data_18019
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18019
_Entry.PDB_ID 2LL1
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 18019
_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 2 117.089 117.089 116.383 0.706 18019
2 1 1 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.735 0.133 18019
3 1 1 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.986 -4.017 18019
4 1 1 . 1 1 2 2 CYS H H 2 8.734 8.734 8.329 0.405 18019
5 1 1 . 1 1 3 3 GLY N N 3 106.623 106.623 107.427 -0.804 18019
6 1 1 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.045 2.378 18019
7 1 1 . 1 1 3 3 GLY H H 3 9.036 9.036 8.186 0.850 18019
8 1 1 . 1 1 4 4 HIS N N 4 126.621 126.621 116.400 10.221 18019
9 1 1 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.498 -0.169 18019
10 1 1 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.795 -0.378 18019
11 1 1 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.025 -3.112 18019
12 1 1 . 1 1 4 4 HIS H H 4 9.430 9.430 7.573 1.857 18019
13 1 1 . 1 1 5 5 LEU N N 5 121.401 121.401 119.426 1.975 18019
14 1 1 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.123 -0.373 18019
15 1 1 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.703 0.844 18019
16 1 1 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.377 -0.922 18019
17 1 1 . 1 1 5 5 LEU H H 5 8.382 8.382 8.302 0.080 18019
18 1 1 . 1 1 6 6 HIS N N 6 116.370 116.370 113.051 3.319 18019
19 1 1 . 1 1 6 6 HIS HA H 6 3.952 3.952 5.012 -1.060 18019
20 1 1 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.642 3.887 18019
21 1 1 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.308 -1.510 18019
22 1 1 . 1 1 6 6 HIS H H 6 9.611 9.611 8.141 1.470 18019
23 1 1 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.904 0.050 18019
24 1 1 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.107 1.239 18019
25 1 1 . 1 1 7 7 ASP H H 7 8.793 8.793 7.263 1.530 18019
26 1 1 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.475 0.455 18019
27 1 1 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.720 -0.338 18019
28 1 1 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.797 0.249 18019
29 1 1 . 1 1 9 9 CYS N N 9 116.579 116.579 115.036 1.543 18019
30 1 1 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.262 -0.056 18019
31 1 1 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.266 -1.716 18019
32 1 1 . 1 1 9 9 CYS CB C 9 43.049 43.049 26.728 16.321 18019
33 1 1 . 1 1 9 9 CYS H H 9 8.235 8.235 8.323 -0.088 18019
34 1 1 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.327 0.071 18019
35 1 1 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.522 0.195 18019
36 1 1 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.098 -0.217 18019
37 1 1 . 1 1 11 11 ASN N N 11 116.436 116.436 117.616 -1.180 18019
38 1 1 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.744 0.190 18019
39 1 1 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.709 -0.326 18019
40 1 1 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.058 0.911 18019
41 1 1 . 1 1 11 11 ASN H H 11 8.901 8.901 8.241 0.660 18019
42 1 1 . 1 1 12 12 ASP N N 12 121.980 121.980 121.240 0.740 18019
43 1 1 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.488 0.522 18019
44 1 1 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.833 0.452 18019
45 1 1 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.216 3.749 18019
46 1 1 . 1 1 12 12 ASP H H 12 7.045 7.045 7.563 -0.518 18019
47 1 1 . 1 1 13 13 ARG N N 13 124.183 124.183 123.433 0.750 18019
48 1 1 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.877 -0.040 18019
49 1 1 . 1 1 13 13 ARG H H 13 8.214 8.214 7.856 0.358 18019
50 1 1 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.373 -0.166 18019
51 1 1 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.889 0.959 18019
52 1 1 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.315 0.713 18019
53 1 1 . 1 1 15 15 GLY N N 15 113.652 113.652 113.107 0.545 18019
54 1 1 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.910 0.326 18019
55 1 1 . 1 1 15 15 GLY H H 15 8.932 8.932 8.755 0.177 18019
56 1 1 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.702 -0.063 18019
57 1 1 . 1 1 16 16 HIS CA C 16 55.195 55.195 56.325 -1.130 18019
58 1 1 . 1 1 16 16 HIS CB C 16 28.287 28.287 30.676 -2.389 18019
59 1 1 . 1 1 16 16 HIS H H 16 8.764 8.764 7.829 0.935 18019
60 1 1 . 1 1 17 17 ARG N N 17 123.881 123.881 124.728 -0.847 18019
61 1 1 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.656 0.072 18019
62 1 1 . 1 1 17 17 ARG H H 17 8.632 8.632 8.119 0.513 18019
63 1 1 . 1 1 18 18 THR N N 18 114.176 114.176 111.030 3.146 18019
64 1 1 . 1 1 18 18 THR HA H 18 4.496 4.496 4.351 0.145 18019
65 1 1 . 1 1 18 18 THR CA C 18 62.491 62.491 61.994 0.497 18019
66 1 1 . 1 1 18 18 THR H H 18 9.527 9.527 8.421 1.106 18019
67 1 1 . 1 1 19 19 CYS N N 19 122.166 122.166 118.381 3.785 18019
68 1 1 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.718 0.001 18019
69 1 1 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.718 -3.224 18019
70 1 1 . 1 1 19 19 CYS CB C 19 38.212 38.212 28.765 9.447 18019
71 1 1 . 1 1 19 19 CYS H H 19 8.132 8.132 7.558 0.574 18019
72 1 1 . 1 1 20 20 CYS N N 20 123.615 123.615 122.061 1.554 18019
73 1 1 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.494 -0.092 18019
74 1 1 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.275 -4.974 18019
75 1 1 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.605 10.073 18019
76 1 1 . 1 1 20 20 CYS H H 20 10.015 10.015 8.694 1.321 18019
77 1 1 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.019 -0.133 18019
78 1 1 . 1 1 21 21 ILE CA C 21 62.705 62.705 63.151 -0.446 18019
79 1 1 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.616 -1.161 18019
80 1 1 . 1 1 21 21 ILE H H 21 8.097 8.097 8.625 -0.528 18019
81 1 1 . 1 1 22 22 GLY N N 22 114.980 114.980 114.871 0.109 18019
82 1 1 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.254 -0.832 18019
83 1 1 . 1 1 22 22 GLY H H 22 8.717 8.717 8.551 0.166 18019
84 1 1 . 1 1 23 23 LEU N N 23 120.903 120.903 118.376 2.527 18019
85 1 1 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.040 -0.063 18019
86 1 1 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.299 -0.045 18019
87 1 1 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.276 -2.069 18019
88 1 1 . 1 1 23 23 LEU H H 23 8.066 8.066 7.373 0.693 18019
89 1 1 . 1 1 24 24 GLN N N 24 118.630 118.630 117.968 0.662 18019
90 1 1 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.613 -0.081 18019
91 1 1 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.802 -1.056 18019
92 1 1 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.398 -0.955 18019
93 1 1 . 1 1 24 24 GLN H H 24 9.483 9.483 8.846 0.637 18019
94 1 1 . 1 1 25 25 CYS N N 25 125.114 125.114 125.251 -0.137 18019
95 1 1 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.296 -0.562 18019
96 1 1 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.238 14.159 18019
97 1 1 . 1 1 25 25 CYS H H 25 8.865 8.865 8.889 -0.024 18019
98 1 1 . 1 1 26 26 ARG N N 26 133.389 133.389 127.972 5.417 18019
99 1 1 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.482 -0.092 18019
100 1 1 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.568 0.427 18019
101 1 1 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.696 -1.183 18019
102 1 1 . 1 1 26 26 ARG H H 26 9.517 9.517 9.226 0.291 18019
103 1 1 . 1 1 27 27 TYR N N 27 122.855 122.855 119.029 3.826 18019
104 1 1 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.248 -0.093 18019
105 1 1 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.431 -0.511 18019
106 1 1 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.341 0.109 18019
107 1 1 . 1 1 27 27 TYR H H 27 8.949 8.949 8.499 0.450 18019
108 1 1 . 1 1 28 28 GLY N N 28 102.916 102.916 103.411 -0.495 18019
109 1 1 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.305 0.665 18019
110 1 1 . 1 1 28 28 GLY H H 28 8.327 8.327 8.738 -0.411 18019
111 1 1 . 1 1 29 29 LYS N N 29 122.470 122.470 118.193 4.277 18019
112 1 1 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.697 0.385 18019
113 1 1 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.869 -0.154 18019
114 1 1 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.938 0.106 18019
115 1 1 . 1 1 29 29 LYS H H 29 7.926 7.926 7.619 0.307 18019
116 1 1 . 1 1 30 30 CYS N N 30 119.755 119.755 119.531 0.224 18019
117 1 1 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.650 -0.805 18019
118 1 1 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.539 -3.047 18019
119 1 1 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.749 11.360 18019
120 1 1 . 1 1 30 30 CYS H H 30 8.812 8.812 8.265 0.547 18019
121 1 1 . 1 1 31 31 LEU N N 31 127.374 127.374 123.028 4.346 18019
122 1 1 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.990 -0.157 18019
123 1 1 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.480 1.512 18019
124 1 1 . 1 1 31 31 LEU H H 31 9.161 9.161 9.154 0.007 18019
125 1 1 . 1 1 32 32 VAL N N 32 119.330 119.330 120.004 -0.674 18019
126 1 1 . 1 1 32 32 VAL HA H 32 3.922 3.922 3.980 -0.058 18019
127 1 1 . 1 1 32 32 VAL CA C 32 64.622 64.622 62.103 2.519 18019
128 1 1 . 1 1 32 32 VAL CB C 32 32.244 32.244 32.105 0.139 18019
129 1 1 . 1 1 32 32 VAL H H 32 8.105 8.105 8.283 -0.178 18019
130 1 2 . 1 1 2 2 CYS N N 2 117.089 117.089 116.754 0.335 18019
131 1 2 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.832 0.036 18019
132 1 2 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.860 -3.891 18019
133 1 2 . 1 1 2 2 CYS H H 2 8.734 8.734 8.413 0.321 18019
134 1 2 . 1 1 3 3 GLY N N 3 106.623 106.623 107.467 -0.844 18019
135 1 2 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.072 2.351 18019
136 1 2 . 1 1 3 3 GLY H H 3 9.036 9.036 8.215 0.821 18019
137 1 2 . 1 1 4 4 HIS N N 4 126.621 126.621 116.410 10.211 18019
138 1 2 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.507 -0.178 18019
139 1 2 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.806 -0.389 18019
140 1 2 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.018 -3.105 18019
141 1 2 . 1 1 4 4 HIS H H 4 9.430 9.430 7.574 1.856 18019
142 1 2 . 1 1 5 5 LEU N N 5 121.401 121.401 119.435 1.966 18019
143 1 2 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.131 -0.381 18019
144 1 2 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.712 0.835 18019
145 1 2 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.382 -0.927 18019
146 1 2 . 1 1 5 5 LEU H H 5 8.382 8.382 8.308 0.074 18019
147 1 2 . 1 1 6 6 HIS N N 6 116.370 116.370 112.957 3.413 18019
148 1 2 . 1 1 6 6 HIS HA H 6 3.952 3.952 4.972 -1.020 18019
149 1 2 . 1 1 6 6 HIS CA C 6 58.529 58.529 55.011 3.518 18019
150 1 2 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.275 -1.477 18019
151 1 2 . 1 1 6 6 HIS H H 6 9.611 9.611 8.190 1.421 18019
152 1 2 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.936 0.018 18019
153 1 2 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.230 1.116 18019
154 1 2 . 1 1 7 7 ASP H H 7 8.793 8.793 7.306 1.487 18019
155 1 2 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.509 0.421 18019
156 1 2 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.736 -0.354 18019
157 1 2 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.622 0.424 18019
158 1 2 . 1 1 9 9 CYS N N 9 116.579 116.579 115.117 1.462 18019
159 1 2 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.267 -0.061 18019
160 1 2 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.454 -1.904 18019
161 1 2 . 1 1 9 9 CYS CB C 9 43.049 43.049 27.039 16.010 18019
162 1 2 . 1 1 9 9 CYS H H 9 8.235 8.235 8.504 -0.269 18019
163 1 2 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.319 0.079 18019
164 1 2 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.463 0.254 18019
165 1 2 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.104 -0.223 18019
166 1 2 . 1 1 11 11 ASN N N 11 116.436 116.436 117.619 -1.183 18019
167 1 2 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.717 0.217 18019
168 1 2 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.693 -0.310 18019
169 1 2 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.204 0.765 18019
170 1 2 . 1 1 11 11 ASN H H 11 8.901 8.901 8.196 0.705 18019
171 1 2 . 1 1 12 12 ASP N N 12 121.980 121.980 121.373 0.607 18019
172 1 2 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.502 0.508 18019
173 1 2 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.721 0.564 18019
174 1 2 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.053 3.912 18019
175 1 2 . 1 1 12 12 ASP H H 12 7.045 7.045 7.565 -0.520 18019
176 1 2 . 1 1 13 13 ARG N N 13 124.183 124.183 123.484 0.699 18019
177 1 2 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.877 -0.040 18019
178 1 2 . 1 1 13 13 ARG H H 13 8.214 8.214 7.840 0.374 18019
179 1 2 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.362 -0.155 18019
180 1 2 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.962 0.886 18019
181 1 2 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.290 0.738 18019
182 1 2 . 1 1 15 15 GLY N N 15 113.652 113.652 112.957 0.695 18019
183 1 2 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.897 0.339 18019
184 1 2 . 1 1 15 15 GLY H H 15 8.932 8.932 8.644 0.288 18019
185 1 2 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.728 -0.089 18019
186 1 2 . 1 1 16 16 HIS CA C 16 55.195 55.195 55.974 -0.779 18019
187 1 2 . 1 1 16 16 HIS CB C 16 28.287 28.287 31.269 -2.982 18019
188 1 2 . 1 1 16 16 HIS H H 16 8.764 8.764 7.877 0.887 18019
189 1 2 . 1 1 17 17 ARG N N 17 123.881 123.881 124.110 -0.229 18019
190 1 2 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.680 0.048 18019
191 1 2 . 1 1 17 17 ARG H H 17 8.632 8.632 8.418 0.214 18019
192 1 2 . 1 1 18 18 THR N N 18 114.176 114.176 112.062 2.114 18019
193 1 2 . 1 1 18 18 THR HA H 18 4.496 4.496 4.428 0.068 18019
194 1 2 . 1 1 18 18 THR CA C 18 62.491 62.491 62.050 0.441 18019
195 1 2 . 1 1 18 18 THR H H 18 9.527 9.527 8.320 1.207 18019
196 1 2 . 1 1 19 19 CYS N N 19 122.166 122.166 118.489 3.677 18019
197 1 2 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.726 -0.007 18019
198 1 2 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.606 -3.112 18019
199 1 2 . 1 1 19 19 CYS CB C 19 38.212 38.212 29.407 8.805 18019
200 1 2 . 1 1 19 19 CYS H H 19 8.132 8.132 7.642 0.490 18019
201 1 2 . 1 1 20 20 CYS N N 20 123.615 123.615 122.045 1.570 18019
202 1 2 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.532 -0.130 18019
203 1 2 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.277 -4.976 18019
204 1 2 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.650 10.029 18019
205 1 2 . 1 1 20 20 CYS H H 20 10.015 10.015 8.716 1.299 18019
206 1 2 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.032 -0.146 18019
207 1 2 . 1 1 21 21 ILE CA C 21 62.705 62.705 63.174 -0.469 18019
208 1 2 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.626 -1.171 18019
209 1 2 . 1 1 21 21 ILE H H 21 8.097 8.097 8.644 -0.547 18019
210 1 2 . 1 1 22 22 GLY N N 22 114.980 114.980 114.882 0.098 18019
211 1 2 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.256 -0.834 18019
212 1 2 . 1 1 22 22 GLY H H 22 8.717 8.717 8.558 0.159 18019
213 1 2 . 1 1 23 23 LEU N N 23 120.903 120.903 118.158 2.745 18019
214 1 2 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.058 -0.081 18019
215 1 2 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.241 0.013 18019
216 1 2 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.231 -2.024 18019
217 1 2 . 1 1 23 23 LEU H H 23 8.066 8.066 7.420 0.646 18019
218 1 2 . 1 1 24 24 GLN N N 24 118.630 118.630 116.852 1.778 18019
219 1 2 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.595 -0.063 18019
220 1 2 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.688 -0.942 18019
221 1 2 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.183 -0.740 18019
222 1 2 . 1 1 24 24 GLN H H 24 9.483 9.483 8.698 0.785 18019
223 1 2 . 1 1 25 25 CYS N N 25 125.114 125.114 125.095 0.019 18019
224 1 2 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.241 -0.507 18019
225 1 2 . 1 1 25 25 CYS CB C 25 40.398 40.398 25.850 14.548 18019
226 1 2 . 1 1 25 25 CYS H H 25 8.865 8.865 8.855 0.010 18019
227 1 2 . 1 1 26 26 ARG N N 26 133.389 133.389 127.921 5.468 18019
228 1 2 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.476 -0.086 18019
229 1 2 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.069 0.926 18019
230 1 2 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.125 -0.612 18019
231 1 2 . 1 1 26 26 ARG H H 26 9.517 9.517 9.231 0.286 18019
232 1 2 . 1 1 27 27 TYR N N 27 122.855 122.855 118.981 3.874 18019
233 1 2 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.249 -0.094 18019
234 1 2 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.434 -0.514 18019
235 1 2 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.344 0.106 18019
236 1 2 . 1 1 27 27 TYR H H 27 8.949 8.949 8.499 0.450 18019
237 1 2 . 1 1 28 28 GLY N N 28 102.916 102.916 103.336 -0.420 18019
238 1 2 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.319 0.651 18019
239 1 2 . 1 1 28 28 GLY H H 28 8.327 8.327 8.737 -0.410 18019
240 1 2 . 1 1 29 29 LYS N N 29 122.470 122.470 118.181 4.289 18019
241 1 2 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.701 0.381 18019
242 1 2 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.895 -0.180 18019
243 1 2 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.947 0.098 18019
244 1 2 . 1 1 29 29 LYS H H 29 7.926 7.926 7.619 0.307 18019
245 1 2 . 1 1 30 30 CYS N N 30 119.755 119.755 119.579 0.176 18019
246 1 2 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.655 -0.810 18019
247 1 2 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.546 -3.054 18019
248 1 2 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.748 11.361 18019
249 1 2 . 1 1 30 30 CYS H H 30 8.812 8.812 8.268 0.544 18019
250 1 2 . 1 1 31 31 LEU N N 31 127.374 127.374 123.058 4.316 18019
251 1 2 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.995 -0.162 18019
252 1 2 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.483 1.509 18019
253 1 2 . 1 1 31 31 LEU H H 31 9.161 9.161 9.159 0.002 18019
254 1 2 . 1 1 32 32 VAL N N 32 119.330 119.330 120.006 -0.676 18019
255 1 2 . 1 1 32 32 VAL HA H 32 3.922 3.922 3.982 -0.060 18019
256 1 2 . 1 1 32 32 VAL CA C 32 64.622 64.622 62.108 2.514 18019
257 1 2 . 1 1 32 32 VAL CB C 32 32.244 32.244 32.095 0.149 18019
258 1 2 . 1 1 32 32 VAL H H 32 8.105 8.105 8.284 -0.179 18019
259 1 3 . 1 1 2 2 CYS N N 2 117.089 117.089 116.059 1.030 18019
260 1 3 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.787 0.081 18019
261 1 3 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.931 -3.962 18019
262 1 3 . 1 1 2 2 CYS H H 2 8.734 8.734 8.409 0.325 18019
263 1 3 . 1 1 3 3 GLY N N 3 106.623 106.623 107.432 -0.809 18019
264 1 3 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.070 2.353 18019
265 1 3 . 1 1 3 3 GLY H H 3 9.036 9.036 8.225 0.811 18019
266 1 3 . 1 1 4 4 HIS N N 4 126.621 126.621 116.399 10.222 18019
267 1 3 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.509 -0.180 18019
268 1 3 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.804 -0.387 18019
269 1 3 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.017 -3.104 18019
270 1 3 . 1 1 4 4 HIS H H 4 9.430 9.430 7.569 1.861 18019
271 1 3 . 1 1 5 5 LEU N N 5 121.401 121.401 119.436 1.965 18019
272 1 3 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.131 -0.381 18019
273 1 3 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.709 0.838 18019
274 1 3 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.380 -0.924 18019
275 1 3 . 1 1 5 5 LEU H H 5 8.382 8.382 8.310 0.072 18019
276 1 3 . 1 1 6 6 HIS N N 6 116.370 116.370 113.234 3.136 18019
277 1 3 . 1 1 6 6 HIS HA H 6 3.952 3.952 5.039 -1.087 18019
278 1 3 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.181 4.348 18019
279 1 3 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.607 -1.809 18019
280 1 3 . 1 1 6 6 HIS H H 6 9.611 9.611 8.059 1.552 18019
281 1 3 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.972 -0.018 18019
282 1 3 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.134 1.212 18019
283 1 3 . 1 1 7 7 ASP H H 7 8.793 8.793 7.457 1.336 18019
284 1 3 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.477 0.453 18019
285 1 3 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.719 -0.337 18019
286 1 3 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.784 0.262 18019
287 1 3 . 1 1 9 9 CYS N N 9 116.579 116.579 115.178 1.401 18019
288 1 3 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.264 -0.058 18019
289 1 3 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.252 -1.702 18019
290 1 3 . 1 1 9 9 CYS CB C 9 43.049 43.049 26.722 16.327 18019
291 1 3 . 1 1 9 9 CYS H H 9 8.235 8.235 8.323 -0.088 18019
292 1 3 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.319 0.079 18019
293 1 3 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.475 0.242 18019
294 1 3 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.107 -0.226 18019
295 1 3 . 1 1 11 11 ASN N N 11 116.436 116.436 117.645 -1.209 18019
296 1 3 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.730 0.204 18019
297 1 3 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.733 -0.350 18019
298 1 3 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.179 0.790 18019
299 1 3 . 1 1 11 11 ASN H H 11 8.901 8.901 8.219 0.682 18019
300 1 3 . 1 1 12 12 ASP N N 12 121.980 121.980 121.235 0.745 18019
301 1 3 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.486 0.524 18019
302 1 3 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.849 0.437 18019
303 1 3 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.220 3.745 18019
304 1 3 . 1 1 12 12 ASP H H 12 7.045 7.045 7.571 -0.526 18019
305 1 3 . 1 1 13 13 ARG N N 13 124.183 124.183 123.465 0.718 18019
306 1 3 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.878 -0.041 18019
307 1 3 . 1 1 13 13 ARG H H 13 8.214 8.214 7.861 0.353 18019
308 1 3 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.353 -0.146 18019
309 1 3 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.860 0.988 18019
310 1 3 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.307 0.721 18019
311 1 3 . 1 1 15 15 GLY N N 15 113.652 113.652 112.943 0.709 18019
312 1 3 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.897 0.339 18019
313 1 3 . 1 1 15 15 GLY H H 15 8.932 8.932 8.642 0.290 18019
314 1 3 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.724 -0.085 18019
315 1 3 . 1 1 16 16 HIS CA C 16 55.195 55.195 55.953 -0.758 18019
316 1 3 . 1 1 16 16 HIS CB C 16 28.287 28.287 31.198 -2.911 18019
317 1 3 . 1 1 16 16 HIS H H 16 8.764 8.764 7.877 0.887 18019
318 1 3 . 1 1 17 17 ARG N N 17 123.881 123.881 124.104 -0.223 18019
319 1 3 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.695 0.033 18019
320 1 3 . 1 1 17 17 ARG H H 17 8.632 8.632 8.278 0.354 18019
321 1 3 . 1 1 18 18 THR N N 18 114.176 114.176 111.425 2.751 18019
322 1 3 . 1 1 18 18 THR HA H 18 4.496 4.496 4.425 0.071 18019
323 1 3 . 1 1 18 18 THR CA C 18 62.491 62.491 61.632 0.859 18019
324 1 3 . 1 1 18 18 THR H H 18 9.527 9.527 8.470 1.057 18019
325 1 3 . 1 1 19 19 CYS N N 19 122.166 122.166 118.466 3.700 18019
326 1 3 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.750 -0.031 18019
327 1 3 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.495 -3.001 18019
328 1 3 . 1 1 19 19 CYS CB C 19 38.212 38.212 28.917 9.295 18019
329 1 3 . 1 1 19 19 CYS H H 19 8.132 8.132 7.614 0.518 18019
330 1 3 . 1 1 20 20 CYS N N 20 123.615 123.615 122.047 1.568 18019
331 1 3 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.533 -0.131 18019
332 1 3 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.360 -5.059 18019
333 1 3 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.686 9.993 18019
334 1 3 . 1 1 20 20 CYS H H 20 10.015 10.015 8.721 1.294 18019
335 1 3 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.025 -0.139 18019
336 1 3 . 1 1 21 21 ILE CA C 21 62.705 62.705 63.290 -0.585 18019
337 1 3 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.642 -1.187 18019
338 1 3 . 1 1 21 21 ILE H H 21 8.097 8.097 8.636 -0.539 18019
339 1 3 . 1 1 22 22 GLY N N 22 114.980 114.980 114.948 0.032 18019
340 1 3 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.230 -0.808 18019
341 1 3 . 1 1 22 22 GLY H H 22 8.717 8.717 8.554 0.163 18019
342 1 3 . 1 1 23 23 LEU N N 23 120.903 120.903 118.457 2.446 18019
343 1 3 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.039 -0.062 18019
344 1 3 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.316 -0.062 18019
345 1 3 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.186 -1.979 18019
346 1 3 . 1 1 23 23 LEU H H 23 8.066 8.066 7.375 0.691 18019
347 1 3 . 1 1 24 24 GLN N N 24 118.630 118.630 117.650 0.980 18019
348 1 3 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.637 -0.105 18019
349 1 3 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.842 -1.096 18019
350 1 3 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.288 -0.845 18019
351 1 3 . 1 1 24 24 GLN H H 24 9.483 9.483 8.805 0.678 18019
352 1 3 . 1 1 25 25 CYS N N 25 125.114 125.114 125.248 -0.134 18019
353 1 3 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.298 -0.564 18019
354 1 3 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.255 14.143 18019
