000 0.000 0.000 19450
142 1 24 "Average Difference" CA 33 2.251 0.117 2.282 19450
143 1 24 "Average Difference" CB 31 4.181 -1.534 3.954 19450
144 1 24 "Average Difference" HN 33 0.843 -0.179 0.837 19450
145 1 25 "Average Difference" N 33 3.977 -0.357 4.023 19450
146 1 25 "Average Difference" HA 34 0.353 -0.074 0.351 19450
147 1 25 "Average Difference" C 0 0.000 0.000 0.000 19450
148 1 25 "Average Difference" CA 33 2.353 0.157 2.384 19450
149 1 25 "Average Difference" CB 31 4.229 -1.589 3.984 19450
150 1 25 "Average Difference" HN 33 0.848 -0.202 0.836 19450
151 1 26 "Average Difference" N 33 4.037 -0.469 4.072 19450
152 1 26 "Average Difference" HA 34 0.361 -0.072 0.360 19450
153 1 26 "Average Difference" C 0 0.000 0.000 0.000 19450
154 1 26 "Average Difference" CA 33 2.276 0.129 2.308 19450
155 1 26 "Average Difference" CB 31 4.282 -1.634 4.023 19450
156 1 26 "Average Difference" HN 33 0.858 -0.234 0.838 19450
157 1 27 "Average Difference" N 33 4.114 -0.292 4.167 19450
158 1 27 "Average Difference" HA 34 0.354 -0.084 0.349 19450
159 1 27 "Average Difference" C 0 0.000 0.000 0.000 19450
160 1 27 "Average Difference" CA 33 2.296 0.145 2.327 19450
161 1 27 "Average Difference" CB 31 4.253 -1.626 3.995 19450
162 1 27 "Average Difference" HN 33 0.849 -0.184 0.842 19450
163 1 28 "Average Difference" N 33 3.941 -0.259 3.994 19450
164 1 28 "Average Difference" HA 34 0.363 -0.066 0.363 19450
165 1 28 "Average Difference" C 0 0.000 0.000 0.000 19450
166 1 28 "Average Difference" CA 33 2.298 0.141 2.329 19450
167 1 28 "Average Difference" CB 31 4.222 -1.567 3.986 19450
168 1 28 "Average Difference" HN 33 0.831 -0.172 0.826 19450
169 1 29 "Average Difference" N 33 3.906 -0.367 3.949 19450
170 1 29 "Average Difference" HA 34 0.347 -0.065 0.345 19450
171 1 29 "Average Difference" C 0 0.000 0.000 0.000 19450
172 1 29 "Average Difference" CA 33 2.265 0.109 2.297 19450
173 1 29 "Average Difference" CB 31 4.139 -1.528 3.910 19450
174 1 29 "Average Difference" HN 33 0.869 -0.228 0.852 19450
175 1 30 "Average Difference" N 33 4.032 -0.420 4.072 19450
176 1 30 "Average Difference" HA 34 0.366 -0.085 0.361 19450
177 1 30 "Average Difference" C 0 0.000 0.000 0.000 19450
178 1 30 "Average Difference" CA 33 2.284 0.168 2.313 19450
179 1 30 "Average Difference" CB 31 4.257 -1.589 4.015 19450
180 1 30 "Average Difference" HN 33 0.850 -0.205 0.838 19450
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 19450
