data_18203
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18203
_Entry.PDB_ID 2LO9
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 18203
_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 GLY N N 2 113.101 113.101 107.032 6.069 18203
2 1 1 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.292 0.108 18203
3 1 1 . 1 1 2 2 GLY H H 2 8.729 8.729 8.724 0.005 18203
4 1 1 . 1 1 3 3 GLU N N 3 121.656 121.656 121.120 0.536 18203
5 1 1 . 1 1 3 3 GLU HA H 3 4.115 4.115 3.938 0.177 18203
6 1 1 . 1 1 3 3 GLU CA C 3 58.528 58.528 59.040 -0.512 18203
7 1 1 . 1 1 3 3 GLU CB C 3 29.582 29.582 29.110 0.472 18203
8 1 1 . 1 1 3 3 GLU H H 3 8.866 8.866 8.949 -0.083 18203
9 1 1 . 1 1 4 4 ARG N N 4 121.188 121.188 119.300 1.888 18203
10 1 1 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.136 0.209 18203
11 1 1 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.259 -1.413 18203
12 1 1 . 1 1 4 4 ARG CB C 4 30.275 30.275 29.256 1.019 18203
13 1 1 . 1 1 4 4 ARG H H 4 8.778 8.778 8.176 0.602 18203
14 1 1 . 1 1 5 5 CYS N N 5 118.492 118.492 117.754 0.738 18203
15 1 1 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.376 0.417 18203
16 1 1 . 1 1 5 5 CYS CA C 5 56.003 56.003 62.487 -6.484 18203
17 1 1 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.939 12.252 18203
18 1 1 . 1 1 5 5 CYS H H 5 8.483 8.483 8.507 -0.024 18203
19 1 1 . 1 1 6 6 CYS N N 6 114.976 114.976 118.840 -3.864 18203
20 1 1 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.218 0.288 18203
21 1 1 . 1 1 6 6 CYS CA C 6 56.808 56.808 61.689 -4.881 18203
22 1 1 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.015 16.900 18203
23 1 1 . 1 1 6 6 CYS H H 6 8.506 8.506 8.367 0.139 18203
24 1 1 . 1 1 7 7 LYS N N 7 120.758 120.758 116.808 3.950 18203
25 1 1 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.140 0.173 18203
26 1 1 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.411 -1.523 18203
27 1 1 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.264 0.427 18203
28 1 1 . 1 1 7 7 LYS H H 7 8.003 8.003 8.047 -0.044 18203
29 1 1 . 1 1 8 8 ASN N N 8 118.023 118.023 114.960 3.063 18203
30 1 1 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.912 -0.103 18203
31 1 1 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.091 -0.074 18203
32 1 1 . 1 1 8 8 ASN CB C 8 38.733 38.733 42.071 -3.338 18203
33 1 1 . 1 1 8 8 ASN H H 8 8.635 8.635 7.981 0.654 18203
34 1 1 . 1 1 9 9 GLY N N 9 108.647 108.647 110.448 -1.801 18203
35 1 1 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.672 -1.241 18203
36 1 1 . 1 1 9 9 GLY H H 9 8.273 8.273 8.778 -0.505 18203
37 1 1 . 1 1 10 10 LYS N N 10 121.969 121.969 124.133 -2.164 18203
38 1 1 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.044 0.241 18203
39 1 1 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.566 -1.259 18203
40 1 1 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.130 -2.126 18203
41 1 1 . 1 1 10 10 LYS H H 10 8.595 8.595 8.537 0.058 18203
42 1 1 . 1 1 11 11 ARG N N 11 119.937 119.937 116.376 3.561 18203
43 1 1 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.236 0.034 18203
44 1 1 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.958 -0.576 18203
45 1 1 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.493 -0.456 18203
46 1 1 . 1 1 11 11 ARG H H 11 8.377 8.377 7.980 0.397 18203
47 1 1 . 1 1 12 12 GLY N N 12 107.866 107.866 106.373 1.493 18203
48 1 1 . 1 1 12 12 GLY CA C 12 45.191 45.191 44.787 0.404 18203
49 1 1 . 1 1 12 12 GLY H H 12 8.045 8.045 7.850 0.195 18203
50 1 1 . 1 1 13 13 CYS N N 13 118.687 118.687 120.184 -1.497 18203
51 1 1 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.278 0.428 18203
52 1 1 . 1 1 13 13 CYS CA C 13 56.393 56.393 61.385 -4.992 18203
53 1 1 . 1 1 13 13 CYS CB C 13 43.530 43.530 25.942 17.588 18203
54 1 1 . 1 1 13 13 CYS H H 13 8.174 8.174 7.486 0.688 18203
55 1 1 . 1 1 14 14 GLY N N 14 111.655 111.655 111.847 -0.192 18203
56 1 1 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.911 -0.554 18203
57 1 1 . 1 1 14 14 GLY H H 14 8.595 8.595 7.867 0.728 18203
58 1 1 . 1 1 15 15 ARG N N 15 119.859 119.859 120.781 -0.922 18203
59 1 1 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.043 -0.236 18203
60 1 1 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.104 0.920 18203
61 1 1 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.253 -0.147 18203
62 1 1 . 1 1 15 15 ARG H H 15 8.603 8.603 8.751 -0.148 18203
63 1 1 . 1 1 16 16 TRP N N 16 118.804 118.804 122.442 -3.638 18203
64 1 1 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.415 -0.006 18203
65 1 1 . 1 1 16 16 TRP CA C 16 62.774 62.774 61.545 1.229 18203
66 1 1 . 1 1 16 16 TRP CB C 16 28.631 28.631 29.201 -0.570 18203
67 1 1 . 1 1 16 16 TRP H H 16 8.771 8.771 8.079 0.692 18203
68 1 1 . 1 1 17 17 CYS N N 17 118.922 118.922 119.804 -0.882 18203
69 1 1 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.166 0.268 18203
70 1 1 . 1 1 17 17 CYS CA C 17 59.097 59.097 60.957 -1.860 18203
71 1 1 . 1 1 17 17 CYS CB C 17 38.378 38.378 25.585 12.793 18203
72 1 1 . 1 1 17 17 CYS H H 17 9.036 9.036 8.898 0.138 18203
73 1 1 . 1 1 18 18 ARG N N 18 122.086 122.086 120.563 1.523 18203
74 1 1 . 1 1 18 18 ARG HA H 18 3.945 3.945 4.011 -0.066 18203
75 1 1 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.638 0.313 18203
76 1 1 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.160 -0.191 18203
77 1 1 . 1 1 18 18 ARG H H 18 8.843 8.843 8.679 0.164 18203
78 1 1 . 1 1 19 19 ASP N N 19 116.226 116.226 115.295 0.931 18203
79 1 1 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.598 -0.165 18203
80 1 1 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.833 -0.637 18203
81 1 1 . 1 1 19 19 ASP CB C 19 40.879 40.879 41.978 -1.099 18203
82 1 1 . 1 1 19 19 ASP H H 19 7.696 7.696 8.142 -0.446 18203
83 1 1 . 1 1 20 20 HIS N N 20 113.726 113.726 115.640 -1.914 18203
84 1 1 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.447 0.056 18203
85 1 1 . 1 1 20 20 HIS CA C 20 56.641 56.641 56.022 0.619 18203
86 1 1 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.729 -1.758 18203
87 1 1 . 1 1 20 20 HIS H H 20 7.545 7.545 8.454 -0.909 18203
88 1 1 . 1 1 21 21 SER N N 21 115.523 115.523 114.991 0.532 18203
89 1 1 . 1 1 21 21 SER HA H 21 4.865 4.865 4.661 0.204 18203
90 1 1 . 1 1 21 21 SER CA C 21 57.689 57.689 57.500 0.189 18203
91 1 1 . 1 1 21 21 SER CB C 21 66.139 66.139 64.679 1.460 18203
92 1 1 . 1 1 21 21 SER H H 21 8.156 8.156 8.509 -0.353 18203
93 1 1 . 1 1 22 22 ARG N N 22 125.719 125.719 126.840 -1.121 18203
94 1 1 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.384 0.018 18203
95 1 1 . 1 1 22 22 ARG CA C 22 56.964 56.964 56.145 0.820 18203
96 1 1 . 1 1 22 22 ARG CB C 22 29.771 29.771 27.523 2.248 18203
97 1 1 . 1 1 22 22 ARG H H 22 9.179 9.179 8.860 0.319 18203
98 1 1 . 1 1 23 23 CYS N N 23 116.539 116.539 118.719 -2.180 18203
99 1 1 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.714 -0.210 18203
100 1 1 . 1 1 23 23 CYS CA C 23 56.750 56.750 58.974 -2.224 18203
101 1 1 . 1 1 23 23 CYS CB C 23 44.086 44.086 28.057 16.029 18203
102 1 1 . 1 1 23 23 CYS H H 23 8.354 8.354 8.322 0.032 18203
103 1 2 . 1 1 2 2 GLY N N 2 113.101 113.101 112.758 0.343 18203
104 1 2 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.861 -0.461 18203
105 1 2 . 1 1 2 2 GLY H H 2 8.729 8.729 8.223 0.506 18203
106 1 2 . 1 1 3 3 GLU N N 3 121.656 121.656 121.969 -0.313 18203
107 1 2 . 1 1 3 3 GLU HA H 3 4.115 4.115 3.953 0.162 18203
108 1 2 . 1 1 3 3 GLU CA C 3 58.528 58.528 58.852 -0.324 18203
109 1 2 . 1 1 3 3 GLU CB C 3 29.582 29.582 28.900 0.682 18203
110 1 2 . 1 1 3 3 GLU H H 3 8.866 8.866 8.960 -0.094 18203
111 1 2 . 1 1 4 4 ARG N N 4 121.188 121.188 120.363 0.825 18203
112 1 2 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.089 0.256 18203
113 1 2 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.443 -1.597 18203
114 1 2 . 1 1 4 4 ARG CB C 4 30.275 30.275 28.907 1.368 18203
115 1 2 . 1 1 4 4 ARG H H 4 8.778 8.778 8.550 0.228 18203
116 1 2 . 1 1 5 5 CYS N N 5 118.492 118.492 117.795 0.697 18203
117 1 2 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.415 0.378 18203
118 1 2 . 1 1 5 5 CYS CA C 5 56.003 56.003 62.867 -6.864 18203
119 1 2 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.206 12.985 18203
120 1 2 . 1 1 5 5 CYS H H 5 8.483 8.483 8.671 -0.188 18203
121 1 2 . 1 1 6 6 CYS N N 6 114.976 114.976 119.869 -4.893 18203