355 1 3 . 1 1 25 25 CYS H H 25 8.865 8.865 8.896 -0.031 18019
356 1 3 . 1 1 26 26 ARG N N 26 133.389 133.389 127.972 5.417 18019
357 1 3 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.486 -0.096 18019
358 1 3 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.591 0.404 18019
359 1 3 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.679 -1.166 18019
360 1 3 . 1 1 26 26 ARG H H 26 9.517 9.517 9.224 0.293 18019
361 1 3 . 1 1 27 27 TYR N N 27 122.855 122.855 118.866 3.989 18019
362 1 3 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.212 -0.057 18019
363 1 3 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.338 -0.418 18019
364 1 3 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.083 0.367 18019
365 1 3 . 1 1 27 27 TYR H H 27 8.949 8.949 8.788 0.161 18019
366 1 3 . 1 1 28 28 GLY N N 28 102.916 102.916 102.978 -0.062 18019
367 1 3 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.303 0.667 18019
368 1 3 . 1 1 28 28 GLY H H 28 8.327 8.327 8.694 -0.367 18019
369 1 3 . 1 1 29 29 LYS N N 29 122.470 122.470 118.186 4.284 18019
370 1 3 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.701 0.381 18019
371 1 3 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.893 -0.178 18019
372 1 3 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.949 0.096 18019
373 1 3 . 1 1 29 29 LYS H H 29 7.926 7.926 7.619 0.307 18019
374 1 3 . 1 1 30 30 CYS N N 30 119.755 119.755 119.621 0.134 18019
375 1 3 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.654 -0.809 18019
376 1 3 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.551 -3.059 18019
377 1 3 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.724 11.385 18019
378 1 3 . 1 1 30 30 CYS H H 30 8.812 8.812 8.269 0.543 18019
379 1 3 . 1 1 31 31 LEU N N 31 127.374 127.374 123.119 4.255 18019
380 1 3 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.995 -0.162 18019
381 1 3 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.487 1.505 18019
382 1 3 . 1 1 31 31 LEU H H 31 9.161 9.161 9.165 -0.004 18019
383 1 3 . 1 1 32 32 VAL N N 32 119.330 119.330 119.968 -0.638 18019
384 1 3 . 1 1 32 32 VAL HA H 32 3.922 3.922 3.995 -0.073 18019
385 1 3 . 1 1 32 32 VAL CA C 32 64.622 64.622 62.093 2.529 18019
386 1 3 . 1 1 32 32 VAL CB C 32 32.244 32.244 32.361 -0.117 18019
387 1 3 . 1 1 32 32 VAL H H 32 8.105 8.105 8.315 -0.210 18019
388 1 4 . 1 1 2 2 CYS N N 2 117.089 117.089 116.053 1.036 18019
389 1 4 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.792 0.076 18019
390 1 4 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.709 -3.740 18019
391 1 4 . 1 1 2 2 CYS H H 2 8.734 8.734 7.808 0.926 18019
392 1 4 . 1 1 3 3 GLY N N 3 106.623 106.623 107.453 -0.830 18019
393 1 4 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.079 2.344 18019
394 1 4 . 1 1 3 3 GLY H H 3 9.036 9.036 8.219 0.817 18019
395 1 4 . 1 1 4 4 HIS N N 4 126.621 126.621 116.412 10.209 18019
396 1 4 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.506 -0.177 18019
397 1 4 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.805 -0.388 18019
398 1 4 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.020 -3.107 18019
399 1 4 . 1 1 4 4 HIS H H 4 9.430 9.430 7.578 1.852 18019
400 1 4 . 1 1 5 5 LEU N N 5 121.401 121.401 119.438 1.963 18019
401 1 4 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.130 -0.380 18019
402 1 4 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.712 0.835 18019
403 1 4 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.380 -0.925 18019
404 1 4 . 1 1 5 5 LEU H H 5 8.382 8.382 8.309 0.073 18019
405 1 4 . 1 1 6 6 HIS N N 6 116.370 116.370 112.835 3.535 18019
406 1 4 . 1 1 6 6 HIS HA H 6 3.952 3.952 5.047 -1.095 18019
407 1 4 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.384 4.145 18019
408 1 4 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.434 -1.636 18019
409 1 4 . 1 1 6 6 HIS H H 6 9.611 9.611 8.165 1.446 18019
410 1 4 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.940 0.014 18019
411 1 4 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.066 1.280 18019
412 1 4 . 1 1 7 7 ASP H H 7 8.793 8.793 7.282 1.511 18019
413 1 4 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.508 0.422 18019
414 1 4 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.740 -0.358 18019
415 1 4 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.621 0.425 18019
416 1 4 . 1 1 9 9 CYS N N 9 116.579 116.579 115.117 1.462 18019
417 1 4 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.268 -0.062 18019
418 1 4 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.452 -1.902 18019
419 1 4 . 1 1 9 9 CYS CB C 9 43.049 43.049 27.042 16.007 18019
420 1 4 . 1 1 9 9 CYS H H 9 8.235 8.235 8.504 -0.269 18019
421 1 4 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.313 0.085 18019
422 1 4 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.430 0.287 18019
423 1 4 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.116 -0.235 18019
424 1 4 . 1 1 11 11 ASN N N 11 116.436 116.436 118.240 -1.804 18019
425 1 4 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.749 0.185 18019
426 1 4 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.615 -0.232 18019
427 1 4 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.217 0.752 18019
428 1 4 . 1 1 11 11 ASN H H 11 8.901 8.901 8.231 0.670 18019
429 1 4 . 1 1 12 12 ASP N N 12 121.980 121.980 121.117 0.863 18019
430 1 4 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.519 0.491 18019
431 1 4 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.760 0.525 18019
432 1 4 . 1 1 12 12 ASP CB C 12 44.965 44.965 40.995 3.970 18019
433 1 4 . 1 1 12 12 ASP H H 12 7.045 7.045 7.573 -0.528 18019
434 1 4 . 1 1 13 13 ARG N N 13 124.183 124.183 123.464 0.719 18019
435 1 4 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.877 -0.040 18019
436 1 4 . 1 1 13 13 ARG H H 13 8.214 8.214 7.840 0.374 18019
437 1 4 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.359 -0.152 18019
438 1 4 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.959 0.889 18019
439 1 4 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.283 0.745 18019
440 1 4 . 1 1 15 15 GLY N N 15 113.652 113.652 112.980 0.672 18019
441 1 4 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.892 0.344 18019
442 1 4 . 1 1 15 15 GLY H H 15 8.932 8.932 8.646 0.286 18019
443 1 4 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.727 -0.088 18019
444 1 4 . 1 1 16 16 HIS CA C 16 55.195 55.195 55.923 -0.728 18019
445 1 4 . 1 1 16 16 HIS CB C 16 28.287 28.287 31.188 -2.901 18019
446 1 4 . 1 1 16 16 HIS H H 16 8.764 8.764 7.872 0.892 18019
447 1 4 . 1 1 17 17 ARG N N 17 123.881 123.881 123.486 0.395 18019
448 1 4 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.688 0.040 18019
449 1 4 . 1 1 17 17 ARG H H 17 8.632 8.632 8.395 0.237 18019
450 1 4 . 1 1 18 18 THR N N 18 114.176 114.176 110.800 3.376 18019
451 1 4 . 1 1 18 18 THR HA H 18 4.496 4.496 4.395 0.101 18019
452 1 4 . 1 1 18 18 THR CA C 18 62.491 62.491 62.048 0.443 18019
453 1 4 . 1 1 18 18 THR H H 18 9.527 9.527 8.332 1.195 18019
454 1 4 . 1 1 19 19 CYS N N 19 122.166 122.166 118.475 3.691 18019
455 1 4 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.738 -0.019 18019
456 1 4 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.713 -3.219 18019
457 1 4 . 1 1 19 19 CYS CB C 19 38.212 38.212 28.823 9.389 18019
458 1 4 . 1 1 19 19 CYS H H 19 8.132 8.132 7.604 0.528 18019
459 1 4 . 1 1 20 20 CYS N N 20 123.615 123.615 122.021 1.594 18019
460 1 4 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.530 -0.128 18019
461 1 4 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.334 -5.033 18019
462 1 4 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.645 10.034 18019
463 1 4 . 1 1 20 20 CYS H H 20 10.015 10.015 8.717 1.298 18019
464 1 4 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.034 -0.148 18019
465 1 4 . 1 1 21 21 ILE CA C 21 62.705 62.705 63.213 -0.508 18019
466 1 4 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.645 -1.190 18019
467 1 4 . 1 1 21 21 ILE H H 21 8.097 8.097 8.640 -0.543 18019
468 1 4 . 1 1 22 22 GLY N N 22 114.980 114.980 114.901 0.079 18019
469 1 4 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.259 -0.837 18019
470 1 4 . 1 1 22 22 GLY H H 22 8.717 8.717 8.558 0.159 18019
471 1 4 . 1 1 23 23 LEU N N 23 120.903 120.903 118.417 2.486 18019
472 1 4 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.050 -0.073 18019
473 1 4 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.301 -0.047 18019
474 1 4 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.234 -2.027 18019
475 1 4 . 1 1 23 23 LEU H H 23 8.066 8.066 7.379 0.687 18019
476 1 4 . 1 1 24 24 GLN N N 24 118.630 118.630 117.471 1.159 18019
477 1 4 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.618 -0.086 18019
478 1 4 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.810 -1.064 18019
479 1 4 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.306 -0.863 18019
480 1 4 . 1 1 24 24 GLN H H 24 9.483 9.483 8.742 0.741 18019
481 1 4 . 1 1 25 25 CYS N N 25 125.114 125.114 125.182 -0.068 18019
482 1 4 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.297 -0.563 18019
483 1 4 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.118 14.280 18019
484 1 4 . 1 1 25 25 CYS H H 25 8.865 8.865 8.878 -0.013 18019
485 1 4 . 1 1 26 26 ARG N N 26 133.389 133.389 128.040 5.349 18019
486 1 4 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.464 -0.074 18019
487 1 4 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.433 0.562 18019
488 1 4 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.836 -1.323 18019
489 1 4 . 1 1 26 26 ARG H H 26 9.517 9.517 9.249 0.268 18019
490 1 4 . 1 1 27 27 TYR N N 27 122.855 122.855 119.030 3.825 18019
491 1 4 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.248 -0.093 18019
492 1 4 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.431 -0.511 18019
493 1 4 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.341 0.109 18019
494 1 4 . 1 1 27 27 TYR H H 27 8.949 8.949 8.500 0.449 18019
495 1 4 . 1 1 28 28 GLY N N 28 102.916 102.916 103.412 -0.496 18019
496 1 4 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.306 0.664 18019
497 1 4 . 1 1 28 28 GLY H H 28 8.327 8.327 8.739 -0.412 18019
498 1 4 . 1 1 29 29 LYS N N 29 122.470 122.470 118.195 4.275 18019
499 1 4 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.700 0.382 18019
500 1 4 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.867 -0.152 18019
501 1 4 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.942 0.103 18019
502 1 4 . 1 1 29 29 LYS H H 29 7.926 7.926 7.622 0.304 18019
503 1 4 . 1 1 30 30 CYS N N 30 119.755 119.755 119.541 0.214 18019
504 1 4 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.654 -0.809 18019
505 1 4 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.544 -3.053 18019
506 1 4 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.756 11.354 18019
507 1 4 . 1 1 30 30 CYS H H 30 8.812 8.812 8.270 0.542 18019
508 1 4 . 1 1 31 31 LEU N N 31 127.374 127.374 123.202 4.172 18019
509 1 4 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.984 -0.151 18019
510 1 4 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.308 1.684 18019
511 1 4 . 1 1 31 31 LEU H H 31 9.161 9.161 9.160 0.001 18019
512 1 4 . 1 1 32 32 VAL N N 32 119.330 119.330 119.991 -0.661 18019
513 1 4 . 1 1 32 32 VAL HA H 32 3.922 3.922 4.089 -0.167 18019
514 1 4 . 1 1 32 32 VAL CA C 32 64.622 64.622 60.901 3.721 18019
515 1 4 . 1 1 32 32 VAL CB C 32 32.244 32.244 31.728 0.516 18019
516 1 4 . 1 1 32 32 VAL H H 32 8.105 8.105 8.226 -0.121 18019
517 1 5 . 1 1 2 2 CYS N N 2 117.089 117.089 115.121 1.968 18019
518 1 5 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.890 -0.022 18019
519 1 5 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.293 -3.324 18019
520 1 5 . 1 1 2 2 CYS H H 2 8.734 8.734 7.754 0.980 18019
521 1 5 . 1 1 3 3 GLY N N 3 106.623 106.623 107.420 -0.797 18019
522 1 5 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.048 2.375 18019
523 1 5 . 1 1 3 3 GLY H H 3 9.036 9.036 8.182 0.854 18019
524 1 5 . 1 1 4 4 HIS N N 4 126.621 126.621 116.390 10.231 18019
525 1 5 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.500 -0.171 18019
526 1 5 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.789 -0.372 18019
527 1 5 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.010 -3.097 18019
528 1 5 . 1 1 4 4 HIS H H 4 9.430 9.430 7.567 1.863 18019
529 1 5 . 1 1 5 5 LEU N N 5 121.401 121.401 119.426 1.975 18019
530 1 5 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.122 -0.372 18019
531 1 5 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.701 0.846 18019
532 1 5 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.374 -0.919 18019
533 1 5 . 1 1 5 5 LEU H H 5 8.382 8.382 8.303 0.079 18019
534 1 5 . 1 1 6 6 HIS N N 6 116.370 116.370 113.214 3.156 18019
535 1 5 . 1 1 6 6 HIS HA H 6 3.952 3.952 5.035 -1.083 18019
536 1 5 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.167 4.362 18019
537 1 5 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.608 -1.810 18019
538 1 5 . 1 1 6 6 HIS H H 6 9.611 9.611 8.053 1.558 18019
539 1 5 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.963 -0.009 18019
540 1 5 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.126 1.220 18019
541 1 5 . 1 1 7 7 ASP H H 7 8.793 8.793 7.448 1.345 18019
542 1 5 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.469 0.461 18019
543 1 5 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.710 -0.328 18019
544 1 5 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.767 0.279 18019
545 1 5 . 1 1 9 9 CYS N N 9 116.579 116.579 115.254 1.325 18019
546 1 5 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.244 -0.038 18019
547 1 5 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.220 -1.670 18019
548 1 5 . 1 1 9 9 CYS CB C 9 43.049 43.049 26.698 16.351 18019
549 1 5 . 1 1 9 9 CYS H H 9 8.235 8.235 8.314 -0.079 18019
550 1 5 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.325 0.073 18019
551 1 5 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.556 0.161 18019
552 1 5 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.086 -0.204 18019
553 1 5 . 1 1 11 11 ASN N N 11 116.436 116.436 118.068 -1.632 18019
554 1 5 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.773 0.161 18019
555 1 5 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.443 -0.060 18019
556 1 5 . 1 1 11 11 ASN CB C 11 38.969 38.969 37.784 1.185 18019
557 1 5 . 1 1 11 11 ASN H H 11 8.901 8.901 8.274 0.627 18019
558 1 5 . 1 1 12 12 ASP N N 12 121.980 121.980 120.846 1.134 18019
559 1 5 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.468 0.542 18019
560 1 5 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.842 0.443 18019
561 1 5 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.179 3.786 18019
562 1 5 . 1 1 12 12 ASP H H 12 7.045 7.045 7.522 -0.477 18019
563 1 5 . 1 1 13 13 ARG N N 13 124.183 124.183 123.405 0.778 18019
564 1 5 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.872 -0.035 18019
565 1 5 . 1 1 13 13 ARG H H 13 8.214 8.214 7.830 0.384 18019
566 1 5 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.373 -0.166 18019
567 1 5 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.876 0.972 18019
568 1 5 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.315 0.713 18019
569 1 5 . 1 1 15 15 GLY N N 15 113.652 113.652 113.159 0.493 18019
570 1 5 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.968 0.268 18019
571 1 5 . 1 1 15 15 GLY H H 15 8.932 8.932 8.758 0.174 18019
572 1 5 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.754 -0.115 18019
573 1 5 . 1 1 16 16 HIS CA C 16 55.195 55.195 55.983 -0.788 18019
574 1 5 . 1 1 16 16 HIS CB C 16 28.287 28.287 30.618 -2.331 18019
575 1 5 . 1 1 16 16 HIS H H 16 8.764 8.764 7.855 0.909 18019
576 1 5 . 1 1 17 17 ARG N N 17 123.881 123.881 125.167 -1.286 18019
577 1 5 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.618 0.110 18019
578 1 5 . 1 1 17 17 ARG H H 17 8.632 8.632 8.193 0.439 18019
579 1 5 . 1 1 18 18 THR N N 18 114.176 114.176 111.377 2.799 18019
580 1 5 . 1 1 18 18 THR HA H 18 4.496 4.496 4.302 0.194 18019
581 1 5 . 1 1 18 18 THR CA C 18 62.491 62.491 61.523 0.968 18019
582 1 5 . 1 1 18 18 THR H H 18 9.527 9.527 8.389 1.138 18019
583 1 5 . 1 1 19 19 CYS N N 19 122.166 122.166 118.401 3.765 18019
584 1 5 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.723 -0.004 18019
585 1 5 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.471 -2.977 18019
586 1 5 . 1 1 19 19 CYS CB C 19 38.212 38.212 28.884 9.329 18019
587 1 5 . 1 1 19 19 CYS H H 19 8.132 8.132 7.550 0.582 18019
588 1 5 . 1 1 20 20 CYS N N 20 123.615 123.615 122.062 1.553 18019
589 1 5 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.512 -0.110 18019
590 1 5 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.313 -5.012 18019
591 1 5 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.658 10.021 18019
592 1 5 . 1 1 20 20 CYS H H 20 10.015 10.015 8.701 1.314 18019
593 1 5 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.023 -0.137 18019
594 1 5 . 1 1 21 21 ILE CA C 21 62.705 62.705 63.246 -0.541 18019
595 1 5 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.636 -1.181 18019
596 1 5 . 1 1 21 21 ILE H H 21 8.097 8.097 8.632 -0.535 18019
597 1 5 . 1 1 22 22 GLY N N 22 114.980 114.980 114.898 0.082 18019
598 1 5 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.240 -0.818 18019
599 1 5 . 1 1 22 22 GLY H H 22 8.717 8.717 8.555 0.162 18019
600 1 5 . 1 1 23 23 LEU N N 23 120.903 120.903 118.413 2.490 18019
601 1 5 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.038 -0.061 18019
602 1 5 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.289 -0.035 18019
603 1 5 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.196 -1.989 18019
604 1 5 . 1 1 23 23 LEU H H 23 8.066 8.066 7.367 0.699 18019
605 1 5 . 1 1 24 24 GLN N N 24 118.630 118.630 117.576 1.054 18019
606 1 5 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.631 -0.099 18019
607 1 5 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.823 -1.077 18019
608 1 5 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.277 -0.834 18019
609 1 5 . 1 1 24 24 GLN H H 24 9.483 9.483 8.789 0.694 18019
610 1 5 . 1 1 25 25 CYS N N 25 125.114 125.114 125.254 -0.140 18019
611 1 5 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.282 -0.548 18019
612 1 5 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.255 14.143 18019
613 1 5 . 1 1 25 25 CYS H H 25 8.865 8.865 8.890 -0.025 18019
614 1 5 . 1 1 26 26 ARG N N 26 133.389 133.389 127.969 5.420 18019
615 1 5 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.483 -0.093 18019
616 1 5 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.605 0.390 18019
617 1 5 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.672 -1.159 18019
618 1 5 . 1 1 26 26 ARG H H 26 9.517 9.517 9.216 0.301 18019
619 1 5 . 1 1 27 27 TYR N N 27 122.855 122.855 119.019 3.836 18019
620 1 5 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.246 -0.091 18019
621 1 5 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.432 -0.512 18019
622 1 5 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.343 0.107 18019
623 1 5 . 1 1 27 27 TYR H H 27 8.949 8.949 8.497 0.452 18019
624 1 5 . 1 1 28 28 GLY N N 28 102.916 102.916 103.353 -0.437 18019
625 1 5 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.312 0.658 18019
626 1 5 . 1 1 28 28 GLY H H 28 8.327 8.327 8.733 -0.406 18019
627 1 5 . 1 1 29 29 LYS N N 29 122.470 122.470 118.186 4.284 18019
628 1 5 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.693 0.389 18019
629 1 5 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.873 -0.158 18019
630 1 5 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.944 0.101 18019
631 1 5 . 1 1 29 29 LYS H H 29 7.926 7.926 7.613 0.313 18019
632 1 5 . 1 1 30 30 CYS N N 30 119.755 119.755 119.645 0.110 18019
633 1 5 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.638 -0.793 18019
634 1 5 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.567 -3.075 18019
635 1 5 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.686 11.423 18019
636 1 5 . 1 1 30 30 CYS H H 30 8.812 8.812 8.261 0.551 18019
637 1 5 . 1 1 31 31 LEU N N 31 127.374 127.374 123.149 4.225 18019
638 1 5 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.991 -0.158 18019
639 1 5 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.483 1.509 18019
640 1 5 . 1 1 31 31 LEU H H 31 9.161 9.161 9.158 0.003 18019
641 1 5 . 1 1 32 32 VAL N N 32 119.330 119.330 119.958 -0.628 18019
642 1 5 . 1 1 32 32 VAL HA H 32 3.922 3.922 3.966 -0.044 18019
643 1 5 . 1 1 32 32 VAL CA C 32 64.622 64.622 62.143 2.479 18019
644 1 5 . 1 1 32 32 VAL CB C 32 32.244 32.244 32.051 0.193 18019
645 1 5 . 1 1 32 32 VAL H H 32 8.105 8.105 8.278 -0.173 18019
646 1 6 . 1 1 2 2 CYS N N 2 117.089 117.089 116.083 1.006 18019
647 1 6 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.719 0.149 18019
648 1 6 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.820 -3.851 18019
649 1 6 . 1 1 2 2 CYS H H 2 8.734 8.734 7.803 0.931 18019
650 1 6 . 1 1 3 3 GLY N N 3 106.623 106.623 107.419 -0.796 18019
651 1 6 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.041 2.382 18019
652 1 6 . 1 1 3 3 GLY H H 3 9.036 9.036 8.179 0.857 18019
653 1 6 . 1 1 4 4 HIS N N 4 126.621 126.621 116.392 10.229 18019
654 1 6 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.499 -0.170 18019
655 1 6 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.792 -0.375 18019
656 1 6 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.018 -3.105 18019
657 1 6 . 1 1 4 4 HIS H H 4 9.430 9.430 7.568 1.862 18019
658 1 6 . 1 1 5 5 LEU N N 5 121.401 121.401 119.428 1.973 18019
659 1 6 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.122 -0.372 18019
660 1 6 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.702 0.845 18019
661 1 6 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.374 -0.919 18019
662 1 6 . 1 1 5 5 LEU H H 5 8.382 8.382 8.303 0.079 18019
663 1 6 . 1 1 6 6 HIS N N 6 116.370 116.370 113.218 3.152 18019
664 1 6 . 1 1 6 6 HIS HA H 6 3.952 3.952 5.036 -1.084 18019
665 1 6 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.171 4.358 18019
666 1 6 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.608 -1.810 18019
667 1 6 . 1 1 6 6 HIS H H 6 9.611 9.611 8.054 1.557 18019
668 1 6 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.967 -0.013 18019
669 1 6 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.128 1.218 18019
670 1 6 . 1 1 7 7 ASP H H 7 8.793 8.793 7.450 1.343 18019
671 1 6 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.474 0.456 18019
672 1 6 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.717 -0.334 18019
673 1 6 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.773 0.273 18019
674 1 6 . 1 1 9 9 CYS N N 9 116.579 116.579 115.258 1.321 18019
675 1 6 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.261 -0.055 18019
676 1 6 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.230 -1.680 18019
677 1 6 . 1 1 9 9 CYS CB C 9 43.049 43.049 26.711 16.338 18019
678 1 6 . 1 1 9 9 CYS H H 9 8.235 8.235 8.321 -0.086 18019
679 1 6 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.316 0.082 18019
680 1 6 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.450 0.267 18019
681 1 6 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.114 -0.233 18019
682 1 6 . 1 1 11 11 ASN N N 11 116.436 116.436 117.603 -1.167 18019
683 1 6 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.723 0.211 18019
684 1 6 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.670 -0.287 18019
685 1 6 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.281 0.688 18019
686 1 6 . 1 1 11 11 ASN H H 11 8.901 8.901 8.189 0.712 18019
687 1 6 . 1 1 12 12 ASP N N 12 121.980 121.980 121.401 0.579 18019
688 1 6 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.497 0.513 18019
689 1 6 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.689 0.596 18019
690 1 6 . 1 1 12 12 ASP CB C 12 44.965 44.965 40.981 3.984 18019
691 1 6 . 1 1 12 12 ASP H H 12 7.045 7.045 7.569 -0.524 18019
692 1 6 . 1 1 13 13 ARG N N 13 124.183 124.183 123.438 0.745 18019
693 1 6 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.873 -0.036 18019
694 1 6 . 1 1 13 13 ARG H H 13 8.214 8.214 7.821 0.393 18019
695 1 6 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.385 -0.178 18019
696 1 6 . 1 1 14 14 PRO CA C 14 64.848 64.848 64.013 0.835 18019
697 1 6 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.305 0.723 18019
698 1 6 . 1 1 15 15 GLY N N 15 113.652 113.652 113.123 0.529 18019
699 1 6 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.923 0.313 18019
700 1 6 . 1 1 15 15 GLY H H 15 8.932 8.932 8.757 0.175 18019
701 1 6 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.714 -0.075 18019
702 1 6 . 1 1 16 16 HIS CA C 16 55.195 55.195 56.293 -1.098 18019
703 1 6 . 1 1 16 16 HIS CB C 16 28.287 28.287 30.616 -2.329 18019
704 1 6 . 1 1 16 16 HIS H H 16 8.764 8.764 7.838 0.926 18019
705 1 6 . 1 1 17 17 ARG N N 17 123.881 123.881 124.694 -0.813 18019
706 1 6 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.624 0.104 18019
707 1 6 . 1 1 17 17 ARG H H 17 8.632 8.632 8.284 0.348 18019
708 1 6 . 1 1 18 18 THR N N 18 114.176 114.176 111.128 3.048 18019
709 1 6 . 1 1 18 18 THR HA H 18 4.496 4.496 4.350 0.146 18019
710 1 6 . 1 1 18 18 THR CA C 18 62.491 62.491 61.603 0.888 18019