_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 CYS N N 2 126.377 126.377 122.778 3.599 19450
2 1 . 1 1 2 2 CYS CB C 2 38.890 38.890 27.485 11.405 19450
3 1 . 1 1 2 2 CYS H H 2 9.029 9.029 8.474 0.555 19450
4 1 . 1 1 3 3 GLU N N 3 124.885 124.885 122.427 2.458 19450
5 1 . 1 1 3 3 GLU HA H 3 4.706 4.706 4.351 0.355 19450
6 1 . 1 1 3 3 GLU CA C 3 55.882 55.882 55.128 0.754 19450
7 1 . 1 1 3 3 GLU CB C 3 32.564 32.564 32.573 -0.009 19450
8 1 . 1 1 3 3 GLU H H 3 8.376 8.376 8.371 0.005 19450
9 1 . 1 1 4 4 ASP N N 4 121.930 121.930 120.172 1.758 19450
10 1 . 1 1 4 4 ASP HA H 4 5.148 5.148 4.666 0.482 19450
11 1 . 1 1 4 4 ASP CA C 4 55.056 55.056 54.443 0.613 19450
12 1 . 1 1 4 4 ASP CB C 4 43.228 43.228 40.581 2.647 19450
13 1 . 1 1 4 4 ASP H H 4 8.876 8.876 8.631 0.245 19450
14 1 . 1 1 5 5 LEU N N 5 119.092 119.092 122.051 -2.959 19450
15 1 . 1 1 5 5 LEU HA H 5 4.700 4.700 4.318 0.382 19450
16 1 . 1 1 5 5 LEU CA C 5 54.430 54.430 55.607 -1.177 19450
17 1 . 1 1 5 5 LEU CB C 5 43.361 43.361 42.509 0.852 19450
18 1 . 1 1 5 5 LEU H H 5 9.373 9.373 8.481 0.892 19450
19 1 . 1 1 6 6 ASN N N 6 117.782 117.782 117.277 0.505 19450
20 1 . 1 1 6 6 ASN HA H 6 4.918 4.918 4.816 0.102 19450
21 1 . 1 1 6 6 ASN CA C 6 53.017 53.017 52.353 0.664 19450
22 1 . 1 1 6 6 ASN CB C 6 42.915 42.915 40.673 2.242 19450
23 1 . 1 1 6 6 ASN H H 6 7.398 7.398 7.590 -0.192 19450
24 1 . 1 1 7 7 ALA N N 7 130.815 130.815 127.316 3.499 19450
25 1 . 1 1 7 7 ALA HA H 7 4.152 4.152 4.046 0.106 19450
26 1 . 1 1 7 7 ALA CA C 7 54.108 54.108 54.073 0.035 19450
27 1 . 1 1 7 7 ALA CB C 7 18.370 18.370 18.546 -0.175 19450
28 1 . 1 1 7 7 ALA H H 7 9.016 9.016 8.638 0.378 19450
29 1 . 1 1 8 8 HIS N N 8 114.507 114.507 114.625 -0.118 19450
30 1 . 1 1 8 8 HIS HA H 8 4.335 4.335 4.284 0.051 19450
31 1 . 1 1 8 8 HIS CA C 8 62.017 62.017 55.088 6.929 19450
32 1 . 1 1 8 8 HIS CB C 8 25.596 25.596 28.540 -2.944 19450
33 1 . 1 1 8 8 HIS H H 8 9.346 9.346 7.830 1.516 19450
34 1 . 1 1 9 9 CYS N N 9 116.419 116.419 119.184 -2.765 19450
35 1 . 1 1 9 9 CYS HA H 9 4.434 4.434 3.882 0.552 19450
36 1 . 1 1 9 9 CYS CA C 9 59.789 59.789 63.256 -3.467 19450
37 1 . 1 1 9 9 CYS CB C 9 36.932 36.932 26.507 10.425 19450
38 1 . 1 1 9 9 CYS H H 9 7.505 7.505 7.755 -0.250 19450
39 1 . 1 1 10 10 GLU N N 10 119.951 119.951 118.828 1.123 19450
40 1 . 1 1 10 10 GLU HA H 10 4.082 4.082 3.939 0.143 19450
41 1 . 1 1 10 10 GLU CA C 10 60.177 60.177 59.607 0.570 19450
42 1 . 1 1 10 10 GLU CB C 10 28.147 28.147 29.228 -1.081 19450