122 1 2 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.301 0.205 18203
123 1 2 . 1 1 6 6 CYS CA C 6 56.808 56.808 61.048 -4.240 18203
124 1 2 . 1 1 6 6 CYS CB C 6 42.915 42.915 25.770 17.145 18203
125 1 2 . 1 1 6 6 CYS H H 6 8.506 8.506 8.703 -0.197 18203
126 1 2 . 1 1 7 7 LYS N N 7 120.758 120.758 118.321 2.437 18203
127 1 2 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.066 0.247 18203
128 1 2 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.923 -2.035 18203
129 1 2 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.414 0.277 18203
130 1 2 . 1 1 7 7 LYS H H 7 8.003 8.003 8.103 -0.100 18203
131 1 2 . 1 1 8 8 ASN N N 8 118.023 118.023 114.624 3.399 18203
132 1 2 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.942 -0.133 18203
133 1 2 . 1 1 8 8 ASN CA C 8 53.017 53.017 52.962 0.055 18203
134 1 2 . 1 1 8 8 ASN CB C 8 38.733 38.733 41.355 -2.622 18203
135 1 2 . 1 1 8 8 ASN H H 8 8.635 8.635 7.613 1.022 18203
136 1 2 . 1 1 9 9 GLY N N 9 108.647 108.647 110.421 -1.774 18203
137 1 2 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.601 -1.170 18203
138 1 2 . 1 1 9 9 GLY H H 9 8.273 8.273 8.285 -0.012 18203
139 1 2 . 1 1 10 10 LYS N N 10 121.969 121.969 124.006 -2.037 18203
140 1 2 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.043 0.242 18203
141 1 2 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.660 -1.353 18203
142 1 2 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.183 -2.179 18203
143 1 2 . 1 1 10 10 LYS H H 10 8.595 8.595 8.435 0.160 18203
144 1 2 . 1 1 11 11 ARG N N 11 119.937 119.937 116.707 3.230 18203
145 1 2 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.260 0.010 18203
146 1 2 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.806 -0.424 18203
147 1 2 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.316 -0.279 18203
148 1 2 . 1 1 11 11 ARG H H 11 8.377 8.377 8.059 0.318 18203
149 1 2 . 1 1 12 12 GLY N N 12 107.866 107.866 105.771 2.095 18203
150 1 2 . 1 1 12 12 GLY CA C 12 45.191 45.191 44.962 0.229 18203
151 1 2 . 1 1 12 12 GLY H H 12 8.045 8.045 7.627 0.418 18203
152 1 2 . 1 1 13 13 CYS N N 13 118.687 118.687 118.237 0.450 18203
153 1 2 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.285 0.421 18203
154 1 2 . 1 1 13 13 CYS CA C 13 56.393 56.393 59.975 -3.582 18203
155 1 2 . 1 1 13 13 CYS CB C 13 43.530 43.530 27.672 15.858 18203
156 1 2 . 1 1 13 13 CYS H H 13 8.174 8.174 7.479 0.695 18203
157 1 2 . 1 1 14 14 GLY N N 14 111.655 111.655 106.090 5.565 18203
158 1 2 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.476 -0.119 18203
159 1 2 . 1 1 14 14 GLY H H 14 8.595 8.595 8.198 0.397 18203
160 1 2 . 1 1 15 15 ARG N N 15 119.859 119.859 119.401 0.458 18203
161 1 2 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.078 -0.271 18203
162 1 2 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.542 0.482 18203
163 1 2 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.217 -0.111 18203
164 1 2 . 1 1 15 15 ARG H H 15 8.603 8.603 8.823 -0.220 18203
165 1 2 . 1 1 16 16 TRP N N 16 118.804 118.804 122.076 -3.272 18203
166 1 2 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.452 -0.043 18203
167 1 2 . 1 1 16 16 TRP CA C 16 62.774 62.774 60.998 1.776 18203
168 1 2 . 1 1 16 16 TRP CB C 16 28.631 28.631 28.885 -0.254 18203
169 1 2 . 1 1 16 16 TRP H H 16 8.771 8.771 7.785 0.986 18203
170 1 2 . 1 1 17 17 CYS N N 17 118.922 118.922 119.608 -0.686 18203
171 1 2 . 1 1 17 17 CYS HA H 17 4.434 4.434 3.970 0.464 18203
172 1 2 . 1 1 17 17 CYS CA C 17 59.097 59.097 61.746 -2.649 18203
173 1 2 . 1 1 17 17 CYS CB C 17 38.378 38.378 26.064 12.315 18203
174 1 2 . 1 1 17 17 CYS H H 17 9.036 9.036 8.748 0.288 18203
175 1 2 . 1 1 18 18 ARG N N 18 122.086 122.086 120.573 1.513 18203
176 1 2 . 1 1 18 18 ARG HA H 18 3.945 3.945 3.905 0.040 18203
177 1 2 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.812 0.139 18203
178 1 2 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.127 -0.158 18203
179 1 2 . 1 1 18 18 ARG H H 18 8.843 8.843 8.680 0.163 18203
180 1 2 . 1 1 19 19 ASP N N 19 116.226 116.226 114.892 1.334 18203
181 1 2 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.579 -0.146 18203
182 1 2 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.605 -0.409 18203
183 1 2 . 1 1 19 19 ASP CB C 19 40.879 40.879 41.833 -0.954 18203
184 1 2 . 1 1 19 19 ASP H H 19 7.696 7.696 8.212 -0.516 18203
185 1 2 . 1 1 20 20 HIS N N 20 113.726 113.726 116.189 -2.463 18203
186 1 2 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.470 0.033 18203
187 1 2 . 1 1 20 20 HIS CA C 20 56.641 56.641 55.763 0.878 18203
188 1 2 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.213 -1.242 18203
189 1 2 . 1 1 20 20 HIS H H 20 7.545 7.545 8.500 -0.955 18203
190 1 2 . 1 1 21 21 SER N N 21 115.523 115.523 113.759 1.764 18203
191 1 2 . 1 1 21 21 SER HA H 21 4.865 4.865 4.595 0.270 18203
192 1 2 . 1 1 21 21 SER CA C 21 57.689 57.689 57.115 0.573 18203
193 1 2 . 1 1 21 21 SER CB C 21 66.139 66.139 64.270 1.869 18203
194 1 2 . 1 1 21 21 SER H H 21 8.156 8.156 8.242 -0.086 18203
195 1 2 . 1 1 22 22 ARG N N 22 125.719 125.719 127.013 -1.294 18203
196 1 2 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.503 -0.101 18203
197 1 2 . 1 1 22 22 ARG CA C 22 56.964 56.964 55.979 0.985 18203
198 1 2 . 1 1 22 22 ARG CB C 22 29.771 29.771 27.334 2.437 18203
199 1 2 . 1 1 22 22 ARG H H 22 9.179 9.179 8.764 0.415 18203
200 1 2 . 1 1 23 23 CYS N N 23 116.539 116.539 117.387 -0.848 18203
201 1 2 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.720 -0.216 18203
202 1 2 . 1 1 23 23 CYS CA C 23 56.750 56.750 59.246 -2.496 18203
203 1 2 . 1 1 23 23 CYS CB C 23 44.086 44.086 29.106 14.980 18203
204 1 2 . 1 1 23 23 CYS H H 23 8.354 8.354 8.175 0.179 18203
205 1 3 . 1 1 2 2 GLY N N 2 113.101 113.101 114.311 -1.210 18203
206 1 3 . 1 1 2 2 GLY CA C 2 45.400 45.400 46.045 -0.645 18203
207 1 3 . 1 1 2 2 GLY H H 2 8.729 8.729 8.433 0.296 18203
208 1 3 . 1 1 3 3 GLU N N 3 121.656 121.656 120.861 0.795 18203
209 1 3 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.092 0.023 18203
210 1 3 . 1 1 3 3 GLU CA C 3 58.528 58.528 58.654 -0.126 18203
211 1 3 . 1 1 3 3 GLU CB C 3 29.582 29.582 29.413 0.169 18203
212 1 3 . 1 1 3 3 GLU H H 3 8.866 8.866 8.778 0.088 18203
213 1 3 . 1 1 4 4 ARG N N 4 121.188 121.188 120.955 0.233 18203
214 1 3 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.055 0.290 18203
215 1 3 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.810 -1.964 18203
216 1 3 . 1 1 4 4 ARG CB C 4 30.275 30.275 28.762 1.513 18203
217 1 3 . 1 1 4 4 ARG H H 4 8.778 8.778 8.728 0.050 18203
218 1 3 . 1 1 5 5 CYS N N 5 118.492 118.492 118.302 0.190 18203
219 1 3 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.319 0.474 18203
220 1 3 . 1 1 5 5 CYS CA C 5 56.003 56.003 62.976 -6.973 18203
221 1 3 . 1 1 5 5 CYS CB C 5 39.191 39.191 25.333 13.858 18203
222 1 3 . 1 1 5 5 CYS H H 5 8.483 8.483 8.696 -0.213 18203
223 1 3 . 1 1 6 6 CYS N N 6 114.976 114.976 118.125 -3.149 18203
224 1 3 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.341 0.165 18203
225 1 3 . 1 1 6 6 CYS CA C 6 56.808 56.808 60.872 -4.064 18203
226 1 3 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.462 16.453 18203
227 1 3 . 1 1 6 6 CYS H H 6 8.506 8.506 8.112 0.394 18203
228 1 3 . 1 1 7 7 LYS N N 7 120.758 120.758 118.622 2.136 18203
229 1 3 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.108 0.205 18203
230 1 3 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.451 -1.563 18203
231 1 3 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.508 0.183 18203
232 1 3 . 1 1 7 7 LYS H H 7 8.003 8.003 8.267 -0.264 18203
233 1 3 . 1 1 8 8 ASN N N 8 118.023 118.023 114.457 3.566 18203
234 1 3 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.908 -0.099 18203
235 1 3 . 1 1 8 8 ASN CA C 8 53.017 53.017 52.690 0.327 18203
236 1 3 . 1 1 8 8 ASN CB C 8 38.733 38.733 40.785 -2.052 18203
237 1 3 . 1 1 8 8 ASN H H 8 8.635 8.635 7.962 0.673 18203
238 1 3 . 1 1 9 9 GLY N N 9 108.647 108.647 110.526 -1.879 18203
239 1 3 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.846 -1.415 18203
240 1 3 . 1 1 9 9 GLY H H 9 8.273 8.273 8.483 -0.210 18203
241 1 3 . 1 1 10 10 LYS N N 10 121.969 121.969 123.930 -1.961 18203
242 1 3 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.020 0.265 18203
243 1 3 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.533 -1.226 18203