711 1 6 . 1 1 18 18 THR H H 18 9.527 9.527 8.306 1.221 18019
712 1 6 . 1 1 19 19 CYS N N 19 122.166 122.166 118.478 3.688 18019
713 1 6 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.721 -0.002 18019
714 1 6 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.395 -2.901 18019
715 1 6 . 1 1 19 19 CYS CB C 19 38.212 38.212 28.948 9.264 18019
716 1 6 . 1 1 19 19 CYS H H 19 8.132 8.132 7.529 0.603 18019
717 1 6 . 1 1 20 20 CYS N N 20 123.615 123.615 122.057 1.558 18019
718 1 6 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.499 -0.097 18019
719 1 6 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.304 -5.003 18019
720 1 6 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.660 10.019 18019
721 1 6 . 1 1 20 20 CYS H H 20 10.015 10.015 8.696 1.319 18019
722 1 6 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.011 -0.125 18019
723 1 6 . 1 1 21 21 ILE CA C 21 62.705 62.705 63.243 -0.538 18019
724 1 6 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.619 -1.164 18019
725 1 6 . 1 1 21 21 ILE H H 21 8.097 8.097 8.621 -0.524 18019
726 1 6 . 1 1 22 22 GLY N N 22 114.980 114.980 114.915 0.065 18019
727 1 6 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.223 -0.801 18019
728 1 6 . 1 1 22 22 GLY H H 22 8.717 8.717 8.547 0.170 18019
729 1 6 . 1 1 23 23 LEU N N 23 120.903 120.903 118.364 2.539 18019
730 1 6 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.040 -0.063 18019
731 1 6 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.257 -0.003 18019
732 1 6 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.196 -1.989 18019
733 1 6 . 1 1 23 23 LEU H H 23 8.066 8.066 7.371 0.695 18019
734 1 6 . 1 1 24 24 GLN N N 24 118.630 118.630 117.810 0.820 18019
735 1 6 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.617 -0.085 18019
736 1 6 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.864 -1.118 18019
737 1 6 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.418 -0.975 18019
738 1 6 . 1 1 24 24 GLN H H 24 9.483 9.483 8.723 0.760 18019
739 1 6 . 1 1 25 25 CYS N N 25 125.114 125.114 125.160 -0.046 18019
740 1 6 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.278 -0.544 18019
741 1 6 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.079 14.319 18019
742 1 6 . 1 1 25 25 CYS H H 25 8.865 8.865 8.860 0.005 18019
743 1 6 . 1 1 26 26 ARG N N 26 133.389 133.389 128.078 5.311 18019
744 1 6 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.453 -0.063 18019
745 1 6 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.392 0.603 18019
746 1 6 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.872 -1.359 18019
747 1 6 . 1 1 26 26 ARG H H 26 9.517 9.517 9.249 0.268 18019
748 1 6 . 1 1 27 27 TYR N N 27 122.855 122.855 119.029 3.826 18019
749 1 6 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.195 -0.040 18019
750 1 6 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.176 -0.256 18019
751 1 6 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.422 0.028 18019
752 1 6 . 1 1 27 27 TYR H H 27 8.949 8.949 8.828 0.121 18019
753 1 6 . 1 1 28 28 GLY N N 28 102.916 102.916 103.496 -0.580 18019
754 1 6 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.465 0.506 18019
755 1 6 . 1 1 28 28 GLY H H 28 8.327 8.327 8.787 -0.460 18019
756 1 6 . 1 1 29 29 LYS N N 29 122.470 122.470 118.176 4.294 18019
757 1 6 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.697 0.385 18019
758 1 6 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.879 -0.164 18019
759 1 6 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.949 0.096 18019
760 1 6 . 1 1 29 29 LYS H H 29 7.926 7.926 7.616 0.310 18019
761 1 6 . 1 1 30 30 CYS N N 30 119.755 119.755 119.649 0.106 18019
762 1 6 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.638 -0.793 18019
763 1 6 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.570 -3.078 18019
764 1 6 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.690 11.419 18019
765 1 6 . 1 1 30 30 CYS H H 30 8.812 8.812 8.263 0.549 18019
766 1 6 . 1 1 31 31 LEU N N 31 127.374 127.374 123.140 4.234 18019
767 1 6 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.991 -0.158 18019
768 1 6 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.485 1.507 18019
769 1 6 . 1 1 31 31 LEU H H 31 9.161 9.161 9.158 0.003 18019
770 1 6 . 1 1 32 32 VAL N N 32 119.330 119.330 120.100 -0.770 18019
771 1 6 . 1 1 32 32 VAL HA H 32 3.922 3.922 3.984 -0.062 18019
772 1 6 . 1 1 32 32 VAL CA C 32 64.622 64.622 62.114 2.508 18019
773 1 6 . 1 1 32 32 VAL CB C 32 32.244 32.244 32.165 0.079 18019
774 1 6 . 1 1 32 32 VAL H H 32 8.105 8.105 8.290 -0.185 18019
775 1 7 . 1 1 2 2 CYS N N 2 117.089 117.089 117.026 0.063 18019
776 1 7 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.807 0.061 18019
777 1 7 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.544 -3.575 18019
778 1 7 . 1 1 2 2 CYS H H 2 8.734 8.734 7.974 0.760 18019
779 1 7 . 1 1 3 3 GLY N N 3 106.623 106.623 107.423 -0.800 18019
780 1 7 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.041 2.382 18019
781 1 7 . 1 1 3 3 GLY H H 3 9.036 9.036 8.183 0.853 18019
782 1 7 . 1 1 4 4 HIS N N 4 126.621 126.621 116.396 10.225 18019
783 1 7 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.498 -0.169 18019
784 1 7 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.797 -0.380 18019
785 1 7 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.007 -3.094 18019
786 1 7 . 1 1 4 4 HIS H H 4 9.430 9.430 7.568 1.862 18019
787 1 7 . 1 1 5 5 LEU N N 5 121.401 121.401 119.426 1.975 18019
788 1 7 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.122 -0.372 18019
789 1 7 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.702 0.845 18019
790 1 7 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.373 -0.918 18019
791 1 7 . 1 1 5 5 LEU H H 5 8.382 8.382 8.302 0.080 18019
792 1 7 . 1 1 6 6 HIS N N 6 116.370 116.370 113.223 3.147 18019
793 1 7 . 1 1 6 6 HIS HA H 6 3.952 3.952 5.035 -1.083 18019
794 1 7 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.175 4.354 18019
795 1 7 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.606 -1.808 18019
796 1 7 . 1 1 6 6 HIS H H 6 9.611 9.611 8.054 1.557 18019
797 1 7 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.966 -0.012 18019
798 1 7 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.132 1.214 18019
799 1 7 . 1 1 7 7 ASP H H 7 8.793 8.793 7.450 1.343 18019
800 1 7 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.504 0.426 18019
801 1 7 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.740 -0.358 18019
802 1 7 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.575 0.471 18019
803 1 7 . 1 1 9 9 CYS N N 9 116.579 116.579 115.472 1.107 18019
804 1 7 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.269 -0.063 18019
805 1 7 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.433 -1.883 18019
806 1 7 . 1 1 9 9 CYS CB C 9 43.049 43.049 26.994 16.055 18019
807 1 7 . 1 1 9 9 CYS H H 9 8.235 8.235 8.522 -0.287 18019
808 1 7 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.327 0.071 18019
809 1 7 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.533 0.184 18019
810 1 7 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.099 -0.218 18019
811 1 7 . 1 1 11 11 ASN N N 11 116.436 116.436 118.141 -1.705 18019
812 1 7 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.782 0.152 18019
813 1 7 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.588 -0.205 18019
814 1 7 . 1 1 11 11 ASN CB C 11 38.969 38.969 37.945 1.024 18019
815 1 7 . 1 1 11 11 ASN H H 11 8.901 8.901 8.296 0.605 18019
816 1 7 . 1 1 12 12 ASP N N 12 121.980 121.980 120.954 1.026 18019
817 1 7 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.496 0.514 18019
818 1 7 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.870 0.415 18019
819 1 7 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.170 3.795 18019
820 1 7 . 1 1 12 12 ASP H H 12 7.045 7.045 7.555 -0.510 18019
821 1 7 . 1 1 13 13 ARG N N 13 124.183 124.183 123.451 0.732 18019
822 1 7 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.877 -0.040 18019
823 1 7 . 1 1 13 13 ARG H H 13 8.214 8.214 7.852 0.362 18019
824 1 7 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.373 -0.166 18019
825 1 7 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.874 0.974 18019
826 1 7 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.311 0.717 18019
827 1 7 . 1 1 15 15 GLY N N 15 113.652 113.652 113.160 0.492 18019
828 1 7 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.920 0.316 18019
829 1 7 . 1 1 15 15 GLY H H 15 8.932 8.932 8.767 0.165 18019
830 1 7 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.712 -0.073 18019
831 1 7 . 1 1 16 16 HIS CA C 16 55.195 55.195 56.289 -1.094 18019
832 1 7 . 1 1 16 16 HIS CB C 16 28.287 28.287 30.598 -2.311 18019
833 1 7 . 1 1 16 16 HIS H H 16 8.764 8.764 7.838 0.926 18019
834 1 7 . 1 1 17 17 ARG N N 17 123.881 123.881 125.453 -1.572 18019
835 1 7 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.638 0.090 18019
836 1 7 . 1 1 17 17 ARG H H 17 8.632 8.632 8.167 0.465 18019
837 1 7 . 1 1 18 18 THR N N 18 114.176 114.176 111.877 2.299 18019
838 1 7 . 1 1 18 18 THR HA H 18 4.496 4.496 4.337 0.159 18019
839 1 7 . 1 1 18 18 THR CA C 18 62.491 62.491 61.736 0.755 18019
840 1 7 . 1 1 18 18 THR H H 18 9.527 9.527 8.447 1.080 18019
841 1 7 . 1 1 19 19 CYS N N 19 122.166 122.166 118.403 3.763 18019
842 1 7 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.702 0.017 18019
843 1 7 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.619 -3.125 18019
844 1 7 . 1 1 19 19 CYS CB C 19 38.212 38.212 29.297 8.915 18019
845 1 7 . 1 1 19 19 CYS H H 19 8.132 8.132 7.586 0.546 18019
846 1 7 . 1 1 20 20 CYS N N 20 123.615 123.615 122.027 1.588 18019
847 1 7 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.497 -0.095 18019
848 1 7 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.358 -5.057 18019
849 1 7 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.657 10.022 18019
850 1 7 . 1 1 20 20 CYS H H 20 10.015 10.015 8.696 1.319 18019
851 1 7 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.012 -0.126 18019
852 1 7 . 1 1 21 21 ILE CA C 21 62.705 62.705 63.288 -0.583 18019
853 1 7 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.641 -1.186 18019
854 1 7 . 1 1 21 21 ILE H H 21 8.097 8.097 8.615 -0.518 18019
855 1 7 . 1 1 22 22 GLY N N 22 114.980 114.980 114.895 0.085 18019
856 1 7 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.240 -0.818 18019
857 1 7 . 1 1 22 22 GLY H H 22 8.717 8.717 8.543 0.174 18019
858 1 7 . 1 1 23 23 LEU N N 23 120.903 120.903 118.315 2.588 18019
859 1 7 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.044 -0.067 18019
860 1 7 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.253 0.001 18019
861 1 7 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.257 -2.050 18019
862 1 7 . 1 1 23 23 LEU H H 23 8.066 8.066 7.374 0.692 18019
863 1 7 . 1 1 24 24 GLN N N 24 118.630 118.630 117.719 0.911 18019
864 1 7 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.646 -0.114 18019
865 1 7 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.893 -1.147 18019
866 1 7 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.263 -0.820 18019
867 1 7 . 1 1 24 24 GLN H H 24 9.483 9.483 8.838 0.644 18019
868 1 7 . 1 1 25 25 CYS N N 25 125.114 125.114 125.258 -0.144 18019
869 1 7 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.286 -0.552 18019
870 1 7 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.247 14.151 18019
871 1 7 . 1 1 25 25 CYS H H 25 8.865 8.865 8.889 -0.024 18019
872 1 7 . 1 1 26 26 ARG N N 26 133.389 133.389 127.975 5.414 18019
873 1 7 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.485 -0.095 18019
874 1 7 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.594 0.401 18019
875 1 7 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.679 -1.166 18019
876 1 7 . 1 1 26 26 ARG H H 26 9.517 9.517 9.219 0.298 18019
877 1 7 . 1 1 27 27 TYR N N 27 122.855 122.855 118.881 3.974 18019
878 1 7 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.206 -0.051 18019
879 1 7 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.318 -0.398 18019
880 1 7 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.096 0.354 18019
881 1 7 . 1 1 27 27 TYR H H 27 8.949 8.949 8.799 0.150 18019
882 1 7 . 1 1 28 28 GLY N N 28 102.916 102.916 103.025 -0.109 18019
883 1 7 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.307 0.663 18019
884 1 7 . 1 1 28 28 GLY H H 28 8.327 8.327 8.693 -0.366 18019
885 1 7 . 1 1 29 29 LYS N N 29 122.470 122.470 118.190 4.280 18019
886 1 7 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.697 0.386 18019
887 1 7 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.889 -0.174 18019
888 1 7 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.947 0.098 18019
889 1 7 . 1 1 29 29 LYS H H 29 7.926 7.926 7.616 0.310 18019
890 1 7 . 1 1 30 30 CYS N N 30 119.755 119.755 119.639 0.116 18019
891 1 7 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.642 -0.797 18019
892 1 7 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.561 -3.069 18019
893 1 7 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.698 11.411 18019
894 1 7 . 1 1 30 30 CYS H H 30 8.812 8.812 8.263 0.549 18019
895 1 7 . 1 1 31 31 LEU N N 31 127.374 127.374 123.296 4.078 18019
896 1 7 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.982 -0.149 18019
897 1 7 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.302 1.690 18019
898 1 7 . 1 1 31 31 LEU H H 31 9.161 9.161 9.160 0.001 18019
899 1 7 . 1 1 32 32 VAL N N 32 119.330 119.330 119.888 -0.558 18019
900 1 7 . 1 1 32 32 VAL HA H 32 3.922 3.922 4.049 -0.127 18019
901 1 7 . 1 1 32 32 VAL CA C 32 64.622 64.622 60.995 3.627 18019
902 1 7 . 1 1 32 32 VAL CB C 32 32.244 32.244 31.673 0.571 18019
903 1 7 . 1 1 32 32 VAL H H 32 8.105 8.105 8.211 -0.106 18019
904 1 8 . 1 1 2 2 CYS N N 2 117.089 117.089 116.365 0.724 18019
905 1 8 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.766 0.102 18019
906 1 8 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.737 -3.768 18019
907 1 8 . 1 1 2 2 CYS H H 2 8.734 8.734 8.450 0.284 18019
908 1 8 . 1 1 3 3 GLY N N 3 106.623 106.623 107.436 -0.813 18019
909 1 8 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.028 2.396 18019
910 1 8 . 1 1 3 3 GLY H H 3 9.036 9.036 8.157 0.879 18019
911 1 8 . 1 1 4 4 HIS N N 4 126.621 126.621 116.400 10.221 18019
912 1 8 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.496 -0.167 18019
913 1 8 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.794 -0.376 18019
914 1 8 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.009 -3.096 18019
915 1 8 . 1 1 4 4 HIS H H 4 9.430 9.430 7.562 1.868 18019
916 1 8 . 1 1 5 5 LEU N N 5 121.401 121.401 119.427 1.974 18019
917 1 8 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.121 -0.371 18019
918 1 8 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.703 0.844 18019
919 1 8 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.373 -0.918 18019
920 1 8 . 1 1 5 5 LEU H H 5 8.382 8.382 8.301 0.081 18019
921 1 8 . 1 1 6 6 HIS N N 6 116.370 116.370 113.225 3.145 18019
922 1 8 . 1 1 6 6 HIS HA H 6 3.952 3.952 5.029 -1.077 18019
923 1 8 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.186 4.343 18019
924 1 8 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.601 -1.803 18019
925 1 8 . 1 1 6 6 HIS H H 6 9.611 9.611 8.055 1.556 18019
926 1 8 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.965 -0.011 18019
927 1 8 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.127 1.219 18019
928 1 8 . 1 1 7 7 ASP H H 7 8.793 8.793 7.449 1.344 18019
929 1 8 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.503 0.427 18019
930 1 8 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.711 -0.329 18019
931 1 8 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.642 0.404 18019
932 1 8 . 1 1 9 9 CYS N N 9 116.579 116.579 115.026 1.553 18019
933 1 8 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.223 -0.017 18019
934 1 8 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.379 -1.829 18019
935 1 8 . 1 1 9 9 CYS CB C 9 43.049 43.049 27.035 16.014 18019
936 1 8 . 1 1 9 9 CYS H H 9 8.235 8.235 8.429 -0.194 18019
937 1 8 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.319 0.079 18019
938 1 8 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.486 0.231 18019
939 1 8 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.104 -0.223 18019
940 1 8 . 1 1 11 11 ASN N N 11 116.436 116.436 117.359 -0.923 18019
941 1 8 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.723 0.211 18019
942 1 8 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.675 -0.292 18019
943 1 8 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.095 0.874 18019
944 1 8 . 1 1 11 11 ASN H H 11 8.901 8.901 8.210 0.691 18019
945 1 8 . 1 1 12 12 ASP N N 12 121.980 121.980 121.344 0.636 18019
946 1 8 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.466 0.544 18019
947 1 8 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.718 0.567 18019
948 1 8 . 1 1 12 12 ASP CB C 12 44.965 44.965 40.967 3.998 18019
949 1 8 . 1 1 12 12 ASP H H 12 7.045 7.045 7.584 -0.539 18019
950 1 8 . 1 1 13 13 ARG N N 13 124.183 124.183 123.565 0.618 18019
951 1 8 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.854 -0.017 18019
952 1 8 . 1 1 13 13 ARG H H 13 8.214 8.214 7.780 0.434 18019
953 1 8 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.371 -0.164 18019
954 1 8 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.849 0.999 18019
955 1 8 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.339 0.689 18019
956 1 8 . 1 1 15 15 GLY N N 15 113.652 113.652 113.107 0.545 18019
957 1 8 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.943 0.293 18019
958 1 8 . 1 1 15 15 GLY H H 15 8.932 8.932 8.750 0.182 18019
959 1 8 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.729 -0.090 18019
960 1 8 . 1 1 16 16 HIS CA C 16 55.195 55.195 56.184 -0.989 18019
961 1 8 . 1 1 16 16 HIS CB C 16 28.287 28.287 30.564 -2.277 18019
962 1 8 . 1 1 16 16 HIS H H 16 8.764 8.764 7.845 0.919 18019
963 1 8 . 1 1 17 17 ARG N N 17 123.881 123.881 125.297 -1.416 18019
964 1 8 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.630 0.098 18019
965 1 8 . 1 1 17 17 ARG H H 17 8.632 8.632 8.148 0.484 18019
966 1 8 . 1 1 18 18 THR N N 18 114.176 114.176 111.333 2.843 18019
967 1 8 . 1 1 18 18 THR HA H 18 4.496 4.496 4.311 0.185 18019
968 1 8 . 1 1 18 18 THR CA C 18 62.491 62.491 61.539 0.952 18019
969 1 8 . 1 1 18 18 THR H H 18 9.527 9.527 8.405 1.122 18019
970 1 8 . 1 1 19 19 CYS N N 19 122.166 122.166 118.396 3.770 18019
971 1 8 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.723 -0.004 18019
972 1 8 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.439 -2.945 18019
973 1 8 . 1 1 19 19 CYS CB C 19 38.212 38.212 28.910 9.302 18019
974 1 8 . 1 1 19 19 CYS H H 19 8.132 8.132 7.523 0.609 18019
975 1 8 . 1 1 20 20 CYS N N 20 123.615 123.615 122.019 1.596 18019
976 1 8 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.498 -0.096 18019
977 1 8 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.330 -5.029 18019
978 1 8 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.618 10.061 18019
979 1 8 . 1 1 20 20 CYS H H 20 10.015 10.015 8.693 1.322 18019
980 1 8 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.024 -0.138 18019
981 1 8 . 1 1 21 21 ILE CA C 21 62.705 62.705 63.211 -0.506 18019
982 1 8 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.646 -1.191 18019
983 1 8 . 1 1 21 21 ILE H H 21 8.097 8.097 8.623 -0.526 18019
984 1 8 . 1 1 22 22 GLY N N 22 114.980 114.980 114.867 0.113 18019
985 1 8 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.261 -0.839 18019
986 1 8 . 1 1 22 22 GLY H H 22 8.717 8.717 8.551 0.166 18019
987 1 8 . 1 1 23 23 LEU N N 23 120.903 120.903 118.238 2.665 18019
988 1 8 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.059 -0.082 18019
989 1 8 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.211 0.043 18019
990 1 8 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.270 -2.063 18019
991 1 8 . 1 1 23 23 LEU H H 23 8.066 8.066 7.403 0.663 18019
992 1 8 . 1 1 24 24 GLN N N 24 118.630 118.630 117.774 0.856 18019
993 1 8 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.634 -0.102 18019
994 1 8 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.916 -1.170 18019
995 1 8 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.244 -0.801 18019
996 1 8 . 1 1 24 24 GLN H H 24 9.483 9.483 8.884 0.599 18019
997 1 8 . 1 1 25 25 CYS N N 25 125.114 125.114 125.249 -0.135 18019
998 1 8 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.286 -0.552 18019
999 1 8 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.316 14.082 18019
1000 1 8 . 1 1 25 25 CYS H H 25 8.865 8.865 8.887 -0.022 18019
1001 1 8 . 1 1 26 26 ARG N N 26 133.389 133.389 127.387 6.002 18019
1002 1 8 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.417 -0.027 18019
1003 1 8 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.288 0.707 18019
1004 1 8 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.339 -0.826 18019
1005 1 8 . 1 1 26 26 ARG H H 26 9.517 9.517 9.223 0.294 18019
1006 1 8 . 1 1 27 27 TYR N N 27 122.855 122.855 118.926 3.929 18019
1007 1 8 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.209 -0.054 18019
1008 1 8 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.352 -0.433 18019
1009 1 8 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.060 0.390 18019
1010 1 8 . 1 1 27 27 TYR H H 27 8.949 8.949 8.791 0.158 18019
1011 1 8 . 1 1 28 28 GLY N N 28 102.916 102.916 102.947 -0.031 18019
1012 1 8 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.274 0.696 18019
1013 1 8 . 1 1 28 28 GLY H H 28 8.327 8.327 8.685 -0.358 18019
1014 1 8 . 1 1 29 29 LYS N N 29 122.470 122.470 118.187 4.283 18019
1015 1 8 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.695 0.387 18019
1016 1 8 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.891 -0.176 18019
1017 1 8 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.945 0.100 18019
1018 1 8 . 1 1 29 29 LYS H H 29 7.926 7.926 7.615 0.311 18019
1019 1 8 . 1 1 30 30 CYS N N 30 119.755 119.755 119.606 0.149 18019
1020 1 8 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.642 -0.797 18019
1021 1 8 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.552 -3.060 18019
1022 1 8 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.722 11.387 18019
1023 1 8 . 1 1 30 30 CYS H H 30 8.812 8.812 8.260 0.552 18019
1024 1 8 . 1 1 31 31 LEU N N 31 127.374 127.374 123.508 3.866 18019
1025 1 8 . 1 1 31 31 LEU HA H 31 4.833 4.833 5.011 -0.178 18019
1026 1 8 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.516 1.476 18019
1027 1 8 . 1 1 31 31 LEU H H 31 9.161 9.161 9.130 0.031 18019
1028 1 8 . 1 1 32 32 VAL N N 32 119.330 119.330 119.548 -0.218 18019
1029 1 8 . 1 1 32 32 VAL HA H 32 3.922 3.922 4.010 -0.088 18019
1030 1 8 . 1 1 32 32 VAL CA C 32 64.622 64.622 61.951 2.671 18019
1031 1 8 . 1 1 32 32 VAL CB C 32 32.244 32.244 32.321 -0.077 18019
1032 1 8 . 1 1 32 32 VAL H H 32 8.105 8.105 8.236 -0.131 18019
1033 1 9 . 1 1 2 2 CYS N N 2 117.089 117.089 116.198 0.891 18019
1034 1 9 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.767 0.101 18019
1035 1 9 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.912 -3.943 18019
1036 1 9 . 1 1 2 2 CYS H H 2 8.734 8.734 7.841 0.893 18019
1037 1 9 . 1 1 3 3 GLY N N 3 106.623 106.623 107.462 -0.839 18019
1038 1 9 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.086 2.337 18019
1039 1 9 . 1 1 3 3 GLY H H 3 9.036 9.036 8.216 0.820 18019
1040 1 9 . 1 1 4 4 HIS N N 4 126.621 126.621 116.397 10.224 18019
1041 1 9 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.509 -0.180 18019
1042 1 9 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.801 -0.384 18019
1043 1 9 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.021 -3.108 18019
1044 1 9 . 1 1 4 4 HIS H H 4 9.430 9.430 7.579 1.851 18019
1045 1 9 . 1 1 5 5 LEU N N 5 121.401 121.401 119.434 1.967 18019
1046 1 9 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.130 -0.380 18019
1047 1 9 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.708 0.839 18019
1048 1 9 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.379 -0.924 18019
1049 1 9 . 1 1 5 5 LEU H H 5 8.382 8.382 8.311 0.071 18019
1050 1 9 . 1 1 6 6 HIS N N 6 116.370 116.370 113.212 3.158 18019
1051 1 9 . 1 1 6 6 HIS HA H 6 3.952 3.952 5.040 -1.088 18019
1052 1 9 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.173 4.356 18019
1053 1 9 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.615 -1.817 18019
1054 1 9 . 1 1 6 6 HIS H H 6 9.611 9.611 8.058 1.553 18019
1055 1 9 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.971 -0.017 18019
1056 1 9 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.137 1.209 18019
1057 1 9 . 1 1 7 7 ASP H H 7 8.793 8.793 7.458 1.335 18019
1058 1 9 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.510 0.420 18019
1059 1 9 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.738 -0.356 18019
1060 1 9 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.610 0.436 18019
1061 1 9 . 1 1 9 9 CYS N N 9 116.579 116.579 115.308 1.271 18019
1062 1 9 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.268 -0.062 18019
1063 1 9 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.406 -1.856 18019
1064 1 9 . 1 1 9 9 CYS CB C 9 43.049 43.049 27.038 16.011 18019
1065 1 9 . 1 1 9 9 CYS H H 9 8.235 8.235 8.491 -0.256 18019