43 1 . 1 1 10 10 GLU H H 10 8.848 8.848 8.311 0.537 19450
44 1 . 1 1 11 11 MET N N 11 121.293 121.293 117.820 3.473 19450
45 1 . 1 1 11 11 MET HA H 11 4.107 4.107 4.196 -0.089 19450
46 1 . 1 1 11 11 MET CA C 11 58.574 58.574 58.497 0.077 19450
47 1 . 1 1 11 11 MET CB C 11 31.841 31.841 31.876 -0.035 19450
48 1 . 1 1 11 11 MET H H 11 7.920 7.920 7.865 0.054 19450
49 1 . 1 1 12 12 TRP N N 12 118.764 118.764 118.603 0.161 19450
50 1 . 1 1 12 12 TRP HA H 12 4.245 4.245 3.820 0.425 19450
51 1 . 1 1 12 12 TRP CA C 12 58.110 58.110 56.546 1.564 19450
52 1 . 1 1 12 12 TRP CB C 12 28.680 28.680 27.919 0.761 19450
53 1 . 1 1 12 12 TRP H H 12 8.383 8.383 8.081 0.302 19450
54 1 . 1 1 13 13 GLN N N 13 123.583 123.583 119.815 3.768 19450
55 1 . 1 1 13 13 GLN HA H 13 4.235 4.235 4.147 0.088 19450
56 1 . 1 1 13 13 GLN CA C 13 59.211 59.211 58.590 0.621 19450
57 1 . 1 1 13 13 GLN CB C 13 26.889 26.889 27.826 -0.937 19450
58 1 . 1 1 13 13 GLN H H 13 9.051 9.051 8.750 0.301 19450
59 1 . 1 1 14 14 GLN N N 14 114.111 114.111 120.108 -5.997 19450
60 1 . 1 1 14 14 GLN HA H 14 3.975 3.975 4.156 -0.181 19450
61 1 . 1 1 14 14 GLN CA C 14 58.935 58.935 58.322 0.613 19450
62 1 . 1 1 14 14 GLN CB C 14 27.999 27.999 28.328 -0.329 19450
63 1 . 1 1 14 14 GLN H H 14 8.359 8.359 8.356 0.003 19450
64 1 . 1 1 15 15 LEU N N 15 117.658 117.658 117.995 -0.337 19450
65 1 . 1 1 15 15 LEU HA H 15 4.471 4.471 4.551 -0.080 19450
66 1 . 1 1 15 15 LEU CA C 15 54.794 54.794 54.875 -0.082 19450
67 1 . 1 1 15 15 LEU CB C 15 43.107 43.107 42.228 0.879 19450
68 1 . 1 1 15 15 LEU H H 15 7.553 7.553 7.478 0.075 19450
69 1 . 1 1 16 16 GLY N N 16 106.380 106.380 105.632 0.748 19450
70 1 . 1 1 16 16 GLY CA C 16 46.260 46.260 45.425 0.835 19450
71 1 . 1 1 16 16 GLY H H 16 7.859 7.859 7.933 -0.075 19450
72 1 . 1 1 17 17 HIS N N 17 116.016 116.016 119.811 -3.795 19450
73 1 . 1 1 17 17 HIS HA H 17 4.233 4.233 4.309 -0.076 19450
74 1 . 1 1 17 17 HIS CA C 17 58.912 58.912 60.216 -1.304 19450
75 1 . 1 1 17 17 HIS CB C 17 29.782 29.782 30.038 -0.256 19450
76 1 . 1 1 17 17 HIS H H 17 8.606 8.606 9.168 -0.562 19450
77 1 . 1 1 18 18 CYS N N 18 119.185 119.185 115.759 3.426 19450
78 1 . 1 1 18 18 CYS HA H 18 4.020 4.020 4.449 -0.429 19450
79 1 . 1 1 18 18 CYS CA C 18 59.405 59.405 61.501 -2.096 19450
80 1 . 1 1 18 18 CYS CB C 18 37.937 37.937 26.609 11.328 19450
81 1 . 1 1 18 18 CYS H H 18 9.681 9.681 8.584 1.097 19450
82 1 . 1 1 19 19 GLN N N 19 114.091 114.091 118.528 -4.437 19450