244 1 3 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.173 -2.169 18203
245 1 3 . 1 1 10 10 LYS H H 10 8.595 8.595 8.350 0.245 18203
246 1 3 . 1 1 11 11 ARG N N 11 119.937 119.937 116.252 3.685 18203
247 1 3 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.373 -0.103 18203
248 1 3 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.103 0.279 18203
249 1 3 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.421 -0.383 18203
250 1 3 . 1 1 11 11 ARG H H 11 8.377 8.377 8.149 0.228 18203
251 1 3 . 1 1 12 12 GLY N N 12 107.866 107.866 107.494 0.372 18203
252 1 3 . 1 1 12 12 GLY CA C 12 45.191 45.191 45.316 -0.126 18203
253 1 3 . 1 1 12 12 GLY H H 12 8.045 8.045 7.806 0.239 18203
254 1 3 . 1 1 13 13 CYS N N 13 118.687 118.687 118.472 0.215 18203
255 1 3 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.272 0.434 18203
256 1 3 . 1 1 13 13 CYS CA C 13 56.393 56.393 60.948 -4.555 18203
257 1 3 . 1 1 13 13 CYS CB C 13 43.530 43.530 26.748 16.782 18203
258 1 3 . 1 1 13 13 CYS H H 13 8.174 8.174 7.901 0.273 18203
259 1 3 . 1 1 14 14 GLY N N 14 111.655 111.655 109.779 1.876 18203
260 1 3 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.491 -0.134 18203
261 1 3 . 1 1 14 14 GLY H H 14 8.595 8.595 8.022 0.573 18203
262 1 3 . 1 1 15 15 ARG N N 15 119.859 119.859 118.788 1.071 18203
263 1 3 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.049 -0.242 18203
264 1 3 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.472 0.552 18203
265 1 3 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.181 -0.075 18203
266 1 3 . 1 1 15 15 ARG H H 15 8.603 8.603 8.885 -0.282 18203
267 1 3 . 1 1 16 16 TRP N N 16 118.804 118.804 122.188 -3.384 18203
268 1 3 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.500 -0.091 18203
269 1 3 . 1 1 16 16 TRP CA C 16 62.774 62.774 60.804 1.970 18203
270 1 3 . 1 1 16 16 TRP CB C 16 28.631 28.631 28.972 -0.341 18203
271 1 3 . 1 1 16 16 TRP H H 16 8.771 8.771 7.696 1.075 18203
272 1 3 . 1 1 17 17 CYS N N 17 118.922 118.922 120.063 -1.141 18203
273 1 3 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.171 0.263 18203
274 1 3 . 1 1 17 17 CYS CA C 17 59.097 59.097 60.752 -1.655 18203
275 1 3 . 1 1 17 17 CYS CB C 17 38.378 38.378 25.735 12.643 18203
276 1 3 . 1 1 17 17 CYS H H 17 9.036 9.036 8.895 0.141 18203
277 1 3 . 1 1 18 18 ARG N N 18 122.086 122.086 119.708 2.378 18203
278 1 3 . 1 1 18 18 ARG HA H 18 3.945 3.945 3.995 -0.050 18203
279 1 3 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.754 0.197 18203
280 1 3 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.083 -0.114 18203
281 1 3 . 1 1 18 18 ARG H H 18 8.843 8.843 8.711 0.132 18203
282 1 3 . 1 1 19 19 ASP N N 19 116.226 116.226 116.057 0.169 18203
283 1 3 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.558 -0.125 18203
284 1 3 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.353 -0.157 18203
285 1 3 . 1 1 19 19 ASP CB C 19 40.879 40.879 42.052 -1.173 18203
286 1 3 . 1 1 19 19 ASP H H 19 7.696 7.696 8.072 -0.376 18203
287 1 3 . 1 1 20 20 HIS N N 20 113.726 113.726 116.640 -2.914 18203
288 1 3 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.561 -0.058 18203
289 1 3 . 1 1 20 20 HIS CA C 20 56.641 56.641 55.795 0.846 18203
290 1 3 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.530 -1.559 18203
291 1 3 . 1 1 20 20 HIS H H 20 7.545 7.545 8.575 -1.030 18203
292 1 3 . 1 1 21 21 SER N N 21 115.523 115.523 114.413 1.110 18203
293 1 3 . 1 1 21 21 SER HA H 21 4.865 4.865 4.764 0.101 18203
294 1 3 . 1 1 21 21 SER CA C 21 57.689 57.689 57.222 0.467 18203
295 1 3 . 1 1 21 21 SER CB C 21 66.139 66.139 65.595 0.544 18203
296 1 3 . 1 1 21 21 SER H H 21 8.156 8.156 8.275 -0.119 18203
297 1 3 . 1 1 22 22 ARG N N 22 125.719 125.719 120.002 5.717 18203
298 1 3 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.568 -0.166 18203
299 1 3 . 1 1 22 22 ARG CA C 22 56.964 56.964 55.868 1.096 18203
300 1 3 . 1 1 22 22 ARG CB C 22 29.771 29.771 30.503 -0.732 18203
301 1 3 . 1 1 22 22 ARG H H 22 9.179 9.179 8.584 0.595 18203
302 1 3 . 1 1 23 23 CYS N N 23 116.539 116.539 120.051 -3.512 18203
303 1 3 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.730 -0.226 18203
304 1 3 . 1 1 23 23 CYS CA C 23 56.750 56.750 58.323 -1.573 18203
305 1 3 . 1 1 23 23 CYS CB C 23 44.086 44.086 25.750 18.336 18203
306 1 3 . 1 1 23 23 CYS H H 23 8.354 8.354 8.570 -0.216 18203
307 1 4 . 1 1 2 2 GLY N N 2 113.101 113.101 114.205 -1.104 18203
308 1 4 . 1 1 2 2 GLY CA C 2 45.400 45.400 46.017 -0.617 18203
309 1 4 . 1 1 2 2 GLY H H 2 8.729 8.729 8.414 0.315 18203
310 1 4 . 1 1 3 3 GLU N N 3 121.656 121.656 120.782 0.874 18203
311 1 4 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.050 0.065 18203
312 1 4 . 1 1 3 3 GLU CA C 3 58.528 58.528 58.623 -0.095 18203
313 1 4 . 1 1 3 3 GLU CB C 3 29.582 29.582 29.155 0.427 18203
314 1 4 . 1 1 3 3 GLU H H 3 8.866 8.866 8.921 -0.055 18203
315 1 4 . 1 1 4 4 ARG N N 4 121.188 121.188 119.651 1.537 18203
316 1 4 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.043 0.302 18203
317 1 4 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.421 -1.575 18203
318 1 4 . 1 1 4 4 ARG CB C 4 30.275 30.275 28.920 1.355 18203
319 1 4 . 1 1 4 4 ARG H H 4 8.778 8.778 8.856 -0.078 18203
320 1 4 . 1 1 5 5 CYS N N 5 118.492 118.492 118.865 -0.373 18203
321 1 4 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.285 0.508 18203
322 1 4 . 1 1 5 5 CYS CA C 5 56.003 56.003 63.206 -7.202 18203
323 1 4 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.021 13.170 18203
324 1 4 . 1 1 5 5 CYS H H 5 8.483 8.483 8.069 0.414 18203
325 1 4 . 1 1 6 6 CYS N N 6 114.976 114.976 118.218 -3.242 18203
326 1 4 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.284 0.222 18203
327 1 4 . 1 1 6 6 CYS CA C 6 56.808 56.808 61.746 -4.938 18203
328 1 4 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.328 16.587 18203
329 1 4 . 1 1 6 6 CYS H H 6 8.506 8.506 8.584 -0.078 18203
330 1 4 . 1 1 7 7 LYS N N 7 120.758 120.758 118.003 2.755 18203
331 1 4 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.118 0.195 18203
332 1 4 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.458 -1.570 18203
333 1 4 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.604 0.087 18203
334 1 4 . 1 1 7 7 LYS H H 7 8.003 8.003 8.355 -0.352 18203
335 1 4 . 1 1 8 8 ASN N N 8 118.023 118.023 114.406 3.617 18203
336 1 4 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.897 -0.088 18203
337 1 4 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.223 -0.206 18203
338 1 4 . 1 1 8 8 ASN CB C 8 38.733 38.733 40.660 -1.927 18203
339 1 4 . 1 1 8 8 ASN H H 8 8.635 8.635 7.983 0.652 18203
340 1 4 . 1 1 9 9 GLY N N 9 108.647 108.647 110.508 -1.861 18203
341 1 4 . 1 1 9 9 GLY CA C 9 45.431 45.431 47.010 -1.579 18203
342 1 4 . 1 1 9 9 GLY H H 9 8.273 8.273 8.867 -0.594 18203
343 1 4 . 1 1 10 10 LYS N N 10 121.969 121.969 124.440 -2.471 18203
344 1 4 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.027 0.258 18203
345 1 4 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.429 -1.122 18203
346 1 4 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.260 -2.256 18203
347 1 4 . 1 1 10 10 LYS H H 10 8.595 8.595 8.396 0.199 18203
348 1 4 . 1 1 11 11 ARG N N 11 119.937 119.937 115.990 3.947 18203
349 1 4 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.252 0.018 18203
350 1 4 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.578 -0.196 18203
351 1 4 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.425 -0.389 18203
352 1 4 . 1 1 11 11 ARG H H 11 8.377 8.377 7.916 0.461 18203
353 1 4 . 1 1 12 12 GLY N N 12 107.866 107.866 107.302 0.564 18203
354 1 4 . 1 1 12 12 GLY CA C 12 45.191 45.191 45.399 -0.208 18203
355 1 4 . 1 1 12 12 GLY H H 12 8.045 8.045 7.564 0.481 18203
356 1 4 . 1 1 13 13 CYS N N 13 118.687 118.687 119.439 -0.752 18203
357 1 4 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.184 0.522 18203
358 1 4 . 1 1 13 13 CYS CA C 13 56.393 56.393 60.968 -4.575 18203
359 1 4 . 1 1 13 13 CYS CB C 13 43.530 43.530 25.519 18.011 18203
360 1 4 . 1 1 13 13 CYS H H 13 8.174 8.174 7.740 0.434 18203
361 1 4 . 1 1 14 14 GLY N N 14 111.655 111.655 111.432 0.223 18203
362 1 4 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.465 -0.109 18203
363 1 4 . 1 1 14 14 GLY H H 14 8.595 8.595 7.615 0.980 18203
364 1 4 . 1 1 15 15 ARG N N 15 119.859 119.859 121.291 -1.432 18203