1066 1 9 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.320 0.078 18019
1067 1 9 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.479 0.238 18019
1068 1 9 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.105 -0.224 18019
1069 1 9 . 1 1 11 11 ASN N N 11 116.436 116.436 117.649 -1.213 18019
1070 1 9 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.731 0.203 18019
1071 1 9 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.732 -0.349 18019
1072 1 9 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.161 0.808 18019
1073 1 9 . 1 1 11 11 ASN H H 11 8.901 8.901 8.221 0.680 18019
1074 1 9 . 1 1 12 12 ASP N N 12 121.980 121.980 121.235 0.745 18019
1075 1 9 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.487 0.523 18019
1076 1 9 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.845 0.440 18019
1077 1 9 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.225 3.740 18019
1078 1 9 . 1 1 12 12 ASP H H 12 7.045 7.045 7.569 -0.524 18019
1079 1 9 . 1 1 13 13 ARG N N 13 124.183 124.183 123.468 0.715 18019
1080 1 9 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.878 -0.041 18019
1081 1 9 . 1 1 13 13 ARG H H 13 8.214 8.214 7.862 0.352 18019
1082 1 9 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.354 -0.147 18019
1083 1 9 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.859 0.989 18019
1084 1 9 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.303 0.725 18019
1085 1 9 . 1 1 15 15 GLY N N 15 113.652 113.652 112.948 0.704 18019
1086 1 9 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.899 0.337 18019
1087 1 9 . 1 1 15 15 GLY H H 15 8.932 8.932 8.646 0.286 18019
1088 1 9 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.723 -0.084 18019
1089 1 9 . 1 1 16 16 HIS CA C 16 55.195 55.195 55.969 -0.775 18019
1090 1 9 . 1 1 16 16 HIS CB C 16 28.287 28.287 31.184 -2.897 18019
1091 1 9 . 1 1 16 16 HIS H H 16 8.764 8.764 7.880 0.884 18019
1092 1 9 . 1 1 17 17 ARG N N 17 123.881 123.881 123.709 0.172 18019
1093 1 9 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.696 0.032 18019
1094 1 9 . 1 1 17 17 ARG H H 17 8.632 8.632 8.219 0.413 18019
1095 1 9 . 1 1 18 18 THR N N 18 114.176 114.176 110.879 3.297 18019
1096 1 9 . 1 1 18 18 THR HA H 18 4.496 4.496 4.407 0.089 18019
1097 1 9 . 1 1 18 18 THR CA C 18 62.491 62.491 62.040 0.451 18019
1098 1 9 . 1 1 18 18 THR H H 18 9.527 9.527 8.450 1.077 18019
1099 1 9 . 1 1 19 19 CYS N N 19 122.166 122.166 118.408 3.758 18019
1100 1 9 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.743 -0.024 18019
1101 1 9 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.722 -3.228 18019
1102 1 9 . 1 1 19 19 CYS CB C 19 38.212 38.212 28.823 9.389 18019
1103 1 9 . 1 1 19 19 CYS H H 19 8.132 8.132 7.607 0.525 18019
1104 1 9 . 1 1 20 20 CYS N N 20 123.615 123.615 122.034 1.581 18019
1105 1 9 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.535 -0.133 18019
1106 1 9 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.202 -4.901 18019
1107 1 9 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.654 10.025 18019
1108 1 9 . 1 1 20 20 CYS H H 20 10.015 10.015 8.715 1.300 18019
1109 1 9 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.030 -0.144 18019
1110 1 9 . 1 1 21 21 ILE CA C 21 62.705 62.705 63.147 -0.442 18019
1111 1 9 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.632 -1.177 18019
1112 1 9 . 1 1 21 21 ILE H H 21 8.097 8.097 8.648 -0.551 18019
1113 1 9 . 1 1 22 22 GLY N N 22 114.980 114.980 114.820 0.160 18019
1114 1 9 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.280 -0.858 18019
1115 1 9 . 1 1 22 22 GLY H H 22 8.717 8.717 8.560 0.157 18019
1116 1 9 . 1 1 23 23 LEU N N 23 120.903 120.903 118.443 2.460 18019
1117 1 9 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.045 -0.068 18019
1118 1 9 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.323 -0.069 18019
1119 1 9 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.240 -2.033 18019
1120 1 9 . 1 1 23 23 LEU H H 23 8.066 8.066 7.368 0.698 18019
1121 1 9 . 1 1 24 24 GLN N N 24 118.630 118.630 117.741 0.889 18019
1122 1 9 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.629 -0.097 18019
1123 1 9 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.768 -1.022 18019
1124 1 9 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.346 -0.903 18019
1125 1 9 . 1 1 24 24 GLN H H 24 9.483 9.483 8.804 0.679 18019
1126 1 9 . 1 1 25 25 CYS N N 25 125.114 125.114 125.225 -0.111 18019
1127 1 9 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.263 -0.529 18019
1128 1 9 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.024 14.374 18019
1129 1 9 . 1 1 25 25 CYS H H 25 8.865 8.865 8.893 -0.028 18019
1130 1 9 . 1 1 26 26 ARG N N 26 133.389 133.389 127.962 5.427 18019
1131 1 9 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.505 -0.115 18019
1132 1 9 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.359 0.636 18019
1133 1 9 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.252 -0.739 18019
1134 1 9 . 1 1 26 26 ARG H H 26 9.517 9.517 9.199 0.318 18019
1135 1 9 . 1 1 27 27 TYR N N 27 122.855 122.855 119.028 3.827 18019
1136 1 9 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.249 -0.094 18019
1137 1 9 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.435 -0.515 18019
1138 1 9 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.346 0.104 18019
1139 1 9 . 1 1 27 27 TYR H H 27 8.949 8.949 8.500 0.449 18019
1140 1 9 . 1 1 28 28 GLY N N 28 102.916 102.916 103.346 -0.430 18019
1141 1 9 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.319 0.651 18019
1142 1 9 . 1 1 28 28 GLY H H 28 8.327 8.327 8.738 -0.411 18019
1143 1 9 . 1 1 29 29 LYS N N 29 122.470 122.470 118.191 4.279 18019
1144 1 9 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.701 0.381 18019
1145 1 9 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.890 -0.175 18019
1146 1 9 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.954 0.091 18019
1147 1 9 . 1 1 29 29 LYS H H 29 7.926 7.926 7.619 0.307 18019
1148 1 9 . 1 1 30 30 CYS N N 30 119.755 119.755 119.678 0.077 18019
1149 1 9 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.648 -0.803 18019
1150 1 9 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.578 -3.086 18019
1151 1 9 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.690 11.419 18019
1152 1 9 . 1 1 30 30 CYS H H 30 8.812 8.812 8.270 0.542 18019
1153 1 9 . 1 1 31 31 LEU N N 31 127.374 127.374 123.618 3.756 18019
1154 1 9 . 1 1 31 31 LEU HA H 31 4.833 4.833 5.017 -0.184 18019
1155 1 9 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.524 1.468 18019
1156 1 9 . 1 1 31 31 LEU H H 31 9.161 9.161 9.143 0.018 18019
1157 1 9 . 1 1 32 32 VAL N N 32 119.330 119.330 119.536 -0.206 18019
1158 1 9 . 1 1 32 32 VAL HA H 32 3.922 3.922 4.006 -0.084 18019
1159 1 9 . 1 1 32 32 VAL CA C 32 64.622 64.622 61.974 2.648 18019
1160 1 9 . 1 1 32 32 VAL CB C 32 32.244 32.244 32.289 -0.045 18019
1161 1 9 . 1 1 32 32 VAL H H 32 8.105 8.105 8.235 -0.130 18019
1162 1 10 . 1 1 2 2 CYS N N 2 117.089 117.089 116.552 0.537 18019
1163 1 10 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.821 0.047 18019
1164 1 10 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.889 -3.920 18019
1165 1 10 . 1 1 2 2 CYS H H 2 8.734 8.734 8.384 0.350 18019
1166 1 10 . 1 1 3 3 GLY N N 3 106.623 106.623 107.462 -0.839 18019
1167 1 10 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.087 2.336 18019
1168 1 10 . 1 1 3 3 GLY H H 3 9.036 9.036 8.218 0.818 18019
1169 1 10 . 1 1 4 4 HIS N N 4 126.621 126.621 116.389 10.232 18019
1170 1 10 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.509 -0.180 18019
1171 1 10 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.794 -0.377 18019
1172 1 10 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.031 -3.118 18019
1173 1 10 . 1 1 4 4 HIS H H 4 9.430 9.430 7.585 1.845 18019
1174 1 10 . 1 1 5 5 LEU N N 5 121.401 121.401 119.431 1.970 18019
1175 1 10 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.130 -0.380 18019
1176 1 10 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.706 0.841 18019
1177 1 10 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.385 -0.929 18019
1178 1 10 . 1 1 5 5 LEU H H 5 8.382 8.382 8.309 0.073 18019
1179 1 10 . 1 1 6 6 HIS N N 6 116.370 116.370 112.634 3.736 18019
1180 1 10 . 1 1 6 6 HIS HA H 6 3.952 3.952 5.007 -1.055 18019
1181 1 10 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.650 3.879 18019
1182 1 10 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.323 -1.525 18019
1183 1 10 . 1 1 6 6 HIS H H 6 9.611 9.611 8.186 1.425 18019
1184 1 10 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.932 0.022 18019
1185 1 10 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.055 1.291 18019
1186 1 10 . 1 1 7 7 ASP H H 7 8.793 8.793 7.260 1.533 18019
1187 1 10 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.508 0.422 18019
1188 1 10 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.719 -0.337 18019
1189 1 10 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.663 0.383 18019
1190 1 10 . 1 1 9 9 CYS N N 9 116.579 116.579 114.836 1.743 18019
1191 1 10 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.232 -0.026 18019
1192 1 10 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.418 -1.868 18019
1193 1 10 . 1 1 9 9 CYS CB C 9 43.049 43.049 27.067 15.982 18019
1194 1 10 . 1 1 9 9 CYS H H 9 8.235 8.235 8.437 -0.202 18019
1195 1 10 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.324 0.074 18019
1196 1 10 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.516 0.202 18019
1197 1 10 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.099 -0.218 18019
1198 1 10 . 1 1 11 11 ASN N N 11 116.436 116.436 117.623 -1.187 18019
1199 1 10 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.733 0.201 18019
1200 1 10 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.705 -0.322 18019
1201 1 10 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.091 0.878 18019
1202 1 10 . 1 1 11 11 ASN H H 11 8.901 8.901 8.224 0.677 18019
1203 1 10 . 1 1 12 12 ASP N N 12 121.980 121.980 121.268 0.712 18019
1204 1 10 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.492 0.518 18019
1205 1 10 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.810 0.475 18019
1206 1 10 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.189 3.776 18019
1207 1 10 . 1 1 12 12 ASP H H 12 7.045 7.045 7.562 -0.517 18019
1208 1 10 . 1 1 13 13 ARG N N 13 124.183 124.183 123.454 0.729 18019
1209 1 10 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.878 -0.041 18019
1210 1 10 . 1 1 13 13 ARG H H 13 8.214 8.214 7.853 0.361 18019
1211 1 10 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.364 -0.157 18019
1212 1 10 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.902 0.946 18019
1213 1 10 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.311 0.717 18019
1214 1 10 . 1 1 15 15 GLY N N 15 113.652 113.652 112.899 0.753 18019
1215 1 10 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.947 0.289 18019
1216 1 10 . 1 1 15 15 GLY H H 15 8.932 8.932 8.659 0.273 18019
1217 1 10 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.708 -0.069 18019
1218 1 10 . 1 1 16 16 HIS CA C 16 55.195 55.195 56.060 -0.865 18019
1219 1 10 . 1 1 16 16 HIS CB C 16 28.287 28.287 31.352 -3.065 18019
1220 1 10 . 1 1 16 16 HIS H H 16 8.764 8.764 7.895 0.869 18019
1221 1 10 . 1 1 17 17 ARG N N 17 123.881 123.881 124.489 -0.608 18019
1222 1 10 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.655 0.073 18019
1223 1 10 . 1 1 17 17 ARG H H 17 8.632 8.632 8.274 0.358 18019
1224 1 10 . 1 1 18 18 THR N N 18 114.176 114.176 111.950 2.226 18019
1225 1 10 . 1 1 18 18 THR HA H 18 4.496 4.496 4.422 0.074 18019
1226 1 10 . 1 1 18 18 THR CA C 18 62.491 62.491 61.759 0.732 18019
1227 1 10 . 1 1 18 18 THR H H 18 9.527 9.527 8.479 1.048 18019
1228 1 10 . 1 1 19 19 CYS N N 19 122.166 122.166 118.432 3.734 18019
1229 1 10 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.729 -0.010 18019
1230 1 10 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.662 -3.168 18019
1231 1 10 . 1 1 19 19 CYS CB C 19 38.212 38.212 29.306 8.906 18019
1232 1 10 . 1 1 19 19 CYS H H 19 8.132 8.132 7.661 0.471 18019
1233 1 10 . 1 1 20 20 CYS N N 20 123.615 123.615 122.043 1.572 18019
1234 1 10 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.524 -0.122 18019
1235 1 10 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.274 -4.973 18019
1236 1 10 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.628 10.051 18019
1237 1 10 . 1 1 20 20 CYS H H 20 10.015 10.015 8.714 1.301 18019
1238 1 10 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.030 -0.144 18019
1239 1 10 . 1 1 21 21 ILE CA C 21 62.705 62.705 63.159 -0.454 18019
1240 1 10 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.656 -1.201 18019
1241 1 10 . 1 1 21 21 ILE H H 21 8.097 8.097 8.635 -0.538 18019
1242 1 10 . 1 1 22 22 GLY N N 22 114.980 114.980 114.792 0.188 18019
1243 1 10 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.295 -0.873 18019
1244 1 10 . 1 1 22 22 GLY H H 22 8.717 8.717 8.555 0.162 18019
1245 1 10 . 1 1 23 23 LEU N N 23 120.903 120.903 118.260 2.643 18019
1246 1 10 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.062 -0.085 18019
1247 1 10 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.250 0.004 18019
1248 1 10 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.284 -2.077 18019
1249 1 10 . 1 1 23 23 LEU H H 23 8.066 8.066 7.390 0.676 18019
1250 1 10 . 1 1 24 24 GLN N N 24 118.630 118.630 117.689 0.941 18019
1251 1 10 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.650 -0.118 18019
1252 1 10 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.884 -1.138 18019
1253 1 10 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.266 -0.823 18019
1254 1 10 . 1 1 24 24 GLN H H 24 9.483 9.483 8.855 0.628 18019
1255 1 10 . 1 1 25 25 CYS N N 25 125.114 125.114 125.218 -0.104 18019
1256 1 10 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.302 -0.568 18019
1257 1 10 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.208 14.190 18019
1258 1 10 . 1 1 25 25 CYS H H 25 8.865 8.865 8.891 -0.026 18019
1259 1 10 . 1 1 26 26 ARG N N 26 133.389 133.389 127.980 5.409 18019
1260 1 10 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.482 -0.092 18019
1261 1 10 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.550 0.445 18019
1262 1 10 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.741 -1.228 18019
1263 1 10 . 1 1 26 26 ARG H H 26 9.517 9.517 9.236 0.281 18019
1264 1 10 . 1 1 27 27 TYR N N 27 122.855 122.855 119.051 3.804 18019
1265 1 10 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.249 -0.094 18019
1266 1 10 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.434 -0.513 18019
1267 1 10 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.344 0.106 18019
1268 1 10 . 1 1 27 27 TYR H H 27 8.949 8.949 8.500 0.449 18019
1269 1 10 . 1 1 28 28 GLY N N 28 102.916 102.916 103.377 -0.461 18019
1270 1 10 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.310 0.660 18019
1271 1 10 . 1 1 28 28 GLY H H 28 8.327 8.327 8.737 -0.410 18019
1272 1 10 . 1 1 29 29 LYS N N 29 122.470 122.470 118.195 4.275 18019
1273 1 10 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.701 0.381 18019
1274 1 10 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.901 -0.186 18019
1275 1 10 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.944 0.101 18019
1276 1 10 . 1 1 29 29 LYS H H 29 7.926 7.926 7.617 0.309 18019
1277 1 10 . 1 1 30 30 CYS N N 30 119.755 119.755 119.567 0.188 18019
1278 1 10 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.658 -0.813 18019
1279 1 10 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.541 -3.049 18019
1280 1 10 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.747 11.362 18019
1281 1 10 . 1 1 30 30 CYS H H 30 8.812 8.812 8.266 0.546 18019
1282 1 10 . 1 1 31 31 LEU N N 31 127.374 127.374 123.210 4.164 18019
1283 1 10 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.984 -0.151 18019
1284 1 10 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.303 1.689 18019
1285 1 10 . 1 1 31 31 LEU H H 31 9.161 9.161 9.161 0.000 18019
1286 1 10 . 1 1 32 32 VAL N N 32 119.330 119.330 119.862 -0.532 18019
1287 1 10 . 1 1 32 32 VAL HA H 32 3.922 3.922 4.060 -0.138 18019
1288 1 10 . 1 1 32 32 VAL CA C 32 64.622 64.622 60.959 3.663 18019
1289 1 10 . 1 1 32 32 VAL CB C 32 32.244 32.244 31.671 0.573 18019
1290 1 10 . 1 1 32 32 VAL H H 32 8.105 8.105 8.211 -0.106 18019
1291 1 11 . 1 1 2 2 CYS N N 2 117.089 117.089 115.328 1.761 18019
1292 1 11 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.806 0.062 18019
1293 1 11 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.456 -3.486 18019
1294 1 11 . 1 1 2 2 CYS H H 2 8.734 8.734 8.014 0.720 18019
1295 1 11 . 1 1 3 3 GLY N N 3 106.623 106.623 107.454 -0.831 18019
1296 1 11 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.030 2.393 18019
1297 1 11 . 1 1 3 3 GLY H H 3 9.036 9.036 8.181 0.855 18019
1298 1 11 . 1 1 4 4 HIS N N 4 126.621 126.621 116.395 10.226 18019
1299 1 11 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.494 -0.165 18019
1300 1 11 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.783 -0.366 18019
1301 1 11 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.029 -3.116 18019
1302 1 11 . 1 1 4 4 HIS H H 4 9.430 9.430 7.573 1.857 18019
1303 1 11 . 1 1 5 5 LEU N N 5 121.401 121.401 119.415 1.986 18019
1304 1 11 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.122 -0.372 18019
1305 1 11 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.701 0.846 18019
1306 1 11 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.395 -0.940 18019
1307 1 11 . 1 1 5 5 LEU H H 5 8.382 8.382 8.298 0.084 18019
1308 1 11 . 1 1 6 6 HIS N N 6 116.370 116.370 113.248 3.122 18019
1309 1 11 . 1 1 6 6 HIS HA H 6 3.952 3.952 5.006 -1.054 18019
1310 1 11 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.290 4.239 18019
1311 1 11 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.589 -1.791 18019
1312 1 11 . 1 1 6 6 HIS H H 6 9.611 9.611 8.070 1.541 18019
1313 1 11 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.966 -0.012 18019
1314 1 11 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.102 1.244 18019
1315 1 11 . 1 1 7 7 ASP H H 7 8.793 8.793 7.444 1.349 18019
1316 1 11 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.465 0.465 18019
1317 1 11 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.714 -0.332 18019
1318 1 11 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.880 0.166 18019
1319 1 11 . 1 1 9 9 CYS N N 9 116.579 116.579 114.124 2.455 18019
1320 1 11 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.234 -0.028 18019
1321 1 11 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.398 -1.848 18019
1322 1 11 . 1 1 9 9 CYS CB C 9 43.049 43.049 26.744 16.305 18019
1323 1 11 . 1 1 9 9 CYS H H 9 8.235 8.235 8.235 -0.000 18019
1324 1 11 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.320 0.078 18019
1325 1 11 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.475 0.242 18019
1326 1 11 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.105 -0.224 18019
1327 1 11 . 1 1 11 11 ASN N N 11 116.436 116.436 118.129 -1.693 18019
1328 1 11 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.761 0.173 18019
1329 1 11 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.677 -0.294 18019
1330 1 11 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.196 0.773 18019
1331 1 11 . 1 1 11 11 ASN H H 11 8.901 8.901 8.279 0.622 18019
1332 1 11 . 1 1 12 12 ASP N N 12 121.980 121.980 121.325 0.655 18019
1333 1 11 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.516 0.494 18019
1334 1 11 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.815 0.471 18019
1335 1 11 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.068 3.897 18019
1336 1 11 . 1 1 12 12 ASP H H 12 7.045 7.045 7.597 -0.552 18019
1337 1 11 . 1 1 13 13 ARG N N 13 124.183 124.183 123.475 0.708 18019
1338 1 11 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.880 -0.043 18019
1339 1 11 . 1 1 13 13 ARG H H 13 8.214 8.214 7.841 0.373 18019
1340 1 11 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.376 -0.169 18019
1341 1 11 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.932 0.916 18019
1342 1 11 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.296 0.732 18019
1343 1 11 . 1 1 15 15 GLY N N 15 113.652 113.652 113.165 0.487 18019
1344 1 11 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.932 0.304 18019
1345 1 11 . 1 1 15 15 GLY H H 15 8.932 8.932 8.764 0.168 18019
1346 1 11 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.722 -0.083 18019
1347 1 11 . 1 1 16 16 HIS CA C 16 55.195 55.195 56.261 -1.066 18019
1348 1 11 . 1 1 16 16 HIS CB C 16 28.287 28.287 30.593 -2.306 18019
1349 1 11 . 1 1 16 16 HIS H H 16 8.764 8.764 7.841 0.923 18019
1350 1 11 . 1 1 17 17 ARG N N 17 123.881 123.881 125.159 -1.278 18019
1351 1 11 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.634 0.094 18019
1352 1 11 . 1 1 17 17 ARG H H 17 8.632 8.632 8.175 0.457 18019
1353 1 11 . 1 1 18 18 THR N N 18 114.176 114.176 111.880 2.296 18019
1354 1 11 . 1 1 18 18 THR HA H 18 4.496 4.496 4.328 0.168 18019
1355 1 11 . 1 1 18 18 THR CA C 18 62.491 62.491 61.692 0.799 18019
1356 1 11 . 1 1 18 18 THR H H 18 9.527 9.527 8.418 1.109 18019
1357 1 11 . 1 1 19 19 CYS N N 19 122.166 122.166 118.405 3.761 18019
1358 1 11 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.694 0.025 18019
1359 1 11 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.652 -3.158 18019
1360 1 11 . 1 1 19 19 CYS CB C 19 38.212 38.212 29.291 8.921 18019
1361 1 11 . 1 1 19 19 CYS H H 19 8.132 8.132 7.601 0.531 18019
1362 1 11 . 1 1 20 20 CYS N N 20 123.615 123.615 121.578 2.037 18019
1363 1 11 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.451 -0.049 18019
1364 1 11 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.601 -5.300 18019
1365 1 11 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.399 10.280 18019
1366 1 11 . 1 1 20 20 CYS H H 20 10.015 10.015 8.696 1.319 18019
1367 1 11 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.006 -0.120 18019
1368 1 11 . 1 1 21 21 ILE CA C 21 62.705 62.705 62.282 0.423 18019
1369 1 11 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.777 -1.322 18019
1370 1 11 . 1 1 21 21 ILE H H 21 8.097 8.097 8.552 -0.455 18019
1371 1 11 . 1 1 22 22 GLY N N 22 114.980 114.980 115.303 -0.323 18019
1372 1 11 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.274 -0.852 18019
1373 1 11 . 1 1 22 22 GLY H H 22 8.717 8.717 8.481 0.236 18019
1374 1 11 . 1 1 23 23 LEU N N 23 120.903 120.903 118.381 2.522 18019
1375 1 11 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.048 -0.071 18019
1376 1 11 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.347 -0.093 18019
1377 1 11 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.352 -2.145 18019
1378 1 11 . 1 1 23 23 LEU H H 23 8.066 8.066 7.394 0.672 18019
1379 1 11 . 1 1 24 24 GLN N N 24 118.630 118.630 118.247 0.383 18019
1380 1 11 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.575 -0.043 18019
1381 1 11 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.649 -0.903 18019
1382 1 11 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.497 -1.054 18019
1383 1 11 . 1 1 24 24 GLN H H 24 9.483 9.483 8.796 0.687 18019
1384 1 11 . 1 1 25 25 CYS N N 25 125.114 125.114 125.018 0.096 18019
1385 1 11 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.451 -0.717 18019
1386 1 11 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.255 14.143 18019
1387 1 11 . 1 1 25 25 CYS H H 25 8.865 8.865 8.860 0.005 18019
1388 1 11 . 1 1 26 26 ARG N N 26 133.389 133.389 127.930 5.459 18019
1389 1 11 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.483 -0.093 18019
1390 1 11 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.577 0.418 18019
1391 1 11 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.827 -1.314 18019
1392 1 11 . 1 1 26 26 ARG H H 26 9.517 9.517 9.093 0.424 18019
1393 1 11 . 1 1 27 27 TYR N N 27 122.855 122.855 118.915 3.940 18019
1394 1 11 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.193 -0.038 18019
1395 1 11 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.227 -0.307 18019
1396 1 11 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.385 0.065 18019
1397 1 11 . 1 1 27 27 TYR H H 27 8.949 8.949 8.819 0.130 18019
1398 1 11 . 1 1 28 28 GLY N N 28 102.916 102.916 103.260 -0.344 18019
1399 1 11 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.493 0.477 18019
1400 1 11 . 1 1 28 28 GLY H H 28 8.327 8.327 8.719 -0.392 18019
1401 1 11 . 1 1 29 29 LYS N N 29 122.470 122.470 118.285 4.185 18019
1402 1 11 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.702 0.380 18019
1403 1 11 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.845 -0.130 18019
1404 1 11 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.872 0.173 18019
1405 1 11 . 1 1 29 29 LYS H H 29 7.926 7.926 7.622 0.304 18019
1406 1 11 . 1 1 30 30 CYS N N 30 119.755 119.755 118.692 1.063 18019
1407 1 11 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.708 -0.863 18019
1408 1 11 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.194 -2.702 18019
1409 1 11 . 1 1 30 30 CYS CB C 30 39.109 39.109 28.218 10.891 18019
1410 1 11 . 1 1 30 30 CYS H H 30 8.812 8.812 8.243 0.569 18019
1411 1 11 . 1 1 31 31 LEU N N 31 127.374 127.374 122.509 4.865 18019