83 1 . 1 1 19 19 GLN HA H 19 4.284 4.284 4.030 0.254 19450
84 1 . 1 1 19 19 GLN CA C 19 57.548 57.548 58.382 -0.834 19450
85 1 . 1 1 19 19 GLN CB C 19 28.742 28.742 28.631 0.111 19450
86 1 . 1 1 19 19 GLN H H 19 7.173 7.173 7.788 -0.615 19450
87 1 . 1 1 20 20 TYR N N 20 116.340 116.340 115.691 0.649 19450
88 1 . 1 1 20 20 TYR HA H 20 4.633 4.633 4.637 -0.004 19450
89 1 . 1 1 20 20 TYR CA C 20 58.801 58.801 59.249 -0.448 19450
90 1 . 1 1 20 20 TYR CB C 20 38.974 38.974 39.805 -0.831 19450
91 1 . 1 1 20 20 TYR H H 20 7.442 7.442 8.312 -0.870 19450
92 1 . 1 1 21 21 SER N N 21 123.873 123.873 114.284 9.589 19450
93 1 . 1 1 21 21 SER HA H 21 4.933 4.933 5.093 -0.160 19450
94 1 . 1 1 21 21 SER CA C 21 54.779 54.779 54.642 0.137 19450
95 1 . 1 1 21 21 SER CB C 21 63.040 63.040 63.770 -0.730 19450
96 1 . 1 1 21 21 SER H H 21 8.372 8.372 8.478 -0.106 19450
97 1 . 1 1 22 22 PRO HA H 22 4.243 4.243 4.572 -0.329 19450
98 1 . 1 1 22 22 PRO CA C 22 65.637 65.637 64.124 1.513 19450
99 1 . 1 1 22 22 PRO CB C 22 31.840 31.840 32.279 -0.439 19450
100 1 . 1 1 23 23 LYS N N 23 121.196 121.196 118.902 2.294 19450
101 1 . 1 1 23 23 LYS HA H 23 4.126 4.126 3.987 0.139 19450
102 1 . 1 1 23 23 LYS CA C 23 59.531 59.531 58.967 0.564 19450
103 1 . 1 1 23 23 LYS CB C 23 31.668 31.668 31.639 0.029 19450
104 1 . 1 1 23 23 LYS H H 23 8.225 8.225 8.623 -0.398 19450
105 1 . 1 1 24 24 TYR N N 24 120.716 120.716 113.915 6.801 19450
106 1 . 1 1 24 24 TYR HA H 24 4.324 4.324 4.796 -0.472 19450
107 1 . 1 1 24 24 TYR CA C 24 55.347 55.347 58.974 -3.627 19450
108 1 . 1 1 24 24 TYR CB C 24 39.369 39.369 39.127 0.242 19450
109 1 . 1 1 24 24 TYR H H 24 8.318 8.318 7.512 0.806 19450
110 1 . 1 1 25 25 MET N N 25 117.494 117.494 119.353 -1.859 19450
111 1 . 1 1 25 25 MET HA H 25 4.344 4.344 4.634 -0.290 19450
112 1 . 1 1 25 25 MET CA C 25 56.843 56.843 56.298 0.545 19450
113 1 . 1 1 25 25 MET CB C 25 31.620 31.620 32.388 -0.768 19450
114 1 . 1 1 25 25 MET H H 25 8.636 8.636 7.803 0.833 19450
115 1 . 1 1 26 26 GLY N N 26 104.942 104.942 106.124 -1.182 19450
116 1 . 1 1 26 26 GLY CA C 26 45.915 45.915 47.386 -1.471 19450
117 1 . 1 1 26 26 GLY H H 26 8.290 8.290 8.219 0.071 19450
118 1 . 1 1 27 27 HIS N N 27 115.046 115.046 117.533 -2.487 19450
119 1 . 1 1 27 27 HIS HA H 27 4.566 4.566 4.529 0.037 19450
120 1 . 1 1 27 27 HIS CA C 27 56.626 56.626 57.080 -0.454 19450
121 1 . 1 1 27 27 HIS CB C 27 29.875 29.875 30.085 -0.210 19450
122 1 . 1 1 27 27 HIS H H 27 7.206 7.206 8.357 -1.151 19450