365 1 4 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.107 -0.300 18203
366 1 4 . 1 1 15 15 ARG CA C 15 60.024 60.024 60.026 -0.002 18203
367 1 4 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.206 -0.100 18203
368 1 4 . 1 1 15 15 ARG H H 15 8.603 8.603 8.884 -0.281 18203
369 1 4 . 1 1 16 16 TRP N N 16 118.804 118.804 119.656 -0.852 18203
370 1 4 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.445 -0.036 18203
371 1 4 . 1 1 16 16 TRP CA C 16 62.774 62.774 60.648 2.126 18203
372 1 4 . 1 1 16 16 TRP CB C 16 28.631 28.631 28.985 -0.354 18203
373 1 4 . 1 1 16 16 TRP H H 16 8.771 8.771 7.783 0.988 18203
374 1 4 . 1 1 17 17 CYS N N 17 118.922 118.922 119.761 -0.839 18203
375 1 4 . 1 1 17 17 CYS HA H 17 4.434 4.434 3.958 0.476 18203
376 1 4 . 1 1 17 17 CYS CA C 17 59.097 59.097 62.033 -2.936 18203
377 1 4 . 1 1 17 17 CYS CB C 17 38.378 38.378 26.010 12.368 18203
378 1 4 . 1 1 17 17 CYS H H 17 9.036 9.036 8.959 0.077 18203
379 1 4 . 1 1 18 18 ARG N N 18 122.086 122.086 120.751 1.335 18203
380 1 4 . 1 1 18 18 ARG HA H 18 3.945 3.945 3.923 0.022 18203
381 1 4 . 1 1 18 18 ARG CA C 18 59.951 59.951 60.389 -0.438 18203
382 1 4 . 1 1 18 18 ARG CB C 18 29.969 29.969 29.995 -0.026 18203
383 1 4 . 1 1 18 18 ARG H H 18 8.843 8.843 8.941 -0.098 18203
384 1 4 . 1 1 19 19 ASP N N 19 116.226 116.226 117.414 -1.188 18203
385 1 4 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.538 -0.105 18203
386 1 4 . 1 1 19 19 ASP CA C 19 55.196 55.196 56.043 -0.847 18203
387 1 4 . 1 1 19 19 ASP CB C 19 40.879 40.879 41.342 -0.463 18203
388 1 4 . 1 1 19 19 ASP H H 19 7.696 7.696 8.251 -0.555 18203
389 1 4 . 1 1 20 20 HIS N N 20 113.726 113.726 115.140 -1.414 18203
390 1 4 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.473 0.030 18203
391 1 4 . 1 1 20 20 HIS CA C 20 56.641 56.641 56.906 -0.265 18203
392 1 4 . 1 1 20 20 HIS CB C 20 28.971 28.971 29.922 -0.951 18203
393 1 4 . 1 1 20 20 HIS H H 20 7.545 7.545 8.559 -1.014 18203
394 1 4 . 1 1 21 21 SER N N 21 115.523 115.523 112.710 2.813 18203
395 1 4 . 1 1 21 21 SER HA H 21 4.865 4.865 4.669 0.196 18203
396 1 4 . 1 1 21 21 SER CA C 21 57.689 57.689 56.240 1.449 18203
397 1 4 . 1 1 21 21 SER CB C 21 66.139 66.139 64.696 1.443 18203
398 1 4 . 1 1 21 21 SER H H 21 8.156 8.156 8.169 -0.013 18203
399 1 4 . 1 1 22 22 ARG N N 22 125.719 125.719 121.566 4.153 18203
400 1 4 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.553 -0.151 18203
401 1 4 . 1 1 22 22 ARG CA C 22 56.964 56.964 55.615 1.349 18203
402 1 4 . 1 1 22 22 ARG CB C 22 29.771 29.771 28.993 0.778 18203
403 1 4 . 1 1 22 22 ARG H H 22 9.179 9.179 8.455 0.724 18203
404 1 4 . 1 1 23 23 CYS N N 23 116.539 116.539 118.847 -2.308 18203
405 1 4 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.691 -0.187 18203
406 1 4 . 1 1 23 23 CYS CA C 23 56.750 56.750 58.660 -1.910 18203
407 1 4 . 1 1 23 23 CYS CB C 23 44.086 44.086 26.567 17.519 18203
408 1 4 . 1 1 23 23 CYS H H 23 8.354 8.354 8.563 -0.209 18203
409 1 5 . 1 1 2 2 GLY N N 2 113.101 113.101 108.447 4.654 18203
410 1 5 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.772 -0.372 18203
411 1 5 . 1 1 2 2 GLY H H 2 8.729 8.729 8.466 0.263 18203
412 1 5 . 1 1 3 3 GLU N N 3 121.656 121.656 122.014 -0.358 18203
413 1 5 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.035 0.080 18203
414 1 5 . 1 1 3 3 GLU CA C 3 58.528 58.528 59.206 -0.678 18203
415 1 5 . 1 1 3 3 GLU CB C 3 29.582 29.582 28.850 0.732 18203
416 1 5 . 1 1 3 3 GLU H H 3 8.866 8.866 9.028 -0.162 18203
417 1 5 . 1 1 4 4 ARG N N 4 121.188 121.188 119.936 1.252 18203
418 1 5 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.120 0.225 18203
419 1 5 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.178 -1.332 18203
420 1 5 . 1 1 4 4 ARG CB C 4 30.275 30.275 28.997 1.278 18203
421 1 5 . 1 1 4 4 ARG H H 4 8.778 8.778 8.675 0.103 18203
422 1 5 . 1 1 5 5 CYS N N 5 118.492 118.492 118.935 -0.443 18203
423 1 5 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.376 0.417 18203
424 1 5 . 1 1 5 5 CYS CA C 5 56.003 56.003 62.894 -6.891 18203
425 1 5 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.317 12.874 18203
426 1 5 . 1 1 5 5 CYS H H 5 8.483 8.483 8.922 -0.439 18203
427 1 5 . 1 1 6 6 CYS N N 6 114.976 114.976 119.891 -4.915 18203
428 1 5 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.263 0.243 18203
429 1 5 . 1 1 6 6 CYS CA C 6 56.808 56.808 62.056 -5.248 18203
430 1 5 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.178 16.737 18203
431 1 5 . 1 1 6 6 CYS H H 6 8.506 8.506 8.463 0.042 18203
432 1 5 . 1 1 7 7 LYS N N 7 120.758 120.758 117.781 2.977 18203
433 1 5 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.129 0.184 18203
434 1 5 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.230 -1.342 18203
435 1 5 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.282 0.409 18203
436 1 5 . 1 1 7 7 LYS H H 7 8.003 8.003 7.908 0.095 18203
437 1 5 . 1 1 8 8 ASN N N 8 118.023 118.023 114.505 3.518 18203
438 1 5 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.818 -0.009 18203
439 1 5 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.212 -0.195 18203
440 1 5 . 1 1 8 8 ASN CB C 8 38.733 38.733 40.959 -2.226 18203
441 1 5 . 1 1 8 8 ASN H H 8 8.635 8.635 7.668 0.967 18203
442 1 5 . 1 1 9 9 GLY N N 9 108.647 108.647 110.757 -2.110 18203
443 1 5 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.859 -1.428 18203
444 1 5 . 1 1 9 9 GLY H H 9 8.273 8.273 8.879 -0.606 18203
445 1 5 . 1 1 10 10 LYS N N 10 121.969 121.969 124.485 -2.516 18203
446 1 5 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.028 0.257 18203
447 1 5 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.535 -1.228 18203
448 1 5 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.264 -2.260 18203
449 1 5 . 1 1 10 10 LYS H H 10 8.595 8.595 8.306 0.289 18203
450 1 5 . 1 1 11 11 ARG N N 11 119.937 119.937 116.286 3.651 18203
451 1 5 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.322 -0.052 18203
452 1 5 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.106 0.276 18203
453 1 5 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.616 -0.579 18203
454 1 5 . 1 1 11 11 ARG H H 11 8.377 8.377 7.949 0.428 18203
455 1 5 . 1 1 12 12 GLY N N 12 107.866 107.866 107.962 -0.096 18203
456 1 5 . 1 1 12 12 GLY CA C 12 45.191 45.191 45.401 -0.210 18203
457 1 5 . 1 1 12 12 GLY H H 12 8.045 8.045 7.750 0.295 18203
458 1 5 . 1 1 13 13 CYS N N 13 118.687 118.687 118.929 -0.242 18203
459 1 5 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.260 0.446 18203
460 1 5 . 1 1 13 13 CYS CA C 13 56.393 56.393 61.794 -5.401 18203
461 1 5 . 1 1 13 13 CYS CB C 13 43.530 43.530 26.545 16.985 18203
462 1 5 . 1 1 13 13 CYS H H 13 8.174 8.174 7.787 0.387 18203
463 1 5 . 1 1 14 14 GLY N N 14 111.655 111.655 109.229 2.426 18203
464 1 5 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.603 -0.247 18203
465 1 5 . 1 1 14 14 GLY H H 14 8.595 8.595 7.931 0.664 18203
466 1 5 . 1 1 15 15 ARG N N 15 119.859 119.859 119.341 0.518 18203
467 1 5 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.092 -0.285 18203
468 1 5 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.709 0.315 18203
469 1 5 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.208 -0.102 18203
470 1 5 . 1 1 15 15 ARG H H 15 8.603 8.603 8.843 -0.240 18203
471 1 5 . 1 1 16 16 TRP N N 16 118.804 118.804 122.090 -3.286 18203
472 1 5 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.446 -0.037 18203
473 1 5 . 1 1 16 16 TRP CA C 16 62.774 62.774 60.794 1.980 18203
474 1 5 . 1 1 16 16 TRP CB C 16 28.631 28.631 28.972 -0.341 18203
475 1 5 . 1 1 16 16 TRP H H 16 8.771 8.771 7.684 1.087 18203
476 1 5 . 1 1 17 17 CYS N N 17 118.922 118.922 119.303 -0.381 18203
477 1 5 . 1 1 17 17 CYS HA H 17 4.434 4.434 3.948 0.486 18203
478 1 5 . 1 1 17 17 CYS CA C 17 59.097 59.097 62.338 -3.241 18203
479 1 5 . 1 1 17 17 CYS CB C 17 38.378 38.378 25.890 12.488 18203
480 1 5 . 1 1 17 17 CYS H H 17 9.036 9.036 8.854 0.182 18203
481 1 5 . 1 1 18 18 ARG N N 18 122.086 122.086 120.881 1.205 18203
482 1 5 . 1 1 18 18 ARG HA H 18 3.945 3.945 3.923 0.022 18203
483 1 5 . 1 1 18 18 ARG CA C 18 59.951 59.951 60.271 -0.320 18203
484 1 5 . 1 1 18 18 ARG CB C 18 29.969 29.969 29.980 -0.011 18203
485 1 5 . 1 1 18 18 ARG H H 18 8.843 8.843 8.830 0.013 18203
486 1 5 . 1 1 19 19 ASP N N 19 116.226 116.226 116.527 -0.301 18203
487 1 5 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.564 -0.131 18203