1412 1 11 . 1 1 31 31 LEU HA H 31 4.833 4.833 5.000 -0.167 18019
1413 1 11 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.446 1.546 18019
1414 1 11 . 1 1 31 31 LEU H H 31 9.161 9.161 9.143 0.018 18019
1415 1 11 . 1 1 32 32 VAL N N 32 119.330 119.330 120.155 -0.825 18019
1416 1 11 . 1 1 32 32 VAL HA H 32 3.922 3.922 3.990 -0.068 18019
1417 1 11 . 1 1 32 32 VAL CA C 32 64.622 64.622 62.007 2.615 18019
1418 1 11 . 1 1 32 32 VAL CB C 32 32.244 32.244 32.149 0.095 18019
1419 1 11 . 1 1 32 32 VAL H H 32 8.105 8.105 8.264 -0.159 18019
1420 1 12 . 1 1 2 2 CYS N N 2 117.089 117.089 116.446 0.643 18019
1421 1 12 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.815 0.053 18019
1422 1 12 . 1 1 2 2 CYS CA C 2 53.969 53.969 58.013 -4.044 18019
1423 1 12 . 1 1 2 2 CYS H H 2 8.734 8.734 8.431 0.303 18019
1424 1 12 . 1 1 3 3 GLY N N 3 106.623 106.623 107.431 -0.808 18019
1425 1 12 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.066 2.357 18019
1426 1 12 . 1 1 3 3 GLY H H 3 9.036 9.036 8.221 0.815 18019
1427 1 12 . 1 1 4 4 HIS N N 4 126.621 126.621 116.406 10.215 18019
1428 1 12 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.505 -0.176 18019
1429 1 12 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.794 -0.377 18019
1430 1 12 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.028 -3.115 18019
1431 1 12 . 1 1 4 4 HIS H H 4 9.430 9.430 7.579 1.851 18019
1432 1 12 . 1 1 5 5 LEU N N 5 121.401 121.401 119.423 1.978 18019
1433 1 12 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.131 -0.381 18019
1434 1 12 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.709 0.838 18019
1435 1 12 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.402 -0.947 18019
1436 1 12 . 1 1 5 5 LEU H H 5 8.382 8.382 8.305 0.077 18019
1437 1 12 . 1 1 6 6 HIS N N 6 116.370 116.370 113.252 3.118 18019
1438 1 12 . 1 1 6 6 HIS HA H 6 3.952 3.952 5.012 -1.060 18019
1439 1 12 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.288 4.242 18019
1440 1 12 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.591 -1.793 18019
1441 1 12 . 1 1 6 6 HIS H H 6 9.611 9.611 8.074 1.537 18019
1442 1 12 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.971 -0.017 18019
1443 1 12 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.108 1.238 18019
1444 1 12 . 1 1 7 7 ASP H H 7 8.793 8.793 7.453 1.340 18019
1445 1 12 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.497 0.433 18019
1446 1 12 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.721 -0.339 18019
1447 1 12 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.686 0.360 18019
1448 1 12 . 1 1 9 9 CYS N N 9 116.579 116.579 114.215 2.364 18019
1449 1 12 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.234 -0.028 18019
1450 1 12 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.636 -2.086 18019
1451 1 12 . 1 1 9 9 CYS CB C 9 43.049 43.049 26.989 16.060 18019
1452 1 12 . 1 1 9 9 CYS H H 9 8.235 8.235 8.436 -0.201 18019
1453 1 12 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.362 0.036 18019
1454 1 12 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.212 0.505 18019
1455 1 12 . 1 1 10 10 PRO CB C 10 31.881 31.881 31.936 -0.055 18019
1456 1 12 . 1 1 11 11 ASN N N 11 116.436 116.436 117.994 -1.558 18019
1457 1 12 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.732 0.202 18019
1458 1 12 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.904 -0.521 18019
1459 1 12 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.248 0.721 18019
1460 1 12 . 1 1 11 11 ASN H H 11 8.901 8.901 8.101 0.800 18019
1461 1 12 . 1 1 12 12 ASP N N 12 121.980 121.980 121.170 0.810 18019
1462 1 12 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.462 0.548 18019
1463 1 12 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.866 0.419 18019
1464 1 12 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.032 3.933 18019
1465 1 12 . 1 1 12 12 ASP H H 12 7.045 7.045 7.514 -0.469 18019
1466 1 12 . 1 1 13 13 ARG N N 13 124.183 124.183 124.815 -0.632 18019
1467 1 12 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.805 0.032 18019
1468 1 12 . 1 1 13 13 ARG H H 13 8.214 8.214 7.789 0.425 18019
1469 1 12 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.350 -0.143 18019
1470 1 12 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.944 0.904 18019
1471 1 12 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.277 0.750 18019
1472 1 12 . 1 1 15 15 GLY N N 15 113.652 113.652 113.001 0.651 18019
1473 1 12 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.891 0.345 18019
1474 1 12 . 1 1 15 15 GLY H H 15 8.932 8.932 8.640 0.292 18019
1475 1 12 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.740 -0.101 18019
1476 1 12 . 1 1 16 16 HIS CA C 16 55.195 55.195 55.866 -0.671 18019
1477 1 12 . 1 1 16 16 HIS CB C 16 28.287 28.287 31.182 -2.895 18019
1478 1 12 . 1 1 16 16 HIS H H 16 8.764 8.764 7.873 0.891 18019
1479 1 12 . 1 1 17 17 ARG N N 17 123.881 123.881 123.531 0.350 18019
1480 1 12 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.695 0.033 18019
1481 1 12 . 1 1 17 17 ARG H H 17 8.632 8.632 8.376 0.256 18019
1482 1 12 . 1 1 18 18 THR N N 18 114.176 114.176 110.700 3.476 18019
1483 1 12 . 1 1 18 18 THR HA H 18 4.496 4.496 4.403 0.093 18019
1484 1 12 . 1 1 18 18 THR CA C 18 62.491 62.491 62.007 0.484 18019
1485 1 12 . 1 1 18 18 THR H H 18 9.527 9.527 8.318 1.209 18019
1486 1 12 . 1 1 19 19 CYS N N 19 122.166 122.166 118.441 3.725 18019
1487 1 12 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.735 -0.016 18019
1488 1 12 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.772 -3.278 18019
1489 1 12 . 1 1 19 19 CYS CB C 19 38.212 38.212 28.812 9.400 18019
1490 1 12 . 1 1 19 19 CYS H H 19 8.132 8.132 7.618 0.514 18019
1491 1 12 . 1 1 20 20 CYS N N 20 123.615 123.615 122.037 1.578 18019
1492 1 12 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.520 -0.118 18019
1493 1 12 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.274 -4.973 18019
1494 1 12 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.523 10.156 18019
1495 1 12 . 1 1 20 20 CYS H H 20 10.015 10.015 8.711 1.304 18019
1496 1 12 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.009 -0.123 18019
1497 1 12 . 1 1 21 21 ILE CA C 21 62.705 62.705 62.666 0.039 18019
1498 1 12 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.791 -1.336 18019
1499 1 12 . 1 1 21 21 ILE H H 21 8.097 8.097 8.607 -0.510 18019
1500 1 12 . 1 1 22 22 GLY N N 22 114.980 114.980 114.684 0.296 18019
1501 1 12 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.258 -0.836 18019
1502 1 12 . 1 1 22 22 GLY H H 22 8.717 8.717 8.541 0.176 18019
1503 1 12 . 1 1 23 23 LEU N N 23 120.903 120.903 118.403 2.500 18019
1504 1 12 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.070 -0.093 18019
1505 1 12 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.312 -0.058 18019
1506 1 12 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.202 -1.995 18019
1507 1 12 . 1 1 23 23 LEU H H 23 8.066 8.066 7.418 0.648 18019
1508 1 12 . 1 1 24 24 GLN N N 24 118.630 118.630 118.416 0.214 18019
1509 1 12 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.559 -0.027 18019
1510 1 12 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.665 -0.919 18019
1511 1 12 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.514 -1.071 18019
1512 1 12 . 1 1 24 24 GLN H H 24 9.483 9.483 8.886 0.597 18019
1513 1 12 . 1 1 25 25 CYS N N 25 125.114 125.114 125.255 -0.141 18019
1514 1 12 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.380 -0.646 18019
1515 1 12 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.125 14.273 18019
1516 1 12 . 1 1 25 25 CYS H H 25 8.865 8.865 8.868 -0.003 18019
1517 1 12 . 1 1 26 26 ARG N N 26 133.389 133.389 127.412 5.977 18019
1518 1 12 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.479 -0.089 18019
1519 1 12 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.203 0.792 18019
1520 1 12 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.517 -1.004 18019
1521 1 12 . 1 1 26 26 ARG H H 26 9.517 9.517 9.084 0.433 18019
1522 1 12 . 1 1 27 27 TYR N N 27 122.855 122.855 119.144 3.711 18019
1523 1 12 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.250 -0.095 18019
1524 1 12 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.452 -0.532 18019
1525 1 12 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.388 0.062 18019
1526 1 12 . 1 1 27 27 TYR H H 27 8.949 8.949 8.515 0.434 18019
1527 1 12 . 1 1 28 28 GLY N N 28 102.916 102.916 103.192 -0.276 18019
1528 1 12 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.332 0.638 18019
1529 1 12 . 1 1 28 28 GLY H H 28 8.327 8.327 8.746 -0.419 18019
1530 1 12 . 1 1 29 29 LYS N N 29 122.470 122.470 118.287 4.183 18019
1531 1 12 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.707 0.375 18019
1532 1 12 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.819 -0.104 18019
1533 1 12 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.875 0.170 18019
1534 1 12 . 1 1 29 29 LYS H H 29 7.926 7.926 7.629 0.297 18019
1535 1 12 . 1 1 30 30 CYS N N 30 119.755 119.755 118.680 1.075 18019
1536 1 12 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.717 -0.872 18019
1537 1 12 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.196 -2.704 18019
1538 1 12 . 1 1 30 30 CYS CB C 30 39.109 39.109 28.234 10.875 18019
1539 1 12 . 1 1 30 30 CYS H H 30 8.812 8.812 8.253 0.559 18019
1540 1 12 . 1 1 31 31 LEU N N 31 127.374 127.374 123.022 4.352 18019
1541 1 12 . 1 1 31 31 LEU HA H 31 4.833 4.833 5.032 -0.199 18019
1542 1 12 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.500 1.492 18019
1543 1 12 . 1 1 31 31 LEU H H 31 9.161 9.161 9.129 0.032 18019
1544 1 12 . 1 1 32 32 VAL N N 32 119.330 119.330 119.458 -0.128 18019
1545 1 12 . 1 1 32 32 VAL HA H 32 3.922 3.922 4.053 -0.131 18019
1546 1 12 . 1 1 32 32 VAL CA C 32 64.622 64.622 61.880 2.742 18019
1547 1 12 . 1 1 32 32 VAL CB C 32 32.244 32.244 32.618 -0.374 18019
1548 1 12 . 1 1 32 32 VAL H H 32 8.105 8.105 8.270 -0.165 18019
1549 1 13 . 1 1 2 2 CYS N N 2 117.089 117.089 116.467 0.622 18019
1550 1 13 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.862 0.006 18019
1551 1 13 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.441 -3.472 18019
1552 1 13 . 1 1 2 2 CYS H H 2 8.734 8.734 7.853 0.881 18019
1553 1 13 . 1 1 3 3 GLY N N 3 106.623 106.623 107.438 -0.815 18019
1554 1 13 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.034 2.389 18019
1555 1 13 . 1 1 3 3 GLY H H 3 9.036 9.036 8.193 0.843 18019
1556 1 13 . 1 1 4 4 HIS N N 4 126.621 126.621 116.402 10.219 18019
1557 1 13 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.495 -0.166 18019
1558 1 13 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.783 -0.366 18019
1559 1 13 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.031 -3.118 18019
1560 1 13 . 1 1 4 4 HIS H H 4 9.430 9.430 7.577 1.853 18019
1561 1 13 . 1 1 5 5 LEU N N 5 121.401 121.401 119.427 1.974 18019
1562 1 13 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.123 -0.373 18019
1563 1 13 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.705 0.843 18019
1564 1 13 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.394 -0.939 18019
1565 1 13 . 1 1 5 5 LEU H H 5 8.382 8.382 8.298 0.084 18019
1566 1 13 . 1 1 6 6 HIS N N 6 116.370 116.370 113.083 3.287 18019
1567 1 13 . 1 1 6 6 HIS HA H 6 3.952 3.952 4.938 -0.986 18019
1568 1 13 . 1 1 6 6 HIS CA C 6 58.529 58.529 55.181 3.348 18019
1569 1 13 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.230 -1.432 18019
1570 1 13 . 1 1 6 6 HIS H H 6 9.611 9.611 8.192 1.419 18019
1571 1 13 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.939 0.015 18019
1572 1 13 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.249 1.097 18019
1573 1 13 . 1 1 7 7 ASP H H 7 8.793 8.793 7.305 1.488 18019
1574 1 13 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.469 0.461 18019
1575 1 13 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.720 -0.338 18019
1576 1 13 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.898 0.148 18019
1577 1 13 . 1 1 9 9 CYS N N 9 116.579 116.579 113.955 2.624 18019
1578 1 13 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.240 -0.034 18019
1579 1 13 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.431 -1.881 18019
1580 1 13 . 1 1 9 9 CYS CB C 9 43.049 43.049 26.760 16.289 18019
1581 1 13 . 1 1 9 9 CYS H H 9 8.235 8.235 8.253 -0.018 18019
1582 1 13 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.336 0.062 18019
1583 1 13 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.582 0.135 18019
1584 1 13 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.097 -0.216 18019
1585 1 13 . 1 1 11 11 ASN N N 11 116.436 116.436 117.557 -1.121 18019
1586 1 13 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.746 0.188 18019
1587 1 13 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.598 -0.215 18019
1588 1 13 . 1 1 11 11 ASN CB C 11 38.969 38.969 37.978 0.991 18019
1589 1 13 . 1 1 11 11 ASN H H 11 8.901 8.901 8.227 0.674 18019
1590 1 13 . 1 1 12 12 ASP N N 12 121.980 121.980 121.312 0.668 18019
1591 1 13 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.503 0.507 18019
1592 1 13 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.703 0.583 18019
1593 1 13 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.095 3.870 18019
1594 1 13 . 1 1 12 12 ASP H H 12 7.045 7.045 7.548 -0.503 18019
1595 1 13 . 1 1 13 13 ARG N N 13 124.183 124.183 123.407 0.776 18019
1596 1 13 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.872 -0.035 18019
1597 1 13 . 1 1 13 13 ARG H H 13 8.214 8.214 7.832 0.382 18019
1598 1 13 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.383 -0.176 18019
1599 1 13 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.980 0.868 18019
1600 1 13 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.351 0.677 18019
1601 1 13 . 1 1 15 15 GLY N N 15 113.652 113.652 113.082 0.570 18019
1602 1 13 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.919 0.317 18019
1603 1 13 . 1 1 15 15 GLY H H 15 8.932 8.932 8.759 0.173 18019
1604 1 13 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.708 -0.069 18019
1605 1 13 . 1 1 16 16 HIS CA C 16 55.195 55.195 56.313 -1.118 18019
1606 1 13 . 1 1 16 16 HIS CB C 16 28.287 28.287 30.680 -2.393 18019
1607 1 13 . 1 1 16 16 HIS H H 16 8.764 8.764 7.827 0.937 18019
1608 1 13 . 1 1 17 17 ARG N N 17 123.881 123.881 124.552 -0.671 18019
1609 1 13 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.636 0.092 18019
1610 1 13 . 1 1 17 17 ARG H H 17 8.632 8.632 8.245 0.387 18019
1611 1 13 . 1 1 18 18 THR N N 18 114.176 114.176 110.618 3.558 18019
1612 1 13 . 1 1 18 18 THR HA H 18 4.496 4.496 4.345 0.151 18019
1613 1 13 . 1 1 18 18 THR CA C 18 62.491 62.491 61.990 0.501 18019
1614 1 13 . 1 1 18 18 THR H H 18 9.527 9.527 8.293 1.234 18019
1615 1 13 . 1 1 19 19 CYS N N 19 122.166 122.166 118.412 3.754 18019
1616 1 13 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.710 0.009 18019
1617 1 13 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.751 -3.257 18019
1618 1 13 . 1 1 19 19 CYS CB C 19 38.212 38.212 28.750 9.462 18019
1619 1 13 . 1 1 19 19 CYS H H 19 8.132 8.132 7.559 0.573 18019
1620 1 13 . 1 1 20 20 CYS N N 20 123.615 123.615 122.099 1.516 18019
1621 1 13 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.477 -0.075 18019
1622 1 13 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.352 -5.051 18019
1623 1 13 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.466 10.213 18019
1624 1 13 . 1 1 20 20 CYS H H 20 10.015 10.015 8.688 1.327 18019
1625 1 13 . 1 1 21 21 ILE HA H 21 3.886 3.886 3.993 -0.107 18019
1626 1 13 . 1 1 21 21 ILE CA C 21 62.705 62.705 62.663 0.042 18019
1627 1 13 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.806 -1.351 18019
1628 1 13 . 1 1 21 21 ILE H H 21 8.097 8.097 8.584 -0.487 18019
1629 1 13 . 1 1 22 22 GLY N N 22 114.980 114.980 114.614 0.366 18019
1630 1 13 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.258 -0.836 18019
1631 1 13 . 1 1 22 22 GLY H H 22 8.717 8.717 8.527 0.190 18019
1632 1 13 . 1 1 23 23 LEU N N 23 120.903 120.903 118.254 2.649 18019
1633 1 13 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.080 -0.103 18019
1634 1 13 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.261 -0.007 18019
1635 1 13 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.197 -1.990 18019
1636 1 13 . 1 1 23 23 LEU H H 23 8.066 8.066 7.398 0.668 18019
1637 1 13 . 1 1 24 24 GLN N N 24 118.630 118.630 117.530 1.100 18019
1638 1 13 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.576 -0.044 18019
1639 1 13 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.670 -0.925 18019
1640 1 13 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.340 -0.896 18019
1641 1 13 . 1 1 24 24 GLN H H 24 9.483 9.483 8.748 0.735 18019
1642 1 13 . 1 1 25 25 CYS N N 25 125.114 125.114 124.999 0.115 18019
1643 1 13 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.446 -0.712 18019
1644 1 13 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.222 14.176 18019
1645 1 13 . 1 1 25 25 CYS H H 25 8.865 8.865 8.857 0.008 18019
1646 1 13 . 1 1 26 26 ARG N N 26 133.389 133.389 127.954 5.435 18019
1647 1 13 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.476 -0.086 18019
1648 1 13 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.534 0.461 18019
1649 1 13 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.873 -1.360 18019
1650 1 13 . 1 1 26 26 ARG H H 26 9.517 9.517 9.106 0.411 18019
1651 1 13 . 1 1 27 27 TYR N N 27 122.855 122.855 119.146 3.709 18019
1652 1 13 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.249 -0.094 18019
1653 1 13 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.453 -0.533 18019
1654 1 13 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.389 0.061 18019
1655 1 13 . 1 1 27 27 TYR H H 27 8.949 8.949 8.514 0.435 18019
1656 1 13 . 1 1 28 28 GLY N N 28 102.916 102.916 103.183 -0.267 18019
1657 1 13 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.333 0.637 18019
1658 1 13 . 1 1 28 28 GLY H H 28 8.327 8.327 8.743 -0.416 18019
1659 1 13 . 1 1 29 29 LYS N N 29 122.470 122.470 118.280 4.190 18019
1660 1 13 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.703 0.379 18019
1661 1 13 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.844 -0.129 18019
1662 1 13 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.864 0.181 18019
1663 1 13 . 1 1 29 29 LYS H H 29 7.926 7.926 7.623 0.303 18019
1664 1 13 . 1 1 30 30 CYS N N 30 119.755 119.755 118.674 1.081 18019
1665 1 13 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.709 -0.864 18019
1666 1 13 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.204 -2.712 18019
1667 1 13 . 1 1 30 30 CYS CB C 30 39.109 39.109 28.231 10.878 18019
1668 1 13 . 1 1 30 30 CYS H H 30 8.812 8.812 8.244 0.568 18019
1669 1 13 . 1 1 31 31 LEU N N 31 127.374 127.374 122.466 4.908 18019
1670 1 13 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.999 -0.166 18019
1671 1 13 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.445 1.547 18019
1672 1 13 . 1 1 31 31 LEU H H 31 9.161 9.161 9.141 0.020 18019
1673 1 13 . 1 1 32 32 VAL N N 32 119.330 119.330 119.989 -0.659 18019
1674 1 13 . 1 1 32 32 VAL HA H 32 3.922 3.922 4.008 -0.086 18019
1675 1 13 . 1 1 32 32 VAL CA C 32 64.622 64.622 61.949 2.673 18019
1676 1 13 . 1 1 32 32 VAL CB C 32 32.244 32.244 32.412 -0.168 18019
1677 1 13 . 1 1 32 32 VAL H H 32 8.105 8.105 8.291 -0.186 18019
1678 1 14 . 1 1 2 2 CYS N N 2 117.089 117.089 116.001 1.088 18019
1679 1 14 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.755 0.113 18019
1680 1 14 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.636 -3.667 18019
1681 1 14 . 1 1 2 2 CYS H H 2 8.734 8.734 8.138 0.596 18019
1682 1 14 . 1 1 3 3 GLY N N 3 106.623 106.623 107.473 -0.850 18019
1683 1 14 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.164 2.259 18019
1684 1 14 . 1 1 3 3 GLY H H 3 9.036 9.036 8.245 0.791 18019
1685 1 14 . 1 1 4 4 HIS N N 4 126.621 126.621 116.616 10.005 18019
1686 1 14 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.496 -0.167 18019
1687 1 14 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.915 -0.498 18019
1688 1 14 . 1 1 4 4 HIS CB C 4 28.913 28.913 31.967 -3.054 18019
1689 1 14 . 1 1 4 4 HIS H H 4 9.430 9.430 7.541 1.889 18019
1690 1 14 . 1 1 5 5 LEU N N 5 121.401 121.401 119.528 1.873 18019
1691 1 14 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.118 -0.368 18019
1692 1 14 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.746 0.801 18019
1693 1 14 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.322 -0.867 18019
1694 1 14 . 1 1 5 5 LEU H H 5 8.382 8.382 8.294 0.088 18019
1695 1 14 . 1 1 6 6 HIS N N 6 116.370 116.370 112.952 3.418 18019
1696 1 14 . 1 1 6 6 HIS HA H 6 3.952 3.952 4.992 -1.040 18019
1697 1 14 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.651 3.878 18019
1698 1 14 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.340 -1.542 18019
1699 1 14 . 1 1 6 6 HIS H H 6 9.611 9.611 8.156 1.455 18019
1700 1 14 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.935 0.019 18019
1701 1 14 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.327 1.019 18019
1702 1 14 . 1 1 7 7 ASP H H 7 8.793 8.793 7.320 1.473 18019
1703 1 14 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.500 0.430 18019
1704 1 14 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.740 -0.358 18019
1705 1 14 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.572 0.474 18019
1706 1 14 . 1 1 9 9 CYS N N 9 116.579 116.579 115.714 0.865 18019
1707 1 14 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.236 -0.030 18019
1708 1 14 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.325 -1.775 18019
1709 1 14 . 1 1 9 9 CYS CB C 9 43.049 43.049 26.970 16.079 18019
1710 1 14 . 1 1 9 9 CYS H H 9 8.235 8.235 8.431 -0.196 18019
1711 1 14 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.325 0.073 18019
1712 1 14 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.515 0.202 18019
1713 1 14 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.089 -0.208 18019
1714 1 14 . 1 1 11 11 ASN N N 11 116.436 116.436 118.090 -1.654 18019
1715 1 14 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.769 0.165 18019
1716 1 14 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.574 -0.191 18019
1717 1 14 . 1 1 11 11 ASN CB C 11 38.969 38.969 37.933 1.036 18019
1718 1 14 . 1 1 11 11 ASN H H 11 8.901 8.901 8.234 0.667 18019
1719 1 14 . 1 1 12 12 ASP N N 12 121.980 121.980 120.995 0.985 18019
1720 1 14 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.443 0.567 18019
1721 1 14 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.975 0.310 18019
1722 1 14 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.152 3.813 18019
1723 1 14 . 1 1 12 12 ASP H H 12 7.045 7.045 7.498 -0.453 18019
1724 1 14 . 1 1 13 13 ARG N N 13 124.183 124.183 125.016 -0.833 18019
1725 1 14 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.814 0.023 18019
1726 1 14 . 1 1 13 13 ARG H H 13 8.214 8.214 7.778 0.436 18019
1727 1 14 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.368 -0.161 18019
1728 1 14 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.781 1.067 18019
1729 1 14 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.252 0.776 18019
1730 1 14 . 1 1 15 15 GLY N N 15 113.652 113.652 113.130 0.522 18019
1731 1 14 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.943 0.293 18019
1732 1 14 . 1 1 15 15 GLY H H 15 8.932 8.932 8.751 0.181 18019
1733 1 14 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.730 -0.091 18019
1734 1 14 . 1 1 16 16 HIS CA C 16 55.195 55.195 56.178 -0.983 18019
1735 1 14 . 1 1 16 16 HIS CB C 16 28.287 28.287 30.629 -2.342 18019
1736 1 14 . 1 1 16 16 HIS H H 16 8.764 8.764 7.851 0.913 18019
1737 1 14 . 1 1 17 17 ARG N N 17 123.881 123.881 124.558 -0.677 18019
1738 1 14 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.602 0.126 18019
1739 1 14 . 1 1 17 17 ARG H H 17 8.632 8.632 8.179 0.453 18019
1740 1 14 . 1 1 18 18 THR N N 18 114.176 114.176 111.049 3.127 18019
1741 1 14 . 1 1 18 18 THR HA H 18 4.496 4.496 4.353 0.143 18019
1742 1 14 . 1 1 18 18 THR CA C 18 62.491 62.491 61.674 0.817 18019
1743 1 14 . 1 1 18 18 THR H H 18 9.527 9.527 8.414 1.113 18019
1744 1 14 . 1 1 19 19 CYS N N 19 122.166 122.166 118.358 3.808 18019
1745 1 14 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.731 -0.012 18019
1746 1 14 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.678 -3.183 18019
1747 1 14 . 1 1 19 19 CYS CB C 19 38.212 38.212 29.022 9.190 18019
1748 1 14 . 1 1 19 19 CYS H H 19 8.132 8.132 7.613 0.519 18019
1749 1 14 . 1 1 20 20 CYS N N 20 123.615 123.615 121.488 2.127 18019
1750 1 14 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.485 -0.083 18019
1751 1 14 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.356 -5.055 18019
1752 1 14 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.717 9.962 18019
1753 1 14 . 1 1 20 20 CYS H H 20 10.015 10.015 8.665 1.350 18019
1754 1 14 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.018 -0.132 18019
1755 1 14 . 1 1 21 21 ILE CA C 21 62.705 62.705 63.239 -0.534 18019
1756 1 14 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.576 -1.121 18019
1757 1 14 . 1 1 21 21 ILE H H 21 8.097 8.097 8.745 -0.648 18019
1758 1 14 . 1 1 22 22 GLY N N 22 114.980 114.980 115.117 -0.137 18019
1759 1 14 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.156 -0.734 18019
1760 1 14 . 1 1 22 22 GLY H H 22 8.717 8.717 8.547 0.170 18019