123 1 . 1 1 28 28 TYR N N 28 114.431 114.431 116.241 -1.810 19450
124 1 . 1 1 28 28 TYR HA H 28 4.311 4.311 4.651 -0.340 19450
125 1 . 1 1 28 28 TYR CA C 28 61.449 61.449 60.166 1.283 19450
126 1 . 1 1 28 28 TYR CB C 28 40.662 40.662 42.311 -1.650 19450
127 1 . 1 1 28 28 TYR H H 28 8.199 8.199 7.739 0.460 19450
128 1 . 1 1 29 29 CYS N N 29 119.776 119.776 119.673 0.103 19450
129 1 . 1 1 29 29 CYS HA H 29 6.006 6.006 4.868 1.138 19450
130 1 . 1 1 29 29 CYS CA C 29 51.384 51.384 58.275 -6.891 19450
131 1 . 1 1 29 29 CYS CB C 29 37.055 37.055 27.531 9.524 19450
132 1 . 1 1 29 29 CYS H H 29 8.466 8.466 9.063 -0.597 19450
133 1 . 1 1 30 30 LYS N N 30 119.011 119.011 125.350 -6.339 19450
134 1 . 1 1 30 30 LYS HA H 30 3.594 3.594 4.250 -0.656 19450
135 1 . 1 1 30 30 LYS CA C 30 61.244 61.244 58.460 2.784 19450
136 1 . 1 1 30 30 LYS CB C 30 34.240 34.240 32.636 1.603 19450
137 1 . 1 1 30 30 LYS H H 30 8.872 8.872 8.559 0.313 19450
138 1 . 1 1 31 31 LYS N N 31 117.963 117.963 120.251 -2.288 19450
139 1 . 1 1 31 31 LYS HA H 31 4.028 4.028 3.886 0.142 19450
140 1 . 1 1 31 31 LYS CA C 31 58.969 58.969 59.296 -0.327 19450
141 1 . 1 1 31 31 LYS CB C 31 32.325 32.325 31.712 0.613 19450
142 1 . 1 1 31 31 LYS H H 31 7.183 7.183 8.435 -1.252 19450
143 1 . 1 1 32 32 ALA N N 32 129.495 129.495 119.429 10.066 19450
144 1 . 1 1 32 32 ALA HA H 32 4.114 4.114 4.256 -0.142 19450
145 1 . 1 1 32 32 ALA CA C 32 55.145 55.145 53.502 1.643 19450
146 1 . 1 1 32 32 ALA CB C 32 18.092 18.092 18.602 -0.510 19450
147 1 . 1 1 32 32 ALA H H 32 11.370 11.370 8.271 3.099 19450
148 1 . 1 1 33 33 CYS N N 33 109.017 109.017 115.564 -6.547 19450
149 1 . 1 1 33 33 CYS HA H 33 4.895 4.895 4.608 0.287 19450
150 1 . 1 1 33 33 CYS CA C 33 54.274 54.274 58.236 -3.962 19450
151 1 . 1 1 33 33 CYS CB C 33 37.793 37.793 30.452 7.341 19450
152 1 . 1 1 33 33 CYS H H 33 7.904 7.904 7.280 0.624 19450
153 1 . 1 1 34 34 GLY N N 34 110.854 110.854 109.925 0.929 19450
154 1 . 1 1 34 34 GLY CA C 34 47.128 47.128 46.183 0.945 19450
155 1 . 1 1 34 34 GLY H H 34 8.130 8.130 8.756 -0.626 19450
156 1 . 1 1 35 35 LEU N N 35 118.448 118.448 119.199 -0.751 19450
157 1 . 1 1 35 35 LEU HA H 35 4.498 4.498 4.452 0.046 19450
158 1 . 1 1 35 35 LEU CA C 35 54.259 54.259 55.743 -1.484 19450
159 1 . 1 1 35 35 LEU CB C 35 41.868 41.868 42.629 -0.761 19450
160 1 . 1 1 35 35 LEU H H 35 8.601 8.601 7.607 0.994 19450
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