488 1 5 . 1 1 19 19 ASP CA C 19 55.196 55.196 56.198 -1.002 18203
489 1 5 . 1 1 19 19 ASP CB C 19 40.879 40.879 41.253 -0.374 18203
490 1 5 . 1 1 19 19 ASP H H 19 7.696 7.696 8.413 -0.717 18203
491 1 5 . 1 1 20 20 HIS N N 20 113.726 113.726 117.364 -3.638 18203
492 1 5 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.605 -0.102 18203
493 1 5 . 1 1 20 20 HIS CA C 20 56.641 56.641 55.913 0.729 18203
494 1 5 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.580 -1.609 18203
495 1 5 . 1 1 20 20 HIS H H 20 7.545 7.545 8.613 -1.068 18203
496 1 5 . 1 1 21 21 SER N N 21 115.523 115.523 113.149 2.374 18203
497 1 5 . 1 1 21 21 SER HA H 21 4.865 4.865 4.688 0.177 18203
498 1 5 . 1 1 21 21 SER CA C 21 57.689 57.689 57.306 0.383 18203
499 1 5 . 1 1 21 21 SER CB C 21 66.139 66.139 65.463 0.676 18203
500 1 5 . 1 1 21 21 SER H H 21 8.156 8.156 8.403 -0.247 18203
501 1 5 . 1 1 22 22 ARG N N 22 125.719 125.719 120.732 4.987 18203
502 1 5 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.595 -0.193 18203
503 1 5 . 1 1 22 22 ARG CA C 22 56.964 56.964 55.075 1.889 18203
504 1 5 . 1 1 22 22 ARG CB C 22 29.771 29.771 29.077 0.694 18203
505 1 5 . 1 1 22 22 ARG H H 22 9.179 9.179 8.459 0.720 18203
506 1 5 . 1 1 23 23 CYS N N 23 116.539 116.539 119.972 -3.433 18203
507 1 5 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.663 -0.159 18203
508 1 5 . 1 1 23 23 CYS CA C 23 56.750 56.750 58.866 -2.116 18203
509 1 5 . 1 1 23 23 CYS CB C 23 44.086 44.086 25.765 18.321 18203
510 1 5 . 1 1 23 23 CYS H H 23 8.354 8.354 8.451 -0.097 18203
511 1 6 . 1 1 2 2 GLY N N 2 113.101 113.101 111.151 1.950 18203
512 1 6 . 1 1 2 2 GLY CA C 2 45.400 45.400 46.345 -0.945 18203
513 1 6 . 1 1 2 2 GLY H H 2 8.729 8.729 8.681 0.048 18203
514 1 6 . 1 1 3 3 GLU N N 3 121.656 121.656 122.516 -0.860 18203
515 1 6 . 1 1 3 3 GLU HA H 3 4.115 4.115 3.831 0.284 18203
516 1 6 . 1 1 3 3 GLU CA C 3 58.528 58.528 59.300 -0.772 18203
517 1 6 . 1 1 3 3 GLU CB C 3 29.582 29.582 28.638 0.944 18203
518 1 6 . 1 1 3 3 GLU H H 3 8.866 8.866 8.556 0.310 18203
519 1 6 . 1 1 4 4 ARG N N 4 121.188 121.188 120.387 0.801 18203
520 1 6 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.093 0.252 18203
521 1 6 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.555 -1.709 18203
522 1 6 . 1 1 4 4 ARG CB C 4 30.275 30.275 29.167 1.108 18203
523 1 6 . 1 1 4 4 ARG H H 4 8.778 8.778 8.630 0.148 18203
524 1 6 . 1 1 5 5 CYS N N 5 118.492 118.492 117.980 0.512 18203
525 1 6 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.322 0.471 18203
526 1 6 . 1 1 5 5 CYS CA C 5 56.003 56.003 62.601 -6.598 18203
527 1 6 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.440 12.751 18203
528 1 6 . 1 1 5 5 CYS H H 5 8.483 8.483 8.909 -0.426 18203
529 1 6 . 1 1 6 6 CYS N N 6 114.976 114.976 120.379 -5.403 18203
530 1 6 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.244 0.262 18203
531 1 6 . 1 1 6 6 CYS CA C 6 56.808 56.808 61.542 -4.734 18203
532 1 6 . 1 1 6 6 CYS CB C 6 42.915 42.915 25.741 17.174 18203
533 1 6 . 1 1 6 6 CYS H H 6 8.506 8.506 8.240 0.266 18203
534 1 6 . 1 1 7 7 LYS N N 7 120.758 120.758 118.344 2.414 18203
535 1 6 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.071 0.242 18203
536 1 6 . 1 1 7 7 LYS CA C 7 56.888 56.888 59.045 -2.157 18203
537 1 6 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.236 0.455 18203
538 1 6 . 1 1 7 7 LYS H H 7 8.003 8.003 8.526 -0.523 18203
539 1 6 . 1 1 8 8 ASN N N 8 118.023 118.023 115.133 2.890 18203
540 1 6 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.903 -0.094 18203
541 1 6 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.721 -0.704 18203
542 1 6 . 1 1 8 8 ASN CB C 8 38.733 38.733 41.018 -2.285 18203
543 1 6 . 1 1 8 8 ASN H H 8 8.635 8.635 7.723 0.912 18203
544 1 6 . 1 1 9 9 GLY N N 9 108.647 108.647 109.935 -1.288 18203
545 1 6 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.861 -1.430 18203
546 1 6 . 1 1 9 9 GLY H H 9 8.273 8.273 8.577 -0.304 18203
547 1 6 . 1 1 10 10 LYS N N 10 121.969 121.969 124.700 -2.731 18203
548 1 6 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.047 0.238 18203
549 1 6 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.035 -0.728 18203
550 1 6 . 1 1 10 10 LYS CB C 10 30.004 30.004 31.782 -1.778 18203
551 1 6 . 1 1 10 10 LYS H H 10 8.595 8.595 8.493 0.102 18203
552 1 6 . 1 1 11 11 ARG N N 11 119.937 119.937 117.367 2.570 18203
553 1 6 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.336 -0.066 18203
554 1 6 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.036 0.346 18203
555 1 6 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.519 -0.482 18203
556 1 6 . 1 1 11 11 ARG H H 11 8.377 8.377 7.917 0.460 18203
557 1 6 . 1 1 12 12 GLY N N 12 107.866 107.866 106.088 1.778 18203
558 1 6 . 1 1 12 12 GLY CA C 12 45.191 45.191 44.922 0.269 18203
559 1 6 . 1 1 12 12 GLY H H 12 8.045 8.045 7.810 0.235 18203
560 1 6 . 1 1 13 13 CYS N N 13 118.687 118.687 121.661 -2.974 18203
561 1 6 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.240 0.466 18203
562 1 6 . 1 1 13 13 CYS CA C 13 56.393 56.393 60.515 -4.122 18203
563 1 6 . 1 1 13 13 CYS CB C 13 43.530 43.530 24.386 19.144 18203
564 1 6 . 1 1 13 13 CYS H H 13 8.174 8.174 7.637 0.537 18203
565 1 6 . 1 1 14 14 GLY N N 14 111.655 111.655 113.129 -1.474 18203
566 1 6 . 1 1 14 14 GLY CA C 14 44.357 44.357 45.111 -0.754 18203
567 1 6 . 1 1 14 14 GLY H H 14 8.595 8.595 7.681 0.914 18203
568 1 6 . 1 1 15 15 ARG N N 15 119.859 119.859 121.099 -1.240 18203
569 1 6 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.105 -0.298 18203
570 1 6 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.183 0.841 18203
571 1 6 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.234 -0.128 18203
572 1 6 . 1 1 15 15 ARG H H 15 8.603 8.603 8.783 -0.180 18203
573 1 6 . 1 1 16 16 TRP N N 16 118.804 118.804 119.738 -0.934 18203
574 1 6 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.445 -0.036 18203
575 1 6 . 1 1 16 16 TRP CA C 16 62.774 62.774 61.067 1.707 18203
576 1 6 . 1 1 16 16 TRP CB C 16 28.631 28.631 29.220 -0.589 18203
577 1 6 . 1 1 16 16 TRP H H 16 8.771 8.771 8.072 0.699 18203
578 1 6 . 1 1 17 17 CYS N N 17 118.922 118.922 119.594 -0.672 18203
579 1 6 . 1 1 17 17 CYS HA H 17 4.434 4.434 3.890 0.544 18203
580 1 6 . 1 1 17 17 CYS CA C 17 59.097 59.097 62.600 -3.503 18203
581 1 6 . 1 1 17 17 CYS CB C 17 38.378 38.378 25.922 12.456 18203
582 1 6 . 1 1 17 17 CYS H H 17 9.036 9.036 8.906 0.130 18203
583 1 6 . 1 1 18 18 ARG N N 18 122.086 122.086 120.389 1.697 18203
584 1 6 . 1 1 18 18 ARG HA H 18 3.945 3.945 3.963 -0.018 18203
585 1 6 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.768 0.183 18203
586 1 6 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.182 -0.213 18203
587 1 6 . 1 1 18 18 ARG H H 18 8.843 8.843 8.666 0.177 18203
588 1 6 . 1 1 19 19 ASP N N 19 116.226 116.226 114.778 1.448 18203
589 1 6 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.579 -0.146 18203
590 1 6 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.907 -0.711 18203
591 1 6 . 1 1 19 19 ASP CB C 19 40.879 40.879 41.689 -0.810 18203
592 1 6 . 1 1 19 19 ASP H H 19 7.696 7.696 7.772 -0.076 18203
593 1 6 . 1 1 20 20 HIS N N 20 113.726 113.726 116.700 -2.974 18203
594 1 6 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.532 -0.029 18203
595 1 6 . 1 1 20 20 HIS CA C 20 56.641 56.641 56.598 0.043 18203
596 1 6 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.696 -1.725 18203
597 1 6 . 1 1 20 20 HIS H H 20 7.545 7.545 8.401 -0.856 18203
598 1 6 . 1 1 21 21 SER N N 21 115.523 115.523 114.233 1.290 18203
599 1 6 . 1 1 21 21 SER HA H 21 4.865 4.865 4.585 0.280 18203
600 1 6 . 1 1 21 21 SER CA C 21 57.689 57.689 56.914 0.775 18203
601 1 6 . 1 1 21 21 SER CB C 21 66.139 66.139 63.708 2.431 18203
602 1 6 . 1 1 21 21 SER H H 21 8.156 8.156 8.291 -0.135 18203
603 1 6 . 1 1 22 22 ARG N N 22 125.719 125.719 127.221 -1.502 18203
604 1 6 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.288 0.114 18203
605 1 6 . 1 1 22 22 ARG CA C 22 56.964 56.964 57.237 -0.273 18203
606 1 6 . 1 1 22 22 ARG CB C 22 29.771 29.771 27.568 2.203 18203
607 1 6 . 1 1 22 22 ARG H H 22 9.179 9.179 8.936 0.243 18203
608 1 6 . 1 1 23 23 CYS N N 23 116.539 116.539 117.852 -1.313 18203
609 1 6 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.654 -0.149 18203
610 1 6 . 1 1 23 23 CYS CA C 23 56.750 56.750 59.306 -2.555 18203