1761 1 14 . 1 1 23 23 LEU N N 23 120.903 120.903 118.482 2.421 18019
1762 1 14 . 1 1 23 23 LEU HA H 23 4.977 4.977 4.998 -0.021 18019
1763 1 14 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.361 -0.107 18019
1764 1 14 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.288 -2.081 18019
1765 1 14 . 1 1 23 23 LEU H H 23 8.066 8.066 7.406 0.660 18019
1766 1 14 . 1 1 24 24 GLN N N 24 118.630 118.630 117.718 0.912 18019
1767 1 14 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.626 -0.094 18019
1768 1 14 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.854 -1.108 18019
1769 1 14 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.348 -0.905 18019
1770 1 14 . 1 1 24 24 GLN H H 24 9.483 9.483 8.789 0.694 18019
1771 1 14 . 1 1 25 25 CYS N N 25 125.114 125.114 125.267 -0.153 18019
1772 1 14 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.290 -0.556 18019
1773 1 14 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.205 14.193 18019
1774 1 14 . 1 1 25 25 CYS H H 25 8.865 8.865 8.869 -0.004 18019
1775 1 14 . 1 1 26 26 ARG N N 26 133.389 133.389 128.000 5.389 18019
1776 1 14 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.470 -0.080 18019
1777 1 14 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.471 0.524 18019
1778 1 14 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.776 -1.263 18019
1779 1 14 . 1 1 26 26 ARG H H 26 9.517 9.517 9.222 0.295 18019
1780 1 14 . 1 1 27 27 TYR N N 27 122.855 122.855 119.028 3.827 18019
1781 1 14 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.247 -0.092 18019
1782 1 14 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.428 -0.508 18019
1783 1 14 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.337 0.112 18019
1784 1 14 . 1 1 27 27 TYR H H 27 8.949 8.949 8.495 0.454 18019
1785 1 14 . 1 1 28 28 GLY N N 28 102.916 102.916 103.408 -0.492 18019
1786 1 14 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.293 0.677 18019
1787 1 14 . 1 1 28 28 GLY H H 28 8.327 8.327 8.734 -0.407 18019
1788 1 14 . 1 1 29 29 LYS N N 29 122.470 122.470 118.234 4.236 18019
1789 1 14 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.696 0.386 18019
1790 1 14 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.824 -0.109 18019
1791 1 14 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.982 0.063 18019
1792 1 14 . 1 1 29 29 LYS H H 29 7.926 7.926 7.624 0.302 18019
1793 1 14 . 1 1 30 30 CYS N N 30 119.755 119.755 119.813 -0.058 18019
1794 1 14 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.592 -0.747 18019
1795 1 14 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.487 -2.995 18019
1796 1 14 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.618 11.491 18019
1797 1 14 . 1 1 30 30 CYS H H 30 8.812 8.812 8.270 0.542 18019
1798 1 14 . 1 1 31 31 LEU N N 31 127.374 127.374 123.413 3.961 18019
1799 1 14 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.853 -0.020 18019
1800 1 14 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.333 1.659 18019
1801 1 14 . 1 1 31 31 LEU H H 31 9.161 9.161 9.143 0.018 18019
1802 1 14 . 1 1 32 32 VAL N N 32 119.330 119.330 119.786 -0.456 18019
1803 1 14 . 1 1 32 32 VAL HA H 32 3.922 3.922 4.093 -0.171 18019
1804 1 14 . 1 1 32 32 VAL CA C 32 64.622 64.622 61.050 3.572 18019
1805 1 14 . 1 1 32 32 VAL CB C 32 32.244 32.244 31.840 0.404 18019
1806 1 14 . 1 1 32 32 VAL H H 32 8.105 8.105 8.261 -0.156 18019
1807 1 15 . 1 1 2 2 CYS N N 2 117.089 117.089 115.345 1.744 18019
1808 1 15 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.706 0.162 18019
1809 1 15 . 1 1 2 2 CYS CA C 2 53.969 53.969 58.029 -4.060 18019
1810 1 15 . 1 1 2 2 CYS H H 2 8.734 8.734 7.985 0.749 18019
1811 1 15 . 1 1 3 3 GLY N N 3 106.623 106.623 107.459 -0.836 18019
1812 1 15 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.091 2.332 18019
1813 1 15 . 1 1 3 3 GLY H H 3 9.036 9.036 8.201 0.835 18019
1814 1 15 . 1 1 4 4 HIS N N 4 126.621 126.621 116.387 10.234 18019
1815 1 15 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.500 -0.171 18019
1816 1 15 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.793 -0.376 18019
1817 1 15 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.006 -3.093 18019
1818 1 15 . 1 1 4 4 HIS H H 4 9.430 9.430 7.563 1.867 18019
1819 1 15 . 1 1 5 5 LEU N N 5 121.401 121.401 119.420 1.981 18019
1820 1 15 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.122 -0.372 18019
1821 1 15 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.701 0.846 18019
1822 1 15 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.373 -0.918 18019
1823 1 15 . 1 1 5 5 LEU H H 5 8.382 8.382 8.304 0.078 18019
1824 1 15 . 1 1 6 6 HIS N N 6 116.370 116.370 113.249 3.121 18019
1825 1 15 . 1 1 6 6 HIS HA H 6 3.952 3.952 4.993 -1.041 18019
1826 1 15 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.943 3.586 18019
1827 1 15 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.266 -1.468 18019
1828 1 15 . 1 1 6 6 HIS H H 6 9.611 9.611 8.138 1.473 18019
1829 1 15 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.931 0.023 18019
1830 1 15 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.271 1.075 18019
1831 1 15 . 1 1 7 7 ASP H H 7 8.793 8.793 7.307 1.486 18019
1832 1 15 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.470 0.460 18019
1833 1 15 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.710 -0.328 18019
1834 1 15 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.775 0.271 18019
1835 1 15 . 1 1 9 9 CYS N N 9 116.579 116.579 115.267 1.312 18019
1836 1 15 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.240 -0.034 18019
1837 1 15 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.259 -1.709 18019
1838 1 15 . 1 1 9 9 CYS CB C 9 43.049 43.049 26.691 16.358 18019
1839 1 15 . 1 1 9 9 CYS H H 9 8.235 8.235 8.288 -0.053 18019
1840 1 15 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.322 0.076 18019
1841 1 15 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.486 0.232 18019
1842 1 15 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.089 -0.208 18019
1843 1 15 . 1 1 11 11 ASN N N 11 116.436 116.436 117.641 -1.205 18019
1844 1 15 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.728 0.206 18019
1845 1 15 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.715 -0.332 18019
1846 1 15 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.105 0.864 18019
1847 1 15 . 1 1 11 11 ASN H H 11 8.901 8.901 8.220 0.681 18019
1848 1 15 . 1 1 12 12 ASP N N 12 121.980 121.980 121.217 0.763 18019
1849 1 15 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.441 0.569 18019
1850 1 15 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.877 0.408 18019
1851 1 15 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.150 3.815 18019
1852 1 15 . 1 1 12 12 ASP H H 12 7.045 7.045 7.503 -0.458 18019
1853 1 15 . 1 1 13 13 ARG N N 13 124.183 124.183 125.058 -0.875 18019
1854 1 15 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.824 0.013 18019
1855 1 15 . 1 1 13 13 ARG H H 13 8.214 8.214 7.861 0.353 18019
1856 1 15 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.368 -0.161 18019
1857 1 15 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.898 0.950 18019
1858 1 15 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.228 0.800 18019
1859 1 15 . 1 1 15 15 GLY N N 15 113.652 113.652 113.144 0.508 18019
1860 1 15 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.995 0.241 18019
1861 1 15 . 1 1 15 15 GLY H H 15 8.932 8.932 8.732 0.201 18019
1862 1 15 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.746 -0.107 18019
1863 1 15 . 1 1 16 16 HIS CA C 16 55.195 55.195 56.017 -0.822 18019
1864 1 15 . 1 1 16 16 HIS CB C 16 28.287 28.287 30.798 -2.511 18019
1865 1 15 . 1 1 16 16 HIS H H 16 8.764 8.764 7.892 0.872 18019
1866 1 15 . 1 1 17 17 ARG N N 17 123.881 123.881 124.028 -0.147 18019
1867 1 15 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.678 0.050 18019
1868 1 15 . 1 1 17 17 ARG H H 17 8.632 8.632 8.214 0.418 18019
1869 1 15 . 1 1 18 18 THR N N 18 114.176 114.176 110.990 3.186 18019
1870 1 15 . 1 1 18 18 THR HA H 18 4.496 4.496 4.346 0.150 18019
1871 1 15 . 1 1 18 18 THR CA C 18 62.491 62.491 61.884 0.607 18019
1872 1 15 . 1 1 18 18 THR H H 18 9.527 9.527 8.395 1.132 18019
1873 1 15 . 1 1 19 19 CYS N N 19 122.166 122.166 118.407 3.759 18019
1874 1 15 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.714 0.005 18019
1875 1 15 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.687 -3.193 18019
1876 1 15 . 1 1 19 19 CYS CB C 19 38.212 38.212 28.833 9.379 18019
1877 1 15 . 1 1 19 19 CYS H H 19 8.132 8.132 7.578 0.554 18019
1878 1 15 . 1 1 20 20 CYS N N 20 123.615 123.615 121.402 2.213 18019
1879 1 15 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.483 -0.081 18019
1880 1 15 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.459 -5.158 18019
1881 1 15 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.615 10.064 18019
1882 1 15 . 1 1 20 20 CYS H H 20 10.015 10.015 8.708 1.307 18019
1883 1 15 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.016 -0.130 18019
1884 1 15 . 1 1 21 21 ILE CA C 21 62.705 62.705 62.617 0.088 18019
1885 1 15 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.642 -1.187 18019
1886 1 15 . 1 1 21 21 ILE H H 21 8.097 8.097 8.603 -0.506 18019
1887 1 15 . 1 1 22 22 GLY N N 22 114.980 114.980 115.396 -0.416 18019
1888 1 15 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.353 -0.931 18019
1889 1 15 . 1 1 22 22 GLY H H 22 8.717 8.717 8.522 0.195 18019
1890 1 15 . 1 1 23 23 LEU N N 23 120.903 120.903 118.354 2.549 18019
1891 1 15 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.031 -0.054 18019
1892 1 15 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.315 -0.061 18019
1893 1 15 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.209 -2.002 18019
1894 1 15 . 1 1 23 23 LEU H H 23 8.066 8.066 7.370 0.696 18019
1895 1 15 . 1 1 24 24 GLN N N 24 118.630 118.630 117.487 1.143 18019
1896 1 15 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.617 -0.085 18019
1897 1 15 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.770 -1.024 18019
1898 1 15 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.318 -0.875 18019
1899 1 15 . 1 1 24 24 GLN H H 24 9.483 9.483 8.747 0.736 18019
1900 1 15 . 1 1 25 25 CYS N N 25 125.114 125.114 125.113 0.001 18019
1901 1 15 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.269 -0.535 18019
1902 1 15 . 1 1 25 25 CYS CB C 25 40.398 40.398 25.979 14.419 18019
1903 1 15 . 1 1 25 25 CYS H H 25 8.865 8.865 8.875 -0.010 18019
1904 1 15 . 1 1 26 26 ARG N N 26 133.389 133.389 128.069 5.320 18019
1905 1 15 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.484 -0.094 18019
1906 1 15 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.248 0.747 18019
1907 1 15 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.348 -0.835 18019
1908 1 15 . 1 1 26 26 ARG H H 26 9.517 9.517 9.222 0.295 18019
1909 1 15 . 1 1 27 27 TYR N N 27 122.855 122.855 119.044 3.811 18019
1910 1 15 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.247 -0.092 18019
1911 1 15 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.434 -0.514 18019
1912 1 15 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.345 0.105 18019
1913 1 15 . 1 1 27 27 TYR H H 27 8.949 8.949 8.500 0.449 18019
1914 1 15 . 1 1 28 28 GLY N N 28 102.916 102.916 103.397 -0.481 18019
1915 1 15 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.303 0.667 18019
1916 1 15 . 1 1 28 28 GLY H H 28 8.327 8.327 8.738 -0.411 18019
1917 1 15 . 1 1 29 29 LYS N N 29 122.470 122.470 118.200 4.270 18019
1918 1 15 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.698 0.384 18019
1919 1 15 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.852 -0.137 18019
1920 1 15 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.954 0.091 18019
1921 1 15 . 1 1 29 29 LYS H H 29 7.926 7.926 7.623 0.303 18019
1922 1 15 . 1 1 30 30 CYS N N 30 119.755 119.755 119.591 0.164 18019
1923 1 15 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.656 -0.811 18019
1924 1 15 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.521 -3.029 18019
1925 1 15 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.712 11.397 18019
1926 1 15 . 1 1 30 30 CYS H H 30 8.812 8.812 8.270 0.542 18019
1927 1 15 . 1 1 31 31 LEU N N 31 127.374 127.374 123.664 3.710 18019
1928 1 15 . 1 1 31 31 LEU HA H 31 4.833 4.833 5.011 -0.178 18019
1929 1 15 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.546 1.446 18019
1930 1 15 . 1 1 31 31 LEU H H 31 9.161 9.161 9.145 0.016 18019
1931 1 15 . 1 1 32 32 VAL N N 32 119.330 119.330 119.492 -0.162 18019
1932 1 15 . 1 1 32 32 VAL HA H 32 3.922 3.922 4.014 -0.092 18019
1933 1 15 . 1 1 32 32 VAL CA C 32 64.622 64.622 62.019 2.603 18019
1934 1 15 . 1 1 32 32 VAL CB C 32 32.244 32.244 32.268 -0.024 18019
1935 1 15 . 1 1 32 32 VAL H H 32 8.105 8.105 8.258 -0.153 18019
1936 1 16 . 1 1 2 2 CYS N N 2 117.089 117.089 115.236 1.853 18019
1937 1 16 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.748 0.120 18019
1938 1 16 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.956 -3.987 18019
1939 1 16 . 1 1 2 2 CYS H H 2 8.734 8.734 7.840 0.894 18019
1940 1 16 . 1 1 3 3 GLY N N 3 106.623 106.623 107.436 -0.813 18019
1941 1 16 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.038 2.385 18019
1942 1 16 . 1 1 3 3 GLY H H 3 9.036 9.036 8.121 0.915 18019
1943 1 16 . 1 1 4 4 HIS N N 4 126.621 126.621 116.450 10.171 18019
1944 1 16 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.496 -0.167 18019
1945 1 16 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.798 -0.381 18019
1946 1 16 . 1 1 4 4 HIS CB C 4 28.913 28.913 31.957 -3.044 18019
1947 1 16 . 1 1 4 4 HIS H H 4 9.430 9.430 7.533 1.897 18019
1948 1 16 . 1 1 5 5 LEU N N 5 121.401 121.401 119.527 1.874 18019
1949 1 16 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.117 -0.367 18019
1950 1 16 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.731 0.816 18019
1951 1 16 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.317 -0.862 18019
1952 1 16 . 1 1 5 5 LEU H H 5 8.382 8.382 8.300 0.082 18019
1953 1 16 . 1 1 6 6 HIS N N 6 116.370 116.370 113.412 2.958 18019
1954 1 16 . 1 1 6 6 HIS HA H 6 3.952 3.952 4.974 -1.022 18019
1955 1 16 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.318 4.211 18019
1956 1 16 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.506 -1.708 18019
1957 1 16 . 1 1 6 6 HIS H H 6 9.611 9.611 8.051 1.560 18019
1958 1 16 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.963 -0.009 18019
1959 1 16 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.154 1.192 18019
1960 1 16 . 1 1 7 7 ASP H H 7 8.793 8.793 7.448 1.345 18019
1961 1 16 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.498 0.432 18019
1962 1 16 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.686 -0.304 18019
1963 1 16 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.710 0.336 18019
1964 1 16 . 1 1 9 9 CYS N N 9 116.579 116.579 114.396 2.183 18019
1965 1 16 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.178 0.028 18019
1966 1 16 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.420 -1.871 18019
1967 1 16 . 1 1 9 9 CYS CB C 9 43.049 43.049 27.043 16.006 18019
1968 1 16 . 1 1 9 9 CYS H H 9 8.235 8.235 8.403 -0.168 18019
1969 1 16 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.354 0.044 18019
1970 1 16 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.217 0.500 18019
1971 1 16 . 1 1 10 10 PRO CB C 10 31.881 31.881 31.946 -0.065 18019
1972 1 16 . 1 1 11 11 ASN N N 11 116.436 116.436 117.949 -1.513 18019
1973 1 16 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.736 0.198 18019
1974 1 16 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.870 -0.487 18019
1975 1 16 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.148 0.821 18019
1976 1 16 . 1 1 11 11 ASN H H 11 8.901 8.901 8.121 0.780 18019
1977 1 16 . 1 1 12 12 ASP N N 12 121.980 121.980 121.224 0.756 18019
1978 1 16 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.451 0.559 18019
1979 1 16 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.952 0.333 18019
1980 1 16 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.230 3.735 18019
1981 1 16 . 1 1 12 12 ASP H H 12 7.045 7.045 7.538 -0.493 18019
1982 1 16 . 1 1 13 13 ARG N N 13 124.183 124.183 123.587 0.596 18019
1983 1 16 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.878 -0.041 18019
1984 1 16 . 1 1 13 13 ARG H H 13 8.214 8.214 7.825 0.389 18019
1985 1 16 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.367 -0.160 18019
1986 1 16 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.797 1.051 18019
1987 1 16 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.247 0.781 18019
1988 1 16 . 1 1 15 15 GLY N N 15 113.652 113.652 113.150 0.502 18019
1989 1 16 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.967 0.270 18019
1990 1 16 . 1 1 15 15 GLY H H 15 8.932 8.932 8.751 0.181 18019
1991 1 16 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.747 -0.108 18019
1992 1 16 . 1 1 16 16 HIS CA C 16 55.195 55.195 55.997 -0.802 18019
1993 1 16 . 1 1 16 16 HIS CB C 16 28.287 28.287 30.618 -2.331 18019
1994 1 16 . 1 1 16 16 HIS H H 16 8.764 8.764 7.855 0.909 18019
1995 1 16 . 1 1 17 17 ARG N N 17 123.881 123.881 124.601 -0.720 18019
1996 1 16 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.589 0.139 18019
1997 1 16 . 1 1 17 17 ARG H H 17 8.632 8.632 8.155 0.477 18019
1998 1 16 . 1 1 18 18 THR N N 18 114.176 114.176 110.980 3.196 18019
1999 1 16 . 1 1 18 18 THR HA H 18 4.496 4.496 4.312 0.184 18019
2000 1 16 . 1 1 18 18 THR CA C 18 62.491 62.491 61.962 0.529 18019
2001 1 16 . 1 1 18 18 THR H H 18 9.527 9.527 8.393 1.134 18019
2002 1 16 . 1 1 19 19 CYS N N 19 122.166 122.166 118.218 3.948 18019
2003 1 16 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.723 -0.004 18019
2004 1 16 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.808 -3.314 18019
2005 1 16 . 1 1 19 19 CYS CB C 19 38.212 38.212 28.939 9.273 18019
2006 1 16 . 1 1 19 19 CYS H H 19 8.132 8.132 7.562 0.570 18019
2007 1 16 . 1 1 20 20 CYS N N 20 123.615 123.615 121.499 2.116 18019
2008 1 16 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.511 -0.109 18019
2009 1 16 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.322 -5.021 18019
2010 1 16 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.614 10.065 18019
2011 1 16 . 1 1 20 20 CYS H H 20 10.015 10.015 8.683 1.332 18019
2012 1 16 . 1 1 21 21 ILE HA H 21 3.886 3.886 3.973 -0.087 18019
2013 1 16 . 1 1 21 21 ILE CA C 21 62.705 62.705 62.623 0.082 18019
2014 1 16 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.785 -1.330 18019
2015 1 16 . 1 1 21 21 ILE H H 21 8.097 8.097 8.410 -0.313 18019
2016 1 16 . 1 1 22 22 GLY N N 22 114.980 114.980 115.114 -0.134 18019
2017 1 16 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.373 -0.951 18019
2018 1 16 . 1 1 22 22 GLY H H 22 8.717 8.717 8.676 0.041 18019
2019 1 16 . 1 1 23 23 LEU N N 23 120.903 120.903 118.392 2.511 18019
2020 1 16 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.044 -0.067 18019
2021 1 16 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.379 -0.125 18019
2022 1 16 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.370 -2.163 18019
2023 1 16 . 1 1 23 23 LEU H H 23 8.066 8.066 7.423 0.643 18019
2024 1 16 . 1 1 24 24 GLN N N 24 118.630 118.630 118.391 0.239 18019
2025 1 16 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.570 -0.038 18019
2026 1 16 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.571 -0.825 18019
2027 1 16 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.470 -1.027 18019
2028 1 16 . 1 1 24 24 GLN H H 24 9.483 9.483 8.958 0.525 18019
2029 1 16 . 1 1 25 25 CYS N N 25 125.114 125.114 125.455 -0.341 18019
2030 1 16 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.223 -0.489 18019
2031 1 16 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.172 14.226 18019
2032 1 16 . 1 1 25 25 CYS H H 25 8.865 8.865 8.909 -0.044 18019
2033 1 16 . 1 1 26 26 ARG N N 26 133.389 133.389 127.515 5.874 18019
2034 1 16 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.475 -0.085 18019
2035 1 16 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.300 0.695 18019
2036 1 16 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.457 -0.944 18019
2037 1 16 . 1 1 26 26 ARG H H 26 9.517 9.517 9.204 0.313 18019
2038 1 16 . 1 1 27 27 TYR N N 27 122.855 122.855 118.793 4.062 18019
2039 1 16 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.199 -0.044 18019
2040 1 16 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.260 -0.340 18019
2041 1 16 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.181 0.269 18019
2042 1 16 . 1 1 27 27 TYR H H 27 8.949 8.949 8.823 0.126 18019
2043 1 16 . 1 1 28 28 GLY N N 28 102.916 102.916 103.175 -0.259 18019
2044 1 16 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.353 0.617 18019
2045 1 16 . 1 1 28 28 GLY H H 28 8.327 8.327 8.715 -0.388 18019
2046 1 16 . 1 1 29 29 LYS N N 29 122.470 122.470 118.186 4.284 18019
2047 1 16 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.697 0.385 18019
2048 1 16 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.855 -0.140 18019
2049 1 16 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.963 0.082 18019
2050 1 16 . 1 1 29 29 LYS H H 29 7.926 7.926 7.616 0.310 18019
2051 1 16 . 1 1 30 30 CYS N N 30 119.755 119.755 119.579 0.176 18019
2052 1 16 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.610 -0.765 18019
2053 1 16 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.400 -2.908 18019
2054 1 16 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.730 11.379 18019
2055 1 16 . 1 1 30 30 CYS H H 30 8.812 8.812 8.253 0.559 18019
2056 1 16 . 1 1 31 31 LEU N N 31 127.374 127.374 123.324 4.050 18019
2057 1 16 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.870 -0.037 18019
2058 1 16 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.245 1.747 18019
2059 1 16 . 1 1 31 31 LEU H H 31 9.161 9.161 9.135 0.026 18019
2060 1 16 . 1 1 32 32 VAL N N 32 119.330 119.330 119.711 -0.381 18019
2061 1 16 . 1 1 32 32 VAL HA H 32 3.922 3.922 3.973 -0.051 18019
2062 1 16 . 1 1 32 32 VAL CA C 32 64.622 64.622 61.700 2.922 18019
2063 1 16 . 1 1 32 32 VAL CB C 32 32.244 32.244 31.036 1.208 18019
2064 1 16 . 1 1 32 32 VAL H H 32 8.105 8.105 8.269 -0.164 18019
2065 1 17 . 1 1 2 2 CYS N N 2 117.089 117.089 116.608 0.481 18019
2066 1 17 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.783 0.085 18019
2067 1 17 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.787 -3.818 18019
2068 1 17 . 1 1 2 2 CYS H H 2 8.734 8.734 8.442 0.292 18019
2069 1 17 . 1 1 3 3 GLY N N 3 106.623 106.623 107.466 -0.843 18019
2070 1 17 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.036 2.387 18019
2071 1 17 . 1 1 3 3 GLY H H 3 9.036 9.036 8.111 0.925 18019
2072 1 17 . 1 1 4 4 HIS N N 4 126.621 126.621 116.447 10.174 18019
2073 1 17 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.498 -0.169 18019
2074 1 17 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.798 -0.381 18019
2075 1 17 . 1 1 4 4 HIS CB C 4 28.913 28.913 31.964 -3.051 18019
2076 1 17 . 1 1 4 4 HIS H H 4 9.430 9.430 7.535 1.895 18019
2077 1 17 . 1 1 5 5 LEU N N 5 121.401 121.401 119.531 1.870 18019
2078 1 17 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.117 -0.367 18019
2079 1 17 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.732 0.815 18019
2080 1 17 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.314 -0.859 18019
2081 1 17 . 1 1 5 5 LEU H H 5 8.382 8.382 8.301 0.081 18019
2082 1 17 . 1 1 6 6 HIS N N 6 116.370 116.370 113.025 3.345 18019
2083 1 17 . 1 1 6 6 HIS HA H 6 3.952 3.952 4.925 -0.973 18019
2084 1 17 . 1 1 6 6 HIS CA C 6 58.529 58.529 55.065 3.464 18019
2085 1 17 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.218 -1.421 18019
2086 1 17 . 1 1 6 6 HIS H H 6 9.611 9.611 8.179 1.432 18019
2087 1 17 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.928 0.026 18019
2088 1 17 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.251 1.095 18019
2089 1 17 . 1 1 7 7 ASP H H 7 8.793 8.793 7.293 1.500 18019
2090 1 17 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.504 0.426 18019
2091 1 17 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.710 -0.328 18019
2092 1 17 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.690 0.356 18019
2093 1 17 . 1 1 9 9 CYS N N 9 116.579 116.579 114.532 2.047 18019
2094 1 17 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.230 -0.024 18019
2095 1 17 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.462 -1.912 18019
2096 1 17 . 1 1 9 9 CYS CB C 9 43.049 43.049 27.055 15.994 18019
2097 1 17 . 1 1 9 9 CYS H H 9 8.235 8.235 8.473 -0.238 18019
2098 1 17 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.326 0.072 18019
2099 1 17 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.515 0.202 18019
2100 1 17 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.101 -0.220 18019
2101 1 17 . 1 1 11 11 ASN N N 11 116.436 116.436 118.007 -1.571 18019
2102 1 17 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.758 0.176 18019
2103 1 17 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.653 -0.270 18019
2104 1 17 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.012 0.957 18019
2105 1 17 . 1 1 11 11 ASN H H 11 8.901 8.901 8.200 0.701 18019
2106 1 17 . 1 1 12 12 ASP N N 12 121.980 121.980 120.851 1.129 18019
2107 1 17 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.487 0.523 18019
2108 1 17 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.850 0.435 18019
2109 1 17 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.103 3.862 18019
2110 1 17 . 1 1 12 12 ASP H H 12 7.045 7.045 7.499 -0.454 18019
2111 1 17 . 1 1 13 13 ARG N N 13 124.183 124.183 123.610 0.573 18019
2112 1 17 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.881 -0.044 18019
2113 1 17 . 1 1 13 13 ARG H H 13 8.214 8.214 7.834 0.380 18019
2114 1 17 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.377 -0.170 18019
2115 1 17 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.911 0.937 18019
2116 1 17 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.305 0.723 18019
2117 1 17 . 1 1 15 15 GLY N N 15 113.652 113.652 113.129 0.523 18019
2118 1 17 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.926 0.310 18019
2119 1 17 . 1 1 15 15 GLY H H 15 8.932 8.932 8.750 0.182 18019
2120 1 17 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.716 -0.077 18019
2121 1 17 . 1 1 16 16 HIS CA C 16 55.195 55.195 56.290 -1.095 18019
2122 1 17 . 1 1 16 16 HIS CB C 16 28.287 28.287 30.667 -2.380 18019
2123 1 17 . 1 1 16 16 HIS H H 16 8.764 8.764 7.840 0.924 18019
2124 1 17 . 1 1 17 17 ARG N N 17 123.881 123.881 124.581 -0.700 18019
2125 1 17 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.643 0.085 18019
2126 1 17 . 1 1 17 17 ARG H H 17 8.632 8.632 8.146 0.486 18019
2127 1 17 . 1 1 18 18 THR N N 18 114.176 114.176 111.355 2.821 18019
2128 1 17 . 1 1 18 18 THR HA H 18 4.496 4.496 4.373 0.123 18019
2129 1 17 . 1 1 18 18 THR CA C 18 62.491 62.491 61.628 0.863 18019
2130 1 17 . 1 1 18 18 THR H H 18 9.527 9.527 8.434 1.093 18019
2131 1 17 . 1 1 19 19 CYS N N 19 122.166 122.166 118.281 3.885 18019
2132 1 17 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.729 -0.010 18019
2133 1 17 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.628 -3.134 18019
2134 1 17 . 1 1 19 19 CYS CB C 19 38.212 38.212 29.044 9.168 18019
2135 1 17 . 1 1 19 19 CYS H H 19 8.132 8.132 7.606 0.526 18019
2136 1 17 . 1 1 20 20 CYS N N 20 123.615 123.615 121.537 2.078 18019
2137 1 17 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.504 -0.102 18019
2138 1 17 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.199 -4.898 18019
2139 1 17 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.610 10.069 18019
2140 1 17 . 1 1 20 20 CYS H H 20 10.015 10.015 8.678 1.337 18019
2141 1 17 . 1 1 21 21 ILE HA H 21 3.886 3.886 3.964 -0.078 18019
2142 1 17 . 1 1 21 21 ILE CA C 21 62.705 62.705 62.465 0.240 18019
2143 1 17 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.719 -1.264 18019
2144 1 17 . 1 1 21 21 ILE H H 21 8.097 8.097 8.413 -0.316 18019
2145 1 17 . 1 1 22 22 GLY N N 22 114.980 114.980 115.122 -0.142 18019
2146 1 17 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.381 -0.959 18019
2147 1 17 . 1 1 22 22 GLY H H 22 8.717 8.717 8.677 0.040 18019
2148 1 17 . 1 1 23 23 LEU N N 23 120.903 120.903 118.415 2.488 18019
2149 1 17 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.041 -0.064 18019
2150 1 17 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.361 -0.107 18019
2151 1 17 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.378 -2.171 18019
2152 1 17 . 1 1 23 23 LEU H H 23 8.066 8.066 7.389 0.677 18019
2153 1 17 . 1 1 24 24 GLN N N 24 118.630 118.630 117.570 1.060 18019
2154 1 17 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.605 -0.073 18019
2155 1 17 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.639 -0.893 18019
2156 1 17 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.389 -0.946 18019
2157 1 17 . 1 1 24 24 GLN H H 24 9.483 9.483 8.836 0.647 18019
2158 1 17 . 1 1 25 25 CYS N N 25 125.114 125.114 125.442 -0.328 18019
2159 1 17 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.217 -0.483 18019
2160 1 17 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.008 14.390 18019
2161 1 17 . 1 1 25 25 CYS H H 25 8.865 8.865 8.883 -0.018 18019
2162 1 17 . 1 1 26 26 ARG N N 26 133.389 133.389 127.326 6.063 18019
2163 1 17 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.461 -0.071 18019
2164 1 17 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.096 0.899 18019
2165 1 17 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.458 -0.945 18019
2166 1 17 . 1 1 26 26 ARG H H 26 9.517 9.517 9.206 0.311 18019
2167 1 17 . 1 1 27 27 TYR N N 27 122.855 122.855 118.939 3.916 18019
2168 1 17 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.247 -0.092 18019
2169 1 17 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.436 -0.516 18019
2170 1 17 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.343 0.107 18019
2171 1 17 . 1 1 27 27 TYR H H 27 8.949 8.949 8.498 0.451 18019
2172 1 17 . 1 1 28 28 GLY N N 28 102.916 102.916 103.294 -0.378 18019
2173 1 17 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.324 0.646 18019
2174 1 17 . 1 1 28 28 GLY H H 28 8.327 8.327 8.740 -0.413 18019
2175 1 17 . 1 1 29 29 LYS N N 29 122.470 122.470 118.183 4.287 18019
2176 1 17 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.701 0.381 18019
2177 1 17 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.869 -0.154 18019
2178 1 17 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.967 0.078 18019
2179 1 17 . 1 1 29 29 LYS H H 29 7.926 7.926 7.618 0.308 18019
2180 1 17 . 1 1 30 30 CYS N N 30 119.755 119.755 119.597 0.158 18019
2181 1 17 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.613 -0.768 18019
2182 1 17 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.400 -2.908 18019
2183 1 17 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.730 11.379 18019
2184 1 17 . 1 1 30 30 CYS H H 30 8.812 8.812 8.255 0.557 18019
2185 1 17 . 1 1 31 31 LEU N N 31 127.374 127.374 123.312 4.062 18019
2186 1 17 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.871 -0.038 18019
2187 1 17 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.311 1.681 18019
2188 1 17 . 1 1 31 31 LEU H H 31 9.161 9.161 9.128 0.033 18019
2189 1 17 . 1 1 32 32 VAL N N 32 119.330 119.330 119.562 -0.232 18019
2190 1 17 . 1 1 32 32 VAL HA H 32 3.922 3.922 3.955 -0.033 18019
2191 1 17 . 1 1 32 32 VAL CA C 32 64.622 64.622 62.236 2.386 18019
2192 1 17 . 1 1 32 32 VAL CB C 32 32.244 32.244 31.267 0.977 18019
2193 1 17 . 1 1 32 32 VAL H H 32 8.105 8.105 8.262 -0.157 18019
2194 1 18 . 1 1 2 2 CYS N N 2 117.089 117.089 116.340 0.749 18019
2195 1 18 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.825 0.043 18019
2196 1 18 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.610 -3.641 18019
2197 1 18 . 1 1 2 2 CYS H H 2 8.734 8.734 8.250 0.484 18019
2198 1 18 . 1 1 3 3 GLY N N 3 106.623 106.623 107.482 -0.859 18019
2199 1 18 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.041 2.382 18019
2200 1 18 . 1 1 3 3 GLY H H 3 9.036 9.036 8.121 0.915 18019
2201 1 18 . 1 1 4 4 HIS N N 4 126.621 126.621 116.456 10.165 18019
2202 1 18 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.497 -0.168 18019
2203 1 18 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.800 -0.383 18019
2204 1 18 . 1 1 4 4 HIS CB C 4 28.913 28.913 31.954 -3.042 18019
2205 1 18 . 1 1 4 4 HIS H H 4 9.430 9.430 7.533 1.897 18019
2206 1 18 . 1 1 5 5 LEU N N 5 121.401 121.401 119.527 1.874 18019
2207 1 18 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.118 -0.368 18019
2208 1 18 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.732 0.815 18019
2209 1 18 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.316 -0.861 18019
2210 1 18 . 1 1 5 5 LEU H H 5 8.382 8.382 8.299 0.083 18019
2211 1 18 . 1 1 6 6 HIS N N 6 116.370 116.370 113.426 2.944 18019
2212 1 18 . 1 1 6 6 HIS HA H 6 3.952 3.952 4.974 -1.022 18019
2213 1 18 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.316 4.213 18019
2214 1 18 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.503 -1.705 18019
2215 1 18 . 1 1 6 6 HIS H H 6 9.611 9.611 8.050 1.561 18019
2216 1 18 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.962 -0.008 18019
2217 1 18 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.160 1.186 18019
2218 1 18 . 1 1 7 7 ASP H H 7 8.793 8.793 7.450 1.343 18019
2219 1 18 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.468 0.462 18019
2220 1 18 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.711 -0.329 18019
2221 1 18 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.812 0.234 18019
2222 1 18 . 1 1 9 9 CYS N N 9 116.579 116.579 114.804 1.775 18019
2223 1 18 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.237 -0.031 18019
2224 1 18 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.274 -1.724 18019
2225 1 18 . 1 1 9 9 CYS CB C 9 43.049 43.049 26.721 16.328 18019
2226 1 18 . 1 1 9 9 CYS H H 9 8.235 8.235 8.336 -0.101 18019
2227 1 18 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.316 0.082 18019
2228 1 18 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.500 0.217 18019
2229 1 18 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.096 -0.215 18019
2230 1 18 . 1 1 11 11 ASN N N 11 116.436 116.436 117.597 -1.161 18019
2231 1 18 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.724 0.210 18019
2232 1 18 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.677 -0.294 18019
2233 1 18 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.093 0.876 18019
2234 1 18 . 1 1 11 11 ASN H H 11 8.901 8.901 8.192 0.709 18019
2235 1 18 . 1 1 12 12 ASP N N 12 121.980 121.980 121.262 0.718 18019
2236 1 18 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.449 0.561 18019
2237 1 18 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.796 0.489 18019
2238 1 18 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.166 3.800 18019
2239 1 18 . 1 1 12 12 ASP H H 12 7.045 7.045 7.533 -0.488 18019
2240 1 18 . 1 1 13 13 ARG N N 13 124.183 124.183 123.410 0.773 18019
2241 1 18 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.869 -0.032 18019
2242 1 18 . 1 1 13 13 ARG H H 13 8.214 8.214 7.811 0.403 18019
2243 1 18 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.372 -0.165 18019
2244 1 18 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.922 0.925 18019
2245 1 18 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.316 0.712 18019
2246 1 18 . 1 1 15 15 GLY N N 15 113.652 113.652 113.093 0.559 18019
2247 1 18 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.976 0.260 18019
2248 1 18 . 1 1 15 15 GLY H H 15 8.932 8.932 8.736 0.196 18019
2249 1 18 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.752 -0.113 18019
2250 1 18 . 1 1 16 16 HIS CA C 16 55.195 55.195 55.849 -0.654 18019
2251 1 18 . 1 1 16 16 HIS CB C 16 28.287 28.287 30.492 -2.205 18019
2252 1 18 . 1 1 16 16 HIS H H 16 8.764 8.764 7.865 0.899 18019
2253 1 18 . 1 1 17 17 ARG N N 17 123.881 123.881 124.854 -0.973 18019
2254 1 18 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.592 0.136 18019
2255 1 18 . 1 1 17 17 ARG H H 17 8.632 8.632 8.153 0.479 18019
2256 1 18 . 1 1 18 18 THR N N 18 114.176 114.176 110.706 3.470 18019
2257 1 18 . 1 1 18 18 THR HA H 18 4.496 4.496 4.293 0.203 18019
2258 1 18 . 1 1 18 18 THR CA C 18 62.491 62.491 61.883 0.608 18019
2259 1 18 . 1 1 18 18 THR H H 18 9.527 9.527 8.366 1.161 18019
2260 1 18 . 1 1 19 19 CYS N N 19 122.166 122.166 118.296 3.870 18019
2261 1 18 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.718 0.001 18019
2262 1 18 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.771 -3.277 18019
2263 1 18 . 1 1 19 19 CYS CB C 19 38.212 38.212 28.952 9.260 18019
2264 1 18 . 1 1 19 19 CYS H H 19 8.132 8.132 7.558 0.574 18019
2265 1 18 . 1 1 20 20 CYS N N 20 123.615 123.615 121.597 2.018 18019
2266 1 18 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.520 -0.118 18019
2267 1 18 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.228 -4.927 18019
2268 1 18 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.596 10.084 18019
2269 1 18 . 1 1 20 20 CYS H H 20 10.015 10.015 8.683 1.332 18019
2270 1 18 . 1 1 21 21 ILE HA H 21 3.886 3.886 3.978 -0.092 18019
2271 1 18 . 1 1 21 21 ILE CA C 21 62.705 62.705 62.459 0.246 18019
2272 1 18 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.739 -1.284 18019
2273 1 18 . 1 1 21 21 ILE H H 21 8.097 8.097 8.426 -0.329 18019
2274 1 18 . 1 1 22 22 GLY N N 22 114.980 114.980 115.109 -0.129 18019
2275 1 18 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.400 -0.978 18019
2276 1 18 . 1 1 22 22 GLY H H 22 8.717 8.717 8.685 0.032 18019
2277 1 18 . 1 1 23 23 LEU N N 23 120.903 120.903 118.477 2.426 18019
2278 1 18 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.058 -0.081 18019
2279 1 18 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.342 -0.088 18019
2280 1 18 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.294 -2.087 18019
2281 1 18 . 1 1 23 23 LEU H H 23 8.066 8.066 7.417 0.649 18019
2282 1 18 . 1 1 24 24 GLN N N 24 118.630 118.630 118.460 0.170 18019
2283 1 18 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.561 -0.029 18019
2284 1 18 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.615 -0.869 18019
2285 1 18 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.482 -1.039 18019
2286 1 18 . 1 1 24 24 GLN H H 24 9.483 9.483 9.004 0.479 18019
2287 1 18 . 1 1 25 25 CYS N N 25 125.114 125.114 125.250 -0.136 18019
2288 1 18 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.229 -0.495 18019
2289 1 18 . 1 1 25 25 CYS CB C 25 40.398 40.398 25.913 14.485 18019
2290 1 18 . 1 1 25 25 CYS H H 25 8.865 8.865 8.889 -0.024 18019
2291 1 18 . 1 1 26 26 ARG N N 26 133.389 133.389 127.819 5.570 18019
2292 1 18 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.483 -0.093 18019
2293 1 18 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.225 0.770 18019
2294 1 18 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.220 -0.707 18019
2295 1 18 . 1 1 26 26 ARG H H 26 9.517 9.517 9.199 0.318 18019
2296 1 18 . 1 1 27 27 TYR N N 27 122.855 122.855 118.784 4.071 18019
2297 1 18 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.208 -0.053 18019
2298 1 18 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.303 -0.383 18019
2299 1 18 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.113 0.337 18019
2300 1 18 . 1 1 27 27 TYR H H 27 8.949 8.949 8.766 0.183 18019
2301 1 18 . 1 1 28 28 GLY N N 28 102.916 102.916 102.961 -0.045 18019
2302 1 18 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.337 0.633 18019
2303 1 18 . 1 1 28 28 GLY H H 28 8.327 8.327 8.711 -0.384 18019
2304 1 18 . 1 1 29 29 LYS N N 29 122.470 122.470 118.174 4.296 18019
2305 1 18 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.696 0.386 18019
2306 1 18 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.838 -0.123 18019
2307 1 18 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.966 0.079 18019
2308 1 18 . 1 1 29 29 LYS H H 29 7.926 7.926 7.617 0.309 18019
2309 1 18 . 1 1 30 30 CYS N N 30 119.755 119.755 119.609 0.146 18019
2310 1 18 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.605 -0.760 18019
2311 1 18 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.418 -2.926 18019
2312 1 18 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.709 11.400 18019
2313 1 18 . 1 1 30 30 CYS H H 30 8.812 8.812 8.253 0.559 18019
2314 1 18 . 1 1 31 31 LEU N N 31 127.374 127.374 123.233 4.141 18019
2315 1 18 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.885 -0.052 18019
2316 1 18 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.256 1.736 18019
2317 1 18 . 1 1 31 31 LEU H H 31 9.161 9.161 9.144 0.017 18019
2318 1 18 . 1 1 32 32 VAL N N 32 119.330 119.330 119.820 -0.490 18019
2319 1 18 . 1 1 32 32 VAL HA H 32 3.922 3.922 3.890 0.032 18019
2320 1 18 . 1 1 32 32 VAL CA C 32 64.622 64.622 62.820 1.802 18019
2321 1 18 . 1 1 32 32 VAL CB C 32 32.244 32.244 31.145 1.099 18019
2322 1 18 . 1 1 32 32 VAL H H 32 8.105 8.105 8.311 -0.206 18019
2323 1 19 . 1 1 2 2 CYS N N 2 117.089 117.089 116.989 0.100 18019
2324 1 19 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.771 0.097 18019
2325 1 19 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.701 -3.732 18019
2326 1 19 . 1 1 2 2 CYS H H 2 8.734 8.734 8.033 0.701 18019
2327 1 19 . 1 1 3 3 GLY N N 3 106.623 106.623 107.272 -0.649 18019
2328 1 19 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.163 2.260 18019
2329 1 19 . 1 1 3 3 GLY H H 3 9.036 9.036 8.179 0.857 18019
2330 1 19 . 1 1 4 4 HIS N N 4 126.621 126.621 116.589 10.032 18019
2331 1 19 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.507 -0.178 18019
2332 1 19 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.918 -0.501 18019
2333 1 19 . 1 1 4 4 HIS CB C 4 28.913 28.913 31.993 -3.080 18019
2334 1 19 . 1 1 4 4 HIS H H 4 9.430 9.430 7.556 1.874 18019
2335 1 19 . 1 1 5 5 LEU N N 5 121.401 121.401 119.527 1.874 18019
2336 1 19 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.126 -0.376 18019
2337 1 19 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.763 0.784 18019
2338 1 19 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.321 -0.866 18019
2339 1 19 . 1 1 5 5 LEU H H 5 8.382 8.382 8.303 0.079 18019
2340 1 19 . 1 1 6 6 HIS N N 6 116.370 116.370 113.510 2.860 18019
2341 1 19 . 1 1 6 6 HIS HA H 6 3.952 3.952 5.003 -1.051 18019
2342 1 19 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.273 4.256 18019
2343 1 19 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.534 -1.736 18019
2344 1 19 . 1 1 6 6 HIS H H 6 9.611 9.611 8.038 1.573 18019
2345 1 19 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.964 -0.010 18019
2346 1 19 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.234 1.112 18019
2347 1 19 . 1 1 7 7 ASP H H 7 8.793 8.793 7.485 1.308 18019
2348 1 19 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.507 0.423 18019
2349 1 19 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.762 -0.380 18019
2350 1 19 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.541 0.505 18019
2351 1 19 . 1 1 9 9 CYS N N 9 116.579 116.579 115.940 0.639 18019
2352 1 19 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.277 -0.071 18019
2353 1 19 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.364 -1.814 18019
2354 1 19 . 1 1 9 9 CYS CB C 9 43.049 43.049 26.977 16.073 18019
2355 1 19 . 1 1 9 9 CYS H H 9 8.235 8.235 8.488 -0.253 18019
2356 1 19 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.319 0.079 18019
2357 1 19 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.454 0.263 18019
2358 1 19 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.084 -0.203 18019
2359 1 19 . 1 1 11 11 ASN N N 11 116.436 116.436 117.550 -1.114 18019
2360 1 19 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.721 0.213 18019
2361 1 19 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.710 -0.327 18019
2362 1 19 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.121 0.848 18019
2363 1 19 . 1 1 11 11 ASN H H 11 8.901 8.901 8.204 0.697 18019
2364 1 19 . 1 1 12 12 ASP N N 12 121.980 121.980 121.239 0.741 18019
2365 1 19 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.453 0.557 18019
2366 1 19 . 1 1 12 12 ASP CA C 12 55.285 55.285 55.031 0.254 18019
2367 1 19 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.160 3.805 18019
2368 1 19 . 1 1 12 12 ASP H H 12 7.045 7.045 7.516 -0.471 18019
2369 1 19 . 1 1 13 13 ARG N N 13 124.183 124.183 125.102 -0.919 18019
2370 1 19 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.819 0.018 18019
2371 1 19 . 1 1 13 13 ARG H H 13 8.214 8.214 7.806 0.408 18019
2372 1 19 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.346 -0.139 18019
2373 1 19 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.758 1.089 18019
2374 1 19 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.228 0.800 18019
2375 1 19 . 1 1 15 15 GLY N N 15 113.652 113.652 112.998 0.654 18019
2376 1 19 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.888 0.348 18019
2377 1 19 . 1 1 15 15 GLY H H 15 8.932 8.932 8.644 0.288 18019
2378 1 19 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.730 -0.091 18019
2379 1 19 . 1 1 16 16 HIS CA C 16 55.195 55.195 55.847 -0.652 18019
2380 1 19 . 1 1 16 16 HIS CB C 16 28.287 28.287 31.164 -2.877 18019
2381 1 19 . 1 1 16 16 HIS H H 16 8.764 8.764 7.881 0.883 18019
2382 1 19 . 1 1 17 17 ARG N N 17 123.881 123.881 123.252 0.629 18019
2383 1 19 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.658 0.070 18019
2384 1 19 . 1 1 17 17 ARG H H 17 8.632 8.632 8.239 0.393 18019
2385 1 19 . 1 1 18 18 THR N N 18 114.176 114.176 110.773 3.403 18019
2386 1 19 . 1 1 18 18 THR HA H 18 4.496 4.496 4.444 0.052 18019
2387 1 19 . 1 1 18 18 THR CA C 18 62.491 62.491 62.036 0.455 18019
2388 1 19 . 1 1 18 18 THR H H 18 9.527 9.527 8.452 1.075 18019
2389 1 19 . 1 1 19 19 CYS N N 19 122.166 122.166 118.331 3.835 18019
2390 1 19 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.768 -0.049 18019
2391 1 19 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.856 -3.362 18019
2392 1 19 . 1 1 19 19 CYS CB C 19 38.212 38.212 29.110 9.102 18019
2393 1 19 . 1 1 19 19 CYS H H 19 8.132 8.132 7.661 0.471 18019
2394 1 19 . 1 1 20 20 CYS N N 20 123.615 123.615 121.057 2.558 18019
2395 1 19 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.533 -0.131 18019
2396 1 19 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.257 -4.956 18019
2397 1 19 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.881 9.799 18019
2398 1 19 . 1 1 20 20 CYS H H 20 10.015 10.015 8.672 1.343 18019
2399 1 19 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.020 -0.134 18019
2400 1 19 . 1 1 21 21 ILE CA C 21 62.705 62.705 63.294 -0.589 18019
2401 1 19 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.575 -1.120 18019
2402 1 19 . 1 1 21 21 ILE H H 21 8.097 8.097 8.773 -0.676 18019
2403 1 19 . 1 1 22 22 GLY N N 22 114.980 114.980 115.233 -0.253 18019
2404 1 19 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.142 -0.720 18019
2405 1 19 . 1 1 22 22 GLY H H 22 8.717 8.717 8.549 0.168 18019
2406 1 19 . 1 1 23 23 LEU N N 23 120.903 120.903 118.379 2.524 18019
2407 1 19 . 1 1 23 23 LEU HA H 23 4.977 4.977 4.979 -0.002 18019
2408 1 19 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.460 -0.206 18019
2409 1 19 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.377 -2.170 18019
2410 1 19 . 1 1 23 23 LEU H H 23 8.066 8.066 7.478 0.588 18019
2411 1 19 . 1 1 24 24 GLN N N 24 118.630 118.630 118.246 0.384 18019
2412 1 19 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.584 -0.052 18019
2413 1 19 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.665 -0.919 18019
2414 1 19 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.454 -1.011 18019
2415 1 19 . 1 1 24 24 GLN H H 24 9.483 9.483 8.842 0.641 18019
2416 1 19 . 1 1 25 25 CYS N N 25 125.114 125.114 125.572 -0.458 18019
2417 1 19 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.244 -0.510 18019
2418 1 19 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.036 14.362 18019
2419 1 19 . 1 1 25 25 CYS H H 25 8.865 8.865 8.871 -0.006 18019
2420 1 19 . 1 1 26 26 ARG N N 26 133.389 133.389 127.226 6.163 18019
2421 1 19 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.489 -0.099 18019
2422 1 19 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.169 0.826 18019
2423 1 19 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.415 -0.902 18019
2424 1 19 . 1 1 26 26 ARG H H 26 9.517 9.517 9.180 0.337 18019
2425 1 19 . 1 1 27 27 TYR N N 27 122.855 122.855 118.865 3.990 18019
2426 1 19 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.192 -0.037 18019
2427 1 19 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.182 -0.262 18019
2428 1 19 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.378 0.072 18019
2429 1 19 . 1 1 27 27 TYR H H 27 8.949 8.949 8.834 0.115 18019
2430 1 19 . 1 1 28 28 GLY N N 28 102.916 102.916 103.400 -0.484 18019
2431 1 19 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.443 0.527 18019
2432 1 19 . 1 1 28 28 GLY H H 28 8.327 8.327 8.734 -0.407 18019
2433 1 19 . 1 1 29 29 LYS N N 29 122.470 122.470 118.216 4.254 18019
2434 1 19 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.701 0.381 18019
2435 1 19 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.892 -0.177 18019
2436 1 19 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.989 0.056 18019
2437 1 19 . 1 1 29 29 LYS H H 29 7.926 7.926 7.615 0.311 18019
2438 1 19 . 1 1 30 30 CYS N N 30 119.755 119.755 119.902 -0.147 18019
2439 1 19 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.577 -0.732 18019
2440 1 19 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.518 -3.026 18019
2441 1 19 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.589 11.520 18019
2442 1 19 . 1 1 30 30 CYS H H 30 8.812 8.812 8.277 0.535 18019
2443 1 19 . 1 1 31 31 LEU N N 31 127.374 127.374 123.358 4.016 18019
2444 1 19 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.886 -0.053 18019
2445 1 19 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.518 1.474 18019
2446 1 19 . 1 1 31 31 LEU H H 31 9.161 9.161 9.147 0.014 18019
2447 1 19 . 1 1 32 32 VAL N N 32 119.330 119.330 119.740 -0.410 18019
2448 1 19 . 1 1 32 32 VAL HA H 32 3.922 3.922 3.923 -0.001 18019
2449 1 19 . 1 1 32 32 VAL CA C 32 64.622 64.622 62.263 2.359 18019
2450 1 19 . 1 1 32 32 VAL CB C 32 32.244 32.244 32.155 0.089 18019
2451 1 19 . 1 1 32 32 VAL H H 32 8.105 8.105 8.316 -0.211 18019
2452 1 20 . 1 1 2 2 CYS N N 2 117.089 117.089 117.212 -0.123 18019
2453 1 20 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.774 0.094 18019