611 1 6 . 1 1 23 23 CYS CB C 23 44.086 44.086 29.105 14.981 18203
612 1 6 . 1 1 23 23 CYS H H 23 8.354 8.354 8.926 -0.572 18203
613 1 7 . 1 1 2 2 GLY N N 2 113.101 113.101 110.494 2.607 18203
614 1 7 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.521 -0.121 18203
615 1 7 . 1 1 2 2 GLY H H 2 8.729 8.729 8.423 0.306 18203
616 1 7 . 1 1 3 3 GLU N N 3 121.656 121.656 121.769 -0.113 18203
617 1 7 . 1 1 3 3 GLU HA H 3 4.115 4.115 3.977 0.138 18203
618 1 7 . 1 1 3 3 GLU CA C 3 58.528 58.528 58.791 -0.263 18203
619 1 7 . 1 1 3 3 GLU CB C 3 29.582 29.582 28.928 0.654 18203
620 1 7 . 1 1 3 3 GLU H H 3 8.866 8.866 8.944 -0.078 18203
621 1 7 . 1 1 4 4 ARG N N 4 121.188 121.188 120.179 1.009 18203
622 1 7 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.093 0.252 18203
623 1 7 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.428 -1.582 18203
624 1 7 . 1 1 4 4 ARG CB C 4 30.275 30.275 28.913 1.362 18203
625 1 7 . 1 1 4 4 ARG H H 4 8.778 8.778 8.634 0.144 18203
626 1 7 . 1 1 5 5 CYS N N 5 118.492 118.492 118.468 0.024 18203
627 1 7 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.259 0.534 18203
628 1 7 . 1 1 5 5 CYS CA C 5 56.003 56.003 62.826 -6.823 18203
629 1 7 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.286 12.905 18203
630 1 7 . 1 1 5 5 CYS H H 5 8.483 8.483 8.551 -0.068 18203
631 1 7 . 1 1 6 6 CYS N N 6 114.976 114.976 119.307 -4.331 18203
632 1 7 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.205 0.301 18203
633 1 7 . 1 1 6 6 CYS CA C 6 56.808 56.808 61.614 -4.806 18203
634 1 7 . 1 1 6 6 CYS CB C 6 42.915 42.915 25.931 16.984 18203
635 1 7 . 1 1 6 6 CYS H H 6 8.506 8.506 8.485 0.021 18203
636 1 7 . 1 1 7 7 LYS N N 7 120.758 120.758 117.756 3.002 18203
637 1 7 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.050 0.263 18203
638 1 7 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.719 -1.831 18203
639 1 7 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.239 0.453 18203
640 1 7 . 1 1 7 7 LYS H H 7 8.003 8.003 8.213 -0.210 18203
641 1 7 . 1 1 8 8 ASN N N 8 118.023 118.023 115.039 2.984 18203
642 1 7 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.881 -0.072 18203
643 1 7 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.359 -0.342 18203
644 1 7 . 1 1 8 8 ASN CB C 8 38.733 38.733 41.602 -2.869 18203
645 1 7 . 1 1 8 8 ASN H H 8 8.635 8.635 7.610 1.025 18203
646 1 7 . 1 1 9 9 GLY N N 9 108.647 108.647 110.817 -2.170 18203
647 1 7 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.850 -1.419 18203
648 1 7 . 1 1 9 9 GLY H H 9 8.273 8.273 8.735 -0.462 18203
649 1 7 . 1 1 10 10 LYS N N 10 121.969 121.969 124.499 -2.530 18203
650 1 7 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.083 0.202 18203
651 1 7 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.136 -0.829 18203
652 1 7 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.020 -2.017 18203
653 1 7 . 1 1 10 10 LYS H H 10 8.595 8.595 8.391 0.204 18203
654 1 7 . 1 1 11 11 ARG N N 11 119.937 119.937 116.530 3.407 18203
655 1 7 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.318 -0.048 18203
656 1 7 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.307 0.075 18203
657 1 7 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.600 -0.563 18203
658 1 7 . 1 1 11 11 ARG H H 11 8.377 8.377 8.021 0.356 18203
659 1 7 . 1 1 12 12 GLY N N 12 107.866 107.866 106.622 1.244 18203
660 1 7 . 1 1 12 12 GLY CA C 12 45.191 45.191 44.922 0.269 18203
661 1 7 . 1 1 12 12 GLY H H 12 8.045 8.045 7.981 0.064 18203
662 1 7 . 1 1 13 13 CYS N N 13 118.687 118.687 119.675 -0.988 18203
663 1 7 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.354 0.352 18203
664 1 7 . 1 1 13 13 CYS CA C 13 56.393 56.393 61.151 -4.758 18203
665 1 7 . 1 1 13 13 CYS CB C 13 43.530 43.530 26.103 17.427 18203
666 1 7 . 1 1 13 13 CYS H H 13 8.174 8.174 7.970 0.204 18203
667 1 7 . 1 1 14 14 GLY N N 14 111.655 111.655 111.182 0.473 18203
668 1 7 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.677 -0.320 18203
669 1 7 . 1 1 14 14 GLY H H 14 8.595 8.595 7.704 0.891 18203
670 1 7 . 1 1 15 15 ARG N N 15 119.859 119.859 119.606 0.253 18203
671 1 7 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.157 -0.350 18203
672 1 7 . 1 1 15 15 ARG CA C 15 60.024 60.024 60.044 -0.020 18203
673 1 7 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.253 -0.147 18203
674 1 7 . 1 1 15 15 ARG H H 15 8.603 8.603 8.870 -0.267 18203
675 1 7 . 1 1 16 16 TRP N N 16 118.804 118.804 120.577 -1.773 18203
676 1 7 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.424 -0.015 18203
677 1 7 . 1 1 16 16 TRP CA C 16 62.774 62.774 60.782 1.992 18203
678 1 7 . 1 1 16 16 TRP CB C 16 28.631 28.631 29.132 -0.501 18203
679 1 7 . 1 1 16 16 TRP H H 16 8.771 8.771 7.682 1.089 18203
680 1 7 . 1 1 17 17 CYS N N 17 118.922 118.922 120.114 -1.192 18203
681 1 7 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.198 0.236 18203
682 1 7 . 1 1 17 17 CYS CA C 17 59.097 59.097 60.938 -1.841 18203
683 1 7 . 1 1 17 17 CYS CB C 17 38.378 38.378 25.671 12.707 18203
684 1 7 . 1 1 17 17 CYS H H 17 9.036 9.036 8.866 0.170 18203
685 1 7 . 1 1 18 18 ARG N N 18 122.086 122.086 120.866 1.220 18203
686 1 7 . 1 1 18 18 ARG HA H 18 3.945 3.945 4.007 -0.062 18203
687 1 7 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.560 0.391 18203
688 1 7 . 1 1 18 18 ARG CB C 18 29.969 29.969 29.998 -0.029 18203
689 1 7 . 1 1 18 18 ARG H H 18 8.843 8.843 8.842 0.001 18203
690 1 7 . 1 1 19 19 ASP N N 19 116.226 116.226 116.308 -0.082 18203
691 1 7 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.548 -0.115 18203
692 1 7 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.865 -0.669 18203
693 1 7 . 1 1 19 19 ASP CB C 19 40.879 40.879 42.026 -1.147 18203
694 1 7 . 1 1 19 19 ASP H H 19 7.696 7.696 8.140 -0.444 18203
695 1 7 . 1 1 20 20 HIS N N 20 113.726 113.726 115.746 -2.020 18203
696 1 7 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.530 -0.027 18203
697 1 7 . 1 1 20 20 HIS CA C 20 56.641 56.641 56.160 0.481 18203
698 1 7 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.576 -1.605 18203
699 1 7 . 1 1 20 20 HIS H H 20 7.545 7.545 8.496 -0.951 18203
700 1 7 . 1 1 21 21 SER N N 21 115.523 115.523 114.560 0.963 18203
701 1 7 . 1 1 21 21 SER HA H 21 4.865 4.865 4.737 0.128 18203
702 1 7 . 1 1 21 21 SER CA C 21 57.689 57.689 57.829 -0.140 18203
703 1 7 . 1 1 21 21 SER CB C 21 66.139 66.139 65.281 0.858 18203
704 1 7 . 1 1 21 21 SER H H 21 8.156 8.156 8.655 -0.499 18203
705 1 7 . 1 1 22 22 ARG N N 22 125.719 125.719 124.868 0.851 18203
706 1 7 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.433 -0.031 18203
707 1 7 . 1 1 22 22 ARG CA C 22 56.964 56.964 56.038 0.926 18203
708 1 7 . 1 1 22 22 ARG CB C 22 29.771 29.771 28.361 1.410 18203
709 1 7 . 1 1 22 22 ARG H H 22 9.179 9.179 8.746 0.433 18203
710 1 7 . 1 1 23 23 CYS N N 23 116.539 116.539 119.616 -3.077 18203
711 1 7 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.659 -0.155 18203
712 1 7 . 1 1 23 23 CYS CA C 23 56.750 56.750 59.188 -2.438 18203
713 1 7 . 1 1 23 23 CYS CB C 23 44.086 44.086 27.166 16.919 18203
714 1 7 . 1 1 23 23 CYS H H 23 8.354 8.354 8.165 0.189 18203
715 1 8 . 1 1 2 2 GLY N N 2 113.101 113.101 111.546 1.555 18203
716 1 8 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.817 -0.417 18203
717 1 8 . 1 1 2 2 GLY H H 2 8.729 8.729 8.476 0.253 18203
718 1 8 . 1 1 3 3 GLU N N 3 121.656 121.656 119.875 1.781 18203
719 1 8 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.201 -0.086 18203
720 1 8 . 1 1 3 3 GLU CA C 3 58.528 58.528 58.743 -0.215 18203
721 1 8 . 1 1 3 3 GLU CB C 3 29.582 29.582 29.259 0.324 18203
722 1 8 . 1 1 3 3 GLU H H 3 8.866 8.866 8.853 0.013 18203
723 1 8 . 1 1 4 4 ARG N N 4 121.188 121.188 118.922 2.266 18203
724 1 8 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.082 0.263 18203
725 1 8 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.134 -1.288 18203
726 1 8 . 1 1 4 4 ARG CB C 4 30.275 30.275 28.727 1.548 18203
727 1 8 . 1 1 4 4 ARG H H 4 8.778 8.778 8.943 -0.165 18203
728 1 8 . 1 1 5 5 CYS N N 5 118.492 118.492 119.597 -1.105 18203
729 1 8 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.206 0.587 18203
730 1 8 . 1 1 5 5 CYS CA C 5 56.003 56.003 62.983 -6.980 18203
731 1 8 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.117 13.074 18203
732 1 8 . 1 1 5 5 CYS H H 5 8.483 8.483 7.889 0.594 18203
733 1 8 . 1 1 6 6 CYS N N 6 114.976 114.976 119.266 -4.290 18203