2454 1 20 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.579 -3.610 18019
2455 1 20 . 1 1 2 2 CYS H H 2 8.734 8.734 8.482 0.252 18019
2456 1 20 . 1 1 3 3 GLY N N 3 106.623 106.623 107.402 -0.779 18019
2457 1 20 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.152 2.271 18019
2458 1 20 . 1 1 3 3 GLY H H 3 9.036 9.036 8.243 0.793 18019
2459 1 20 . 1 1 4 4 HIS N N 4 126.621 126.621 116.579 10.042 18019
2460 1 20 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.500 -0.171 18019
2461 1 20 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.911 -0.494 18019
2462 1 20 . 1 1 4 4 HIS CB C 4 28.913 28.913 31.979 -3.066 18019
2463 1 20 . 1 1 4 4 HIS H H 4 9.430 9.430 7.540 1.890 18019
2464 1 20 . 1 1 5 5 LEU N N 5 121.401 121.401 119.509 1.892 18019
2465 1 20 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.120 -0.370 18019
2466 1 20 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.740 0.807 18019
2467 1 20 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.332 -0.877 18019
2468 1 20 . 1 1 5 5 LEU H H 5 8.382 8.382 8.296 0.086 18019
2469 1 20 . 1 1 6 6 HIS N N 6 116.370 116.370 113.018 3.352 18019
2470 1 20 . 1 1 6 6 HIS HA H 6 3.952 3.952 5.008 -1.056 18019
2471 1 20 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.594 3.935 18019
2472 1 20 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.423 -1.625 18019
2473 1 20 . 1 1 6 6 HIS H H 6 9.611 9.611 8.141 1.470 18019
2474 1 20 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.895 0.059 18019
2475 1 20 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.139 1.207 18019
2476 1 20 . 1 1 7 7 ASP H H 7 8.793 8.793 7.276 1.517 18019
2477 1 20 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.469 0.461 18019
2478 1 20 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.718 -0.336 18019
2479 1 20 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.713 0.333 18019
2480 1 20 . 1 1 9 9 CYS N N 9 116.579 116.579 115.761 0.818 18019
2481 1 20 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.261 -0.055 18019
2482 1 20 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.158 -1.608 18019
2483 1 20 . 1 1 9 9 CYS CB C 9 43.049 43.049 26.681 16.368 18019
2484 1 20 . 1 1 9 9 CYS H H 9 8.235 8.235 8.312 -0.077 18019
2485 1 20 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.322 0.076 18019
2486 1 20 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.509 0.208 18019
2487 1 20 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.084 -0.203 18019
2488 1 20 . 1 1 11 11 ASN N N 11 116.436 116.436 117.554 -1.118 18019
2489 1 20 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.739 0.195 18019
2490 1 20 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.682 -0.299 18019
2491 1 20 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.023 0.946 18019
2492 1 20 . 1 1 11 11 ASN H H 11 8.901 8.901 8.213 0.688 18019
2493 1 20 . 1 1 12 12 ASP N N 12 121.980 121.980 121.209 0.771 18019
2494 1 20 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.422 0.588 18019
2495 1 20 . 1 1 12 12 ASP CA C 12 55.285 55.285 55.039 0.246 18019
2496 1 20 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.229 3.736 18019
2497 1 20 . 1 1 12 12 ASP H H 12 7.045 7.045 7.508 -0.463 18019
2498 1 20 . 1 1 13 13 ARG N N 13 124.183 124.183 125.014 -0.831 18019
2499 1 20 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.812 0.025 18019
2500 1 20 . 1 1 13 13 ARG H H 13 8.214 8.214 7.774 0.440 18019
2501 1 20 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.368 -0.161 18019
2502 1 20 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.783 1.065 18019
2503 1 20 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.260 0.768 18019
2504 1 20 . 1 1 15 15 GLY N N 15 113.652 113.652 113.113 0.539 18019
2505 1 20 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.952 0.284 18019
2506 1 20 . 1 1 15 15 GLY H H 15 8.932 8.932 8.747 0.185 18019
2507 1 20 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.739 -0.100 18019
2508 1 20 . 1 1 16 16 HIS CA C 16 55.195 55.195 56.115 -0.920 18019
2509 1 20 . 1 1 16 16 HIS CB C 16 28.287 28.287 30.622 -2.335 18019
2510 1 20 . 1 1 16 16 HIS H H 16 8.764 8.764 7.855 0.909 18019
2511 1 20 . 1 1 17 17 ARG N N 17 123.881 123.881 124.608 -0.727 18019
2512 1 20 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.588 0.140 18019
2513 1 20 . 1 1 17 17 ARG H H 17 8.632 8.632 8.118 0.514 18019
2514 1 20 . 1 1 18 18 THR N N 18 114.176 114.176 110.731 3.445 18019
2515 1 20 . 1 1 18 18 THR HA H 18 4.496 4.496 4.332 0.164 18019
2516 1 20 . 1 1 18 18 THR CA C 18 62.491 62.491 61.948 0.543 18019
2517 1 20 . 1 1 18 18 THR H H 18 9.527 9.527 8.378 1.149 18019
2518 1 20 . 1 1 19 19 CYS N N 19 122.166 122.166 118.285 3.881 18019
2519 1 20 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.730 -0.011 18019
2520 1 20 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.810 -3.316 18019
2521 1 20 . 1 1 19 19 CYS CB C 19 38.212 38.212 28.912 9.300 18019
2522 1 20 . 1 1 19 19 CYS H H 19 8.132 8.132 7.568 0.564 18019
2523 1 20 . 1 1 20 20 CYS N N 20 123.615 123.615 121.471 2.144 18019
2524 1 20 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.490 -0.088 18019
2525 1 20 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.413 -5.112 18019
2526 1 20 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.745 9.934 18019
2527 1 20 . 1 1 20 20 CYS H H 20 10.015 10.015 8.669 1.346 18019
2528 1 20 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.018 -0.132 18019
2529 1 20 . 1 1 21 21 ILE CA C 21 62.705 62.705 63.316 -0.611 18019
2530 1 20 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.632 -1.177 18019
2531 1 20 . 1 1 21 21 ILE H H 21 8.097 8.097 8.737 -0.640 18019
2532 1 20 . 1 1 22 22 GLY N N 22 114.980 114.980 115.059 -0.079 18019
2533 1 20 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.178 -0.756 18019
2534 1 20 . 1 1 22 22 GLY H H 22 8.717 8.717 8.545 0.172 18019
2535 1 20 . 1 1 23 23 LEU N N 23 120.903 120.903 118.178 2.725 18019
2536 1 20 . 1 1 23 23 LEU HA H 23 4.977 4.977 4.999 -0.022 18019
2537 1 20 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.368 -0.114 18019
2538 1 20 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.261 -2.054 18019
2539 1 20 . 1 1 23 23 LEU H H 23 8.066 8.066 7.453 0.613 18019
2540 1 20 . 1 1 24 24 GLN N N 24 118.630 118.630 117.616 1.014 18019
2541 1 20 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.580 -0.048 18019
2542 1 20 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.632 -0.886 18019
2543 1 20 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.316 -0.873 18019
2544 1 20 . 1 1 24 24 GLN H H 24 9.483 9.483 8.762 0.721 18019
2545 1 20 . 1 1 25 25 CYS N N 25 125.114 125.114 125.323 -0.209 18019
2546 1 20 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.293 -0.559 18019
2547 1 20 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.246 14.152 18019
2548 1 20 . 1 1 25 25 CYS H H 25 8.865 8.865 8.871 -0.006 18019
2549 1 20 . 1 1 26 26 ARG N N 26 133.389 133.389 127.961 5.428 18019
2550 1 20 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.481 -0.091 18019
2551 1 20 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.557 0.438 18019
2552 1 20 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.735 -1.222 18019
2553 1 20 . 1 1 26 26 ARG H H 26 9.517 9.517 9.217 0.300 18019
2554 1 20 . 1 1 27 27 TYR N N 27 122.855 122.855 119.054 3.801 18019
2555 1 20 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.246 -0.091 18019
2556 1 20 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.435 -0.515 18019
2557 1 20 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.350 0.100 18019
2558 1 20 . 1 1 27 27 TYR H H 27 8.949 8.949 8.498 0.451 18019
2559 1 20 . 1 1 28 28 GLY N N 28 102.916 102.916 103.405 -0.489 18019
2560 1 20 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.296 0.674 18019
2561 1 20 . 1 1 28 28 GLY H H 28 8.327 8.327 8.734 -0.407 18019
2562 1 20 . 1 1 29 29 LYS N N 29 122.470 122.470 118.224 4.246 18019
2563 1 20 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.693 0.389 18019
2564 1 20 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.820 -0.105 18019
2565 1 20 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.969 0.076 18019
2566 1 20 . 1 1 29 29 LYS H H 29 7.926 7.926 7.621 0.305 18019
2567 1 20 . 1 1 30 30 CYS N N 30 119.755 119.755 119.703 0.052 18019
2568 1 20 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.597 -0.752 18019
2569 1 20 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.482 -2.990 18019
2570 1 20 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.628 11.480 18019
2571 1 20 . 1 1 30 30 CYS H H 30 8.812 8.812 8.268 0.544 18019
2572 1 20 . 1 1 31 31 LEU N N 31 127.374 127.374 123.336 4.038 18019
2573 1 20 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.882 -0.049 18019
2574 1 20 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.528 1.464 18019
2575 1 20 . 1 1 31 31 LEU H H 31 9.161 9.161 9.146 0.015 18019
2576 1 20 . 1 1 32 32 VAL N N 32 119.330 119.330 120.067 -0.737 18019
2577 1 20 . 1 1 32 32 VAL HA H 32 3.922 3.922 3.983 -0.061 18019
2578 1 20 . 1 1 32 32 VAL CA C 32 64.622 64.622 62.117 2.505 18019
2579 1 20 . 1 1 32 32 VAL CB C 32 32.244 32.244 32.067 0.177 18019
2580 1 20 . 1 1 32 32 VAL H H 32 8.105 8.105 8.292 -0.187 18019
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 25 3.110 -1.821 2.573 18019
2 1 1 "Average Difference" HA 35 0.354 0.018 0.359 18019
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18019
4 1 1 "Average Difference" CA 27 1.914 0.289 1.928 18019
5 1 1 "Average Difference" CB 22 6.146 -2.515 5.739 18019
6 1 1 "Average Difference" HN 28 0.761 -0.471 0.609 18019
7 1 2 "Average Difference" N 25 3.094 -1.846 2.534 18019
8 1 2 "Average Difference" HA 35 0.352 0.020 0.356 18019
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18019
10 1 2 "Average Difference" CA 27 1.871 0.270 1.887 18019
11 1 2 "Average Difference" CB 22 6.113 -2.509 5.706 18019
12 1 2 "Average Difference" HN 28 0.755 -0.454 0.615 18019
13 1 3 "Average Difference" N 25 3.084 -1.856 2.514 18019
14 1 3 "Average Difference" HA 35 0.359 0.026 0.364 18019
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18019
16 1 3 "Average Difference" CA 27 1.940 0.242 1.962 18019
17 1 3 "Average Difference" CB 22 6.142 -2.471 5.755 18019
18 1 3 "Average Difference" HN 28 0.739 -0.445 0.601 18019
19 1 4 "Average Difference" N 25 3.126 -1.889 2.543 18019
20 1 4 "Average Difference" HA 35 0.361 0.026 0.366 18019
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18019
22 1 4 "Average Difference" CA 27 1.990 0.212 2.016 18019
23 1 4 "Average Difference" CB 22 6.134 -2.507 5.730 18019
24 1 4 "Average Difference" HN 28 0.774 -0.477 0.621 18019
25 1 5 "Average Difference" N 25 3.123 -1.830 2.583 18019
26 1 5 "Average Difference" HA 35 0.357 0.022 0.361 18019
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18019
28 1 5 "Average Difference" CA 27 1.889 0.208 1.913 18019
29 1 5 "Average Difference" CB 22 6.144 -2.528 5.732 18019
30 1 5 "Average Difference" HN 28 0.774 -0.490 0.610 18019
31 1 6 "Average Difference" N 25 3.083 -1.794 2.559 18019
32 1 6 "Average Difference" HA 35 0.355 0.016 0.359 18019
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18019
34 1 6 "Average Difference" CA 27 1.926 0.229 1.949 18019
35 1 6 "Average Difference" CB 22 6.161 -2.493 5.767 18019
36 1 6 "Average Difference" HN 28 0.778 -0.480 0.624 18019
37 1 7 "Average Difference" N 25 3.081 -1.719 2.610 18019
38 1 7 "Average Difference" HA 35 0.351 0.028 0.355 18019
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18019
40 1 7 "Average Difference" CA 27 1.995 0.212 2.022 18019
41 1 7 "Average Difference" CB 22 6.084 -2.532 5.662 18019
42 1 7 "Average Difference" HN 28 0.756 -0.462 0.609 18019
43 1 8 "Average Difference" N 25 3.120 -1.838 2.573 18019
44 1 8 "Average Difference" HA 35 0.353 0.019 0.357 18019
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18019
46 1 8 "Average Difference" CA 27 1.944 0.214 1.969 18019
47 1 8 "Average Difference" CB 22 6.097 -2.523 5.681 18019
48 1 8 "Average Difference" HN 28 0.752 -0.456 0.608 18019
49 1 9 "Average Difference" N 25 3.070 -1.862 2.491 18019
50 1 9 "Average Difference" HA 35 0.359 0.025 0.364 18019
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18019
52 1 9 "Average Difference" CA 27 1.946 0.253 1.966 18019
53 1 9 "Average Difference" CB 22 6.137 -2.487 5.743 18019
54 1 9 "Average Difference" HN 28 0.764 -0.475 0.609 18019
55 1 10 "Average Difference" N 25 3.093 -1.833 2.542 18019
56 1 10 "Average Difference" HA 35 0.355 0.029 0.359 18019
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18019
58 1 10 "Average Difference" CA 27 1.975 0.233 1.998 18019
59 1 10 "Average Difference" CB 22 6.088 -2.479 5.691 18019
60 1 10 "Average Difference" HN 28 0.743 -0.452 0.601 18019
61 1 11 "Average Difference" N 25 3.177 -1.869 2.623 18019
62 1 11 "Average Difference" HA 35 0.357 0.029 0.361 18019
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18019
64 1 11 "Average Difference" CA 27 1.918 0.202 1.943 18019
65 1 11 "Average Difference" CB 22 6.094 -2.444 5.713 18019
66 1 11 "Average Difference" HN 28 0.757 -0.478 0.598 18019
67 1 12 "Average Difference" N 25 3.167 -1.907 2.580 18019
68 1 12 "Average Difference" HA 35 0.363 0.031 0.367 18019
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18019
70 1 12 "Average Difference" CA 27 1.946 0.218 1.971 18019
71 1 12 "Average Difference" CB 22 6.107 -2.439 5.731 18019
72 1 12 "Average Difference" HN 28 0.752 -0.465 0.602 18019
73 1 13 "Average Difference" N 25 3.189 -1.984 2.548 18019
74 1 13 "Average Difference" HA 35 0.353 0.032 0.356 18019
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18019
76 1 13 "Average Difference" CA 27 1.831 0.257 1.847 18019
77 1 13 "Average Difference" CB 22 6.121 -2.483 5.726 18019
78 1 13 "Average Difference" HN 28 0.777 -0.499 0.607 18019
79 1 14 "Average Difference" N 25 3.075 -1.730 2.594 18019
80 1 14 "Average Difference" HA 35 0.348 0.009 0.353 18019
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18019
82 1 14 "Average Difference" CA 27 1.947 0.237 1.969 18019
83 1 14 "Average Difference" CB 22 6.109 -2.539 5.687 18019
84 1 14 "Average Difference" HN 28 0.764 -0.471 0.613 18019
85 1 15 "Average Difference" N 25 3.093 -1.827 2.548 18019
86 1 15 "Average Difference" HA 35 0.355 0.015 0.360 18019
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18019
88 1 15 "Average Difference" CA 27 1.906 0.270 1.923 18019
89 1 15 "Average Difference" CB 22 6.174 -2.540 5.759 18019
90 1 15 "Average Difference" HN 28 0.765 -0.487 0.600 18019
91 1 16 "Average Difference" N 25 3.171 -1.888 2.600 18019
92 1 16 "Average Difference" HA 35 0.335 0.015 0.339 18019
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18019
94 1 16 "Average Difference" CA 27 1.959 0.217 1.984 18019
95 1 16 "Average Difference" CB 22 6.113 -2.566 5.679 18019
96 1 16 "Average Difference" HN 28 0.767 -0.480 0.609 18019
97 1 17 "Average Difference" N 25 3.163 -1.871 2.604 18019
98 1 17 "Average Difference" HA 35 0.329 0.018 0.333 18019
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18019
100 1 17 "Average Difference" CA 27 1.851 0.248 1.870 18019
101 1 17 "Average Difference" CB 22 6.120 -2.568 5.686 18019
102 1 17 "Average Difference" HN 28 0.756 -0.471 0.602 18019
103 1 18 "Average Difference" N 25 3.125 -1.838 2.580 18019
104 1 18 "Average Difference" HA 35 0.337 0.014 0.342 18019
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18019
106 1 18 "Average Difference" CA 27 1.864 0.224 1.886 18019
107 1 18 "Average Difference" CB 22 6.176 -2.604 5.733 18019
108 1 18 "Average Difference" HN 28 0.752 -0.466 0.601 18019
109 1 19 "Average Difference" N 25 3.129 -1.769 2.635 18019
110 1 19 "Average Difference" HA 35 0.349 0.006 0.354 18019
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18019
112 1 19 "Average Difference" CA 27 1.908 0.263 1.926 18019
113 1 19 "Average Difference" CB 22 6.119 -2.479 5.726 18019
114 1 19 "Average Difference" HN 28 0.757 -0.451 0.618 18019
115 1 20 "Average Difference" N 25 3.094 -1.724 2.623 18019
116 1 20 "Average Difference" HA 35 0.352 0.004 0.357 18019
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18019
118 1 20 "Average Difference" CA 27 1.888 0.277 1.904 18019
119 1 20 "Average Difference" CB 22 6.139 -2.518 5.730 18019
120 1 20 "Average Difference" HN 28 0.766 -0.469 0.616 18019
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 18019
_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 2 117.089 117.089 116.228 0.861 18019
2 1 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.788 0.080 18019
3 1 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.744 -3.775 18019
4 1 . 1 1 2 2 CYS H H 2 8.734 8.734 8.132 0.602 18019
5 1 . 1 1 3 3 GLY N N 3 106.623 106.623 107.436 -0.813 18019
6 1 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.071 2.352 18019
7 1 . 1 1 3 3 GLY H H 3 9.036 9.036 8.190 0.846 18019
8 1 . 1 1 4 4 HIS N N 4 126.621 126.621 116.436 10.185 18019
9 1 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.501 -0.172 18019
10 1 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.813 -0.396 18019
11 1 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.004 -3.091 18019
12 1 . 1 1 4 4 HIS H H 4 9.430 9.430 7.563 1.867 18019
13 1 . 1 1 5 5 LEU N N 5 121.401 121.401 119.457 1.944 18019
14 1 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.124 -0.374 18019
15 1 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.716 0.831 18019
16 1 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.363 -0.908 18019
17 1 . 1 1 5 5 LEU H H 5 8.382 8.382 8.303 0.079 18019
18 1 . 1 1 6 6 HIS N N 6 116.370 116.370 113.149 3.221 18019
19 1 . 1 1 6 6 HIS HA H 6 3.952 3.952 5.004 -1.052 18019
20 1 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.483 4.046 18019
21 1 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.459 -1.661 18019
22 1 . 1 1 6 6 HIS H H 6 9.611 9.611 8.105 1.506 18019
23 1 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.948 0.005 18019
24 1 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.162 1.184 18019
25 1 . 1 1 7 7 ASP H H 7 8.793 8.793 7.380 1.413 18019
26 1 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.489 0.441 18019
27 1 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.722 -0.340 18019
28 1 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.707 0.339 18019
29 1 . 1 1 9 9 CYS N N 9 116.579 116.579 115.016 1.563 18019
30 1 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.246 -0.040 18019
31 1 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.362 -1.812 18019
32 1 . 1 1 9 9 CYS CB C 9 43.049 43.049 26.885 16.164 18019
33 1 . 1 1 9 9 CYS H H 9 8.235 8.235 8.391 -0.156 18019
34 1 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.326 0.072 18019
35 1 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.469 0.248 18019
36 1 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.083 -0.202 18019
37 1 . 1 1 11 11 ASN N N 11 116.436 116.436 117.782 -1.346 18019
38 1 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.741 0.193 18019
39 1 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.681 -0.298 18019
40 1 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.094 0.875 18019
41 1 . 1 1 11 11 ASN H H 11 8.901 8.901 8.215 0.686 18019
42 1 . 1 1 12 12 ASP N N 12 121.980 121.980 121.191 0.789 18019
43 1 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.476 0.534 18019
44 1 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.842 0.443 18019
45 1 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.129 3.836 18019
46 1 . 1 1 12 12 ASP H H 12 7.045 7.045 7.544 -0.499 18019
47 1 . 1 1 13 13 ARG N N 13 124.183 124.183 123.856 0.327 18019
48 1 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.860 -0.023 18019
49 1 . 1 1 13 13 ARG H H 13 8.214 8.214 7.827 0.387 18019
50 1 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.367 -0.160 18019
51 1 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.887 0.960 18019
52 1 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.292 0.736 18019
53 1 . 1 1 15 15 GLY N N 15 113.652 113.652 113.069 0.583 18019
54 1 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.929 0.307 18019
55 1 . 1 1 15 15 GLY H H 15 8.932 8.932 8.715 0.217 18019
56 1 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.728 -0.089 18019
57 1 . 1 1 16 16 HIS CA C 16 55.195 55.195 56.084 -0.889 18019
58 1 . 1 1 16 16 HIS CB C 16 28.287 28.287 30.835 -2.548 18019
59 1 . 1 1 16 16 HIS H H 16 8.764 8.764 7.859 0.905 18019
60 1 . 1 1 17 17 ARG N N 17 123.881 123.881 124.448 -0.567 18019
61 1 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.645 0.083 18019
62 1 . 1 1 17 17 ARG H H 17 8.632 8.632 8.225 0.407 18019
63 1 . 1 1 18 18 THR N N 18 114.176 114.176 111.182 2.994 18019
64 1 . 1 1 18 18 THR HA H 18 4.496 4.496 4.363 0.133 18019
65 1 . 1 1 18 18 THR CA C 18 62.491 62.491 61.831 0.660 18019
66 1 . 1 1 18 18 THR H H 18 9.527 9.527 8.394 1.133 18019
67 1 . 1 1 19 19 CYS N N 19 122.166 122.166 118.388 3.778 18019
68 1 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.726 -0.007 18019
69 1 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.663 -3.169 18019
70 1 . 1 1 19 19 CYS CB C 19 38.212 38.212 28.987 9.225 18019
71 1 . 1 1 19 19 CYS H H 19 8.132 8.132 7.590 0.542 18019
72 1 . 1 1 20 20 CYS N N 20 123.615 123.615 121.809 1.806 18019
73 1 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.506 -0.104 18019
74 1 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.324 -5.023 18019
75 1 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.631 10.048 18019
76 1 . 1 1 20 20 CYS H H 20 10.015 10.015 8.696 1.319 18019
77 1 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.012 -0.126 18019
78 1 . 1 1 21 21 ILE CA C 21 62.705 62.705 62.987 -0.282 18019
79 1 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.670 -1.215 18019
80 1 . 1 1 21 21 ILE H H 21 8.097 8.097 8.608 -0.511 18019
81 1 . 1 1 22 22 GLY N N 22 114.980 114.980 114.977 0.003 18019
82 1 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.266 -0.844 18019
83 1 . 1 1 22 22 GLY H H 22 8.717 8.717 8.564 0.153 18019
84 1 . 1 1 23 23 LEU N N 23 120.903 120.903 118.358 2.545 18019
85 1 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.041 -0.064 18019
86 1 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.312 -0.058 18019
87 1 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.265 -2.058 18019
88 1 . 1 1 23 23 LEU H H 23 8.066 8.066 7.398 0.668 18019
89 1 . 1 1 24 24 GLN N N 24 118.630 118.630 117.797 0.833 18019
90 1 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.606 -0.074 18019
91 1 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.751 -1.005 18019
92 1 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.356 -0.913 18019
93 1 . 1 1 24 24 GLN H H 24 9.483 9.483 8.818 0.665 18019
94 1 . 1 1 25 25 CYS N N 25 125.114 125.114 125.242 -0.128 18019
95 1 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.294 -0.560 18019
96 1 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.138 14.260 18019
97 1 . 1 1 25 25 CYS H H 25 8.865 8.865 8.879 -0.014 18019
98 1 . 1 1 26 26 ARG N N 26 133.389 133.389 127.823 5.566 18019
99 1 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.476 -0.086 18019
100 1 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.391 0.604 18019
101 1 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.576 -1.063 18019
102 1 . 1 1 26 26 ARG H H 26 9.517 9.517 9.200 0.317 18019
103 1 . 1 1 27 27 TYR N N 27 122.855 122.855 118.978 3.877 18019
104 1 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.229 -0.074 18019
105 1 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.370 -0.450 18019
106 1 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.296 0.154 18019
107 1 . 1 1 27 27 TYR H H 27 8.949 8.949 8.623 0.326 18019
108 1 . 1 1 28 28 GLY N N 28 102.916 102.916 103.268 -0.352 18019
109 1 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.336 0.634 18019
110 1 . 1 1 28 28 GLY H H 28 8.327 8.327 8.730 -0.403 18019
111 1 . 1 1 29 29 LYS N N 29 122.470 122.470 118.207 4.263 18019
112 1 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.699 0.383 18019
113 1 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.865 -0.150 18019
114 1 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.943 0.102 18019
115 1 . 1 1 29 29 LYS H H 29 7.926 7.926 7.619 0.307 18019
116 1 . 1 1 30 30 CYS N N 30 119.755 119.755 119.495 0.260 18019
117 1 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.643 -0.798 18019
118 1 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.468 -2.976 18019
119 1 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.780 11.329 18019
120 1 . 1 1 30 30 CYS H H 30 8.812 8.812 8.262 0.550 18019
121 1 . 1 1 31 31 LEU N N 31 127.374 127.374 123.198 4.176 18019
122 1 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.961 -0.128 18019
123 1 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.425 1.567 18019
124 1 . 1 1 31 31 LEU H H 31 9.161 9.161 9.147 0.014 18019
125 1 . 1 1 32 32 VAL N N 32 119.330 119.330 119.832 -0.502 18019
126 1 . 1 1 32 32 VAL HA H 32 3.922 3.922 4.000 -0.078 18019
127 1 . 1 1 32 32 VAL CA C 32 64.622 64.622 61.869 2.753 18019
128 1 . 1 1 32 32 VAL CB C 32 32.244 32.244 31.971 0.273 18019
129 1 . 1 1 32 32 VAL H H 32 8.105 8.105 8.268 -0.163 18019
stop_
save_