734 1 8 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.237 0.269 18203
735 1 8 . 1 1 6 6 CYS CA C 6 56.808 56.808 62.005 -5.197 18203
736 1 8 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.317 16.598 18203
737 1 8 . 1 1 6 6 CYS H H 6 8.506 8.506 8.550 -0.044 18203
738 1 8 . 1 1 7 7 LYS N N 7 120.758 120.758 117.879 2.879 18203
739 1 8 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.076 0.237 18203
740 1 8 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.559 -1.671 18203
741 1 8 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.313 0.378 18203
742 1 8 . 1 1 7 7 LYS H H 7 8.003 8.003 8.104 -0.101 18203
743 1 8 . 1 1 8 8 ASN N N 8 118.023 118.023 114.623 3.400 18203
744 1 8 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.802 0.007 18203
745 1 8 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.420 -0.404 18203
746 1 8 . 1 1 8 8 ASN CB C 8 38.733 38.733 40.666 -1.933 18203
747 1 8 . 1 1 8 8 ASN H H 8 8.635 8.635 7.661 0.974 18203
748 1 8 . 1 1 9 9 GLY N N 9 108.647 108.647 109.898 -1.251 18203
749 1 8 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.876 -1.445 18203
750 1 8 . 1 1 9 9 GLY H H 9 8.273 8.273 8.672 -0.399 18203
751 1 8 . 1 1 10 10 LYS N N 10 121.969 121.969 124.826 -2.857 18203
752 1 8 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.007 0.278 18203
753 1 8 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.468 -1.161 18203
754 1 8 . 1 1 10 10 LYS CB C 10 30.004 30.004 31.809 -1.805 18203
755 1 8 . 1 1 10 10 LYS H H 10 8.595 8.595 8.395 0.200 18203
756 1 8 . 1 1 11 11 ARG N N 11 119.937 119.937 116.236 3.701 18203
757 1 8 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.302 -0.032 18203
758 1 8 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.249 0.133 18203
759 1 8 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.507 -0.470 18203
760 1 8 . 1 1 11 11 ARG H H 11 8.377 8.377 7.756 0.621 18203
761 1 8 . 1 1 12 12 GLY N N 12 107.866 107.866 106.568 1.298 18203
762 1 8 . 1 1 12 12 GLY CA C 12 45.191 45.191 45.220 -0.029 18203
763 1 8 . 1 1 12 12 GLY H H 12 8.045 8.045 7.718 0.327 18203
764 1 8 . 1 1 13 13 CYS N N 13 118.687 118.687 119.115 -0.428 18203
765 1 8 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.278 0.428 18203
766 1 8 . 1 1 13 13 CYS CA C 13 56.393 56.393 60.885 -4.492 18203
767 1 8 . 1 1 13 13 CYS CB C 13 43.530 43.530 25.484 18.046 18203
768 1 8 . 1 1 13 13 CYS H H 13 8.174 8.174 7.614 0.560 18203
769 1 8 . 1 1 14 14 GLY N N 14 111.655 111.655 112.319 -0.664 18203
770 1 8 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.840 -0.483 18203
771 1 8 . 1 1 14 14 GLY H H 14 8.595 8.595 7.739 0.856 18203
772 1 8 . 1 1 15 15 ARG N N 15 119.859 119.859 120.516 -0.657 18203
773 1 8 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.044 -0.237 18203
774 1 8 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.126 0.898 18203
775 1 8 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.372 -0.266 18203
776 1 8 . 1 1 15 15 ARG H H 15 8.603 8.603 8.805 -0.202 18203
777 1 8 . 1 1 16 16 TRP N N 16 118.804 118.804 121.917 -3.113 18203
778 1 8 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.475 -0.066 18203
779 1 8 . 1 1 16 16 TRP CA C 16 62.774 62.774 61.361 1.413 18203
780 1 8 . 1 1 16 16 TRP CB C 16 28.631 28.631 29.271 -0.640 18203
781 1 8 . 1 1 16 16 TRP H H 16 8.771 8.771 8.108 0.663 18203
782 1 8 . 1 1 17 17 CYS N N 17 118.922 118.922 119.777 -0.855 18203
783 1 8 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.257 0.177 18203
784 1 8 . 1 1 17 17 CYS CA C 17 59.097 59.097 60.571 -1.474 18203
785 1 8 . 1 1 17 17 CYS CB C 17 38.378 38.378 25.732 12.646 18203
786 1 8 . 1 1 17 17 CYS H H 17 9.036 9.036 8.874 0.162 18203
787 1 8 . 1 1 18 18 ARG N N 18 122.086 122.086 120.701 1.385 18203
788 1 8 . 1 1 18 18 ARG HA H 18 3.945 3.945 4.005 -0.060 18203
789 1 8 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.552 0.399 18203
790 1 8 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.078 -0.109 18203
791 1 8 . 1 1 18 18 ARG H H 18 8.843 8.843 8.716 0.127 18203
792 1 8 . 1 1 19 19 ASP N N 19 116.226 116.226 116.162 0.064 18203
793 1 8 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.546 -0.113 18203
794 1 8 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.747 -0.551 18203
795 1 8 . 1 1 19 19 ASP CB C 19 40.879 40.879 42.077 -1.198 18203
796 1 8 . 1 1 19 19 ASP H H 19 7.696 7.696 8.223 -0.527 18203
797 1 8 . 1 1 20 20 HIS N N 20 113.726 113.726 116.559 -2.833 18203
798 1 8 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.566 -0.063 18203
799 1 8 . 1 1 20 20 HIS CA C 20 56.641 56.641 55.957 0.684 18203
800 1 8 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.410 -1.439 18203
801 1 8 . 1 1 20 20 HIS H H 20 7.545 7.545 8.743 -1.198 18203
802 1 8 . 1 1 21 21 SER N N 21 115.523 115.523 114.634 0.889 18203
803 1 8 . 1 1 21 21 SER HA H 21 4.865 4.865 4.734 0.131 18203
804 1 8 . 1 1 21 21 SER CA C 21 57.689 57.689 57.263 0.426 18203
805 1 8 . 1 1 21 21 SER CB C 21 66.139 66.139 65.765 0.374 18203
806 1 8 . 1 1 21 21 SER H H 21 8.156 8.156 8.318 -0.162 18203
807 1 8 . 1 1 22 22 ARG N N 22 125.719 125.719 121.502 4.217 18203
808 1 8 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.532 -0.130 18203
809 1 8 . 1 1 22 22 ARG CA C 22 56.964 56.964 56.066 0.898 18203
810 1 8 . 1 1 22 22 ARG CB C 22 29.771 29.771 30.142 -0.371 18203
811 1 8 . 1 1 22 22 ARG H H 22 9.179 9.179 8.481 0.698 18203
812 1 8 . 1 1 23 23 CYS N N 23 116.539 116.539 119.041 -2.502 18203
813 1 8 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.716 -0.212 18203
814 1 8 . 1 1 23 23 CYS CA C 23 56.750 56.750 58.849 -2.099 18203
815 1 8 . 1 1 23 23 CYS CB C 23 44.086 44.086 26.307 17.779 18203
816 1 8 . 1 1 23 23 CYS H H 23 8.354 8.354 8.639 -0.285 18203
817 1 9 . 1 1 2 2 GLY N N 2 113.101 113.101 110.037 3.064 18203
818 1 9 . 1 1 2 2 GLY CA C 2 45.400 45.400 46.778 -1.378 18203
819 1 9 . 1 1 2 2 GLY H H 2 8.729 8.729 8.198 0.531 18203
820 1 9 . 1 1 3 3 GLU N N 3 121.656 121.656 121.001 0.655 18203
821 1 9 . 1 1 3 3 GLU HA H 3 4.115 4.115 3.920 0.195 18203
822 1 9 . 1 1 3 3 GLU CA C 3 58.528 58.528 59.614 -1.087 18203
823 1 9 . 1 1 3 3 GLU CB C 3 29.582 29.582 29.126 0.456 18203
824 1 9 . 1 1 3 3 GLU H H 3 8.866 8.866 8.613 0.253 18203
825 1 9 . 1 1 4 4 ARG N N 4 121.188 121.188 118.751 2.437 18203
826 1 9 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.136 0.209 18203
827 1 9 . 1 1 4 4 ARG CA C 4 56.846 56.846 57.272 -0.426 18203
828 1 9 . 1 1 4 4 ARG CB C 4 30.275 30.275 28.648 1.627 18203
829 1 9 . 1 1 4 4 ARG H H 4 8.778 8.778 8.813 -0.035 18203
830 1 9 . 1 1 5 5 CYS N N 5 118.492 118.492 120.312 -1.820 18203
831 1 9 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.255 0.538 18203
832 1 9 . 1 1 5 5 CYS CA C 5 56.003 56.003 63.356 -7.353 18203
833 1 9 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.127 13.064 18203
834 1 9 . 1 1 5 5 CYS H H 5 8.483 8.483 8.905 -0.422 18203
835 1 9 . 1 1 6 6 CYS N N 6 114.976 114.976 119.258 -4.282 18203
836 1 9 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.226 0.280 18203
837 1 9 . 1 1 6 6 CYS CA C 6 56.808 56.808 62.155 -5.347 18203
838 1 9 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.204 16.711 18203
839 1 9 . 1 1 6 6 CYS H H 6 8.506 8.506 8.659 -0.153 18203
840 1 9 . 1 1 7 7 LYS N N 7 120.758 120.758 117.689 3.069 18203
841 1 9 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.147 0.166 18203
842 1 9 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.282 -1.394 18203
843 1 9 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.267 0.423 18203
844 1 9 . 1 1 7 7 LYS H H 7 8.003 8.003 7.651 0.352 18203
845 1 9 . 1 1 8 8 ASN N N 8 118.023 118.023 114.828 3.195 18203
846 1 9 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.777 0.032 18203
847 1 9 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.339 -0.322 18203
848 1 9 . 1 1 8 8 ASN CB C 8 38.733 38.733 40.752 -2.019 18203
849 1 9 . 1 1 8 8 ASN H H 8 8.635 8.635 7.801 0.834 18203
850 1 9 . 1 1 9 9 GLY N N 9 108.647 108.647 110.430 -1.783 18203
851 1 9 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.569 -1.138 18203
852 1 9 . 1 1 9 9 GLY H H 9 8.273 8.273 8.891 -0.618 18203
853 1 9 . 1 1 10 10 LYS N N 10 121.969 121.969 124.467 -2.498 18203
854 1 9 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.054 0.231 18203
855 1 9 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.316 -1.009 18203
856 1 9 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.114 -2.110 18203
857 1 9 . 1 1 10 10 LYS H H 10 8.595 8.595 8.311 0.284 18203
858 1 9 . 1 1 11 11 ARG N N 11 119.937 119.937 115.670 4.267 18203
859 1 9 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.279 -0.009 18203
860 1 9 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.731 -0.349 18203
861 1 9 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.514 -0.477 18203
862 1 9 . 1 1 11 11 ARG H H 11 8.377 8.377 7.653 0.724 18203
863 1 9 . 1 1 12 12 GLY N N 12 107.866 107.866 106.754 1.112 18203
864 1 9 . 1 1 12 12 GLY CA C 12 45.191 45.191 45.384 -0.193 18203
865 1 9 . 1 1 12 12 GLY H H 12 8.045 8.045 7.536 0.509 18203
866 1 9 . 1 1 13 13 CYS N N 13 118.687 118.687 118.962 -0.275 18203
867 1 9 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.239 0.467 18203
868 1 9 . 1 1 13 13 CYS CA C 13 56.393 56.393 61.150 -4.757 18203
869 1 9 . 1 1 13 13 CYS CB C 13 43.530 43.530 25.695 17.835 18203
870 1 9 . 1 1 13 13 CYS H H 13 8.174 8.174 7.812 0.362 18203
871 1 9 . 1 1 14 14 GLY N N 14 111.655 111.655 113.667 -2.012 18203
872 1 9 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.683 -0.326 18203
873 1 9 . 1 1 14 14 GLY H H 14 8.595 8.595 7.685 0.910 18203
874 1 9 . 1 1 15 15 ARG N N 15 119.859 119.859 120.834 -0.975 18203
875 1 9 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.102 -0.295 18203
876 1 9 . 1 1 15 15 ARG CA C 15 60.024 60.024 60.205 -0.181 18203
877 1 9 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.209 -0.103 18203
878 1 9 . 1 1 15 15 ARG H H 15 8.603 8.603 8.886 -0.283 18203
879 1 9 . 1 1 16 16 TRP N N 16 118.804 118.804 119.832 -1.028 18203
880 1 9 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.459 -0.050 18203
881 1 9 . 1 1 16 16 TRP CA C 16 62.774 62.774 60.623 2.151 18203
882 1 9 . 1 1 16 16 TRP CB C 16 28.631 28.631 28.956 -0.325 18203
883 1 9 . 1 1 16 16 TRP H H 16 8.771 8.771 7.809 0.962 18203
884 1 9 . 1 1 17 17 CYS N N 17 118.922 118.922 119.513 -0.591 18203
885 1 9 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.283 0.151 18203
886 1 9 . 1 1 17 17 CYS CA C 17 59.097 59.097 60.713 -1.616 18203
887 1 9 . 1 1 17 17 CYS CB C 17 38.378 38.378 25.707 12.671 18203
888 1 9 . 1 1 17 17 CYS H H 17 9.036 9.036 8.838 0.198 18203
889 1 9 . 1 1 18 18 ARG N N 18 122.086 122.086 120.460 1.626 18203
890 1 9 . 1 1 18 18 ARG HA H 18 3.945 3.945 4.041 -0.096 18203
891 1 9 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.550 0.401 18203
892 1 9 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.162 -0.193 18203
893 1 9 . 1 1 18 18 ARG H H 18 8.843 8.843 8.766 0.077 18203
894 1 9 . 1 1 19 19 ASP N N 19 116.226 116.226 116.202 0.024 18203
895 1 9 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.570 -0.137 18203
896 1 9 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.742 -0.546 18203
897 1 9 . 1 1 19 19 ASP CB C 19 40.879 40.879 42.092 -1.213 18203
898 1 9 . 1 1 19 19 ASP H H 19 7.696 7.696 8.235 -0.539 18203
899 1 9 . 1 1 20 20 HIS N N 20 113.726 113.726 116.859 -3.133 18203
900 1 9 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.563 -0.060 18203
901 1 9 . 1 1 20 20 HIS CA C 20 56.641 56.641 56.487 0.154 18203
902 1 9 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.825 -1.854 18203
903 1 9 . 1 1 20 20 HIS H H 20 7.545 7.545 8.699 -1.154 18203
904 1 9 . 1 1 21 21 SER N N 21 115.523 115.523 114.042 1.481 18203
905 1 9 . 1 1 21 21 SER HA H 21 4.865 4.865 4.768 0.097 18203
906 1 9 . 1 1 21 21 SER CA C 21 57.689 57.689 57.429 0.260 18203
907 1 9 . 1 1 21 21 SER CB C 21 66.139 66.139 66.086 0.053 18203
908 1 9 . 1 1 21 21 SER H H 21 8.156 8.156 8.307 -0.151 18203
909 1 9 . 1 1 22 22 ARG N N 22 125.719 125.719 120.697 5.022 18203
910 1 9 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.557 -0.155 18203
911 1 9 . 1 1 22 22 ARG CA C 22 56.964 56.964 55.962 1.002 18203
912 1 9 . 1 1 22 22 ARG CB C 22 29.771 29.771 29.903 -0.132 18203
913 1 9 . 1 1 22 22 ARG H H 22 9.179 9.179 8.482 0.697 18203
914 1 9 . 1 1 23 23 CYS N N 23 116.539 116.539 119.055 -2.516 18203
915 1 9 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.722 -0.218 18203
916 1 9 . 1 1 23 23 CYS CA C 23 56.750 56.750 58.686 -1.936 18203
917 1 9 . 1 1 23 23 CYS CB C 23 44.086 44.086 26.239 17.847 18203
918 1 9 . 1 1 23 23 CYS H H 23 8.354 8.354 8.532 -0.178 18203
919 1 10 . 1 1 2 2 GLY N N 2 113.101 113.101 107.364 5.737 18203
920 1 10 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.345 0.055 18203
921 1 10 . 1 1 2 2 GLY H H 2 8.729 8.729 8.755 -0.026 18203
922 1 10 . 1 1 3 3 GLU N N 3 121.656 121.656 120.839 0.817 18203
923 1 10 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.074 0.041 18203
924 1 10 . 1 1 3 3 GLU CA C 3 58.528 58.528 58.936 -0.408 18203
925 1 10 . 1 1 3 3 GLU CB C 3 29.582 29.582 29.031 0.551 18203
926 1 10 . 1 1 3 3 GLU H H 3 8.866 8.866 8.987 -0.121 18203
927 1 10 . 1 1 4 4 ARG N N 4 121.188 121.188 118.838 2.350 18203
928 1 10 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.179 0.166 18203
929 1 10 . 1 1 4 4 ARG CA C 4 56.846 56.846 57.207 -0.361 18203
930 1 10 . 1 1 4 4 ARG CB C 4 30.275 30.275 28.742 1.533 18203
931 1 10 . 1 1 4 4 ARG H H 4 8.778 8.778 8.292 0.486 18203
932 1 10 . 1 1 5 5 CYS N N 5 118.492 118.492 119.870 -1.378 18203
933 1 10 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.481 0.312 18203
934 1 10 . 1 1 5 5 CYS CA C 5 56.003 56.003 62.894 -6.891 18203
935 1 10 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.552 12.639 18203
936 1 10 . 1 1 5 5 CYS H H 5 8.483 8.483 8.511 -0.028 18203
937 1 10 . 1 1 6 6 CYS N N 6 114.976 114.976 119.137 -4.161 18203
938 1 10 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.199 0.307 18203
939 1 10 . 1 1 6 6 CYS CA C 6 56.808 56.808 61.973 -5.165 18203
940 1 10 . 1 1 6 6 CYS CB C 6 42.915 42.915 25.956 16.959 18203
941 1 10 . 1 1 6 6 CYS H H 6 8.506 8.506 8.662 -0.156 18203
942 1 10 . 1 1 7 7 LYS N N 7 120.758 120.758 118.451 2.307 18203
943 1 10 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.053 0.260 18203
944 1 10 . 1 1 7 7 LYS CA C 7 56.888 56.888 59.054 -2.167 18203
945 1 10 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.318 0.373 18203
946 1 10 . 1 1 7 7 LYS H H 7 8.003 8.003 7.689 0.314 18203
947 1 10 . 1 1 8 8 ASN N N 8 118.023 118.023 114.976 3.047 18203
948 1 10 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.855 -0.046 18203
949 1 10 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.916 -0.899 18203
950 1 10 . 1 1 8 8 ASN CB C 8 38.733 38.733 40.986 -2.252 18203
951 1 10 . 1 1 8 8 ASN H H 8 8.635 8.635 7.656 0.979 18203
952 1 10 . 1 1 9 9 GLY N N 9 108.647 108.647 110.234 -1.587 18203
953 1 10 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.969 -1.538 18203
954 1 10 . 1 1 9 9 GLY H H 9 8.273 8.273 8.914 -0.641 18203
955 1 10 . 1 1 10 10 LYS N N 10 121.969 121.969 124.926 -2.957 18203
956 1 10 . 1 1 10 10 LYS HA H 10 4.285 4.285 3.995 0.290 18203
957 1 10 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.990 -1.683 18203
958 1 10 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.340 -2.337 18203
959 1 10 . 1 1 10 10 LYS H H 10 8.595 8.595 8.431 0.164 18203
960 1 10 . 1 1 11 11 ARG N N 11 119.937 119.937 116.835 3.102 18203
961 1 10 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.213 0.057 18203
962 1 10 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.380 0.002 18203
963 1 10 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.495 -0.458 18203
964 1 10 . 1 1 11 11 ARG H H 11 8.377 8.377 7.997 0.380 18203
965 1 10 . 1 1 12 12 GLY N N 12 107.866 107.866 105.019 2.847 18203
966 1 10 . 1 1 12 12 GLY CA C 12 45.191 45.191 44.414 0.777 18203
967 1 10 . 1 1 12 12 GLY H H 12 8.045 8.045 7.702 0.343 18203
968 1 10 . 1 1 13 13 CYS N N 13 118.687 118.687 122.139 -3.452 18203
969 1 10 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.683 0.023 18203
970 1 10 . 1 1 13 13 CYS CA C 13 56.393 56.393 58.367 -1.974 18203
971 1 10 . 1 1 13 13 CYS CB C 13 43.530 43.530 24.858 18.672 18203
972 1 10 . 1 1 13 13 CYS H H 13 8.174 8.174 7.656 0.518 18203
973 1 10 . 1 1 14 14 GLY N N 14 111.655 111.655 113.320 -1.665 18203
974 1 10 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.906 -0.549 18203
975 1 10 . 1 1 14 14 GLY H H 14 8.595 8.595 7.664 0.931 18203
976 1 10 . 1 1 15 15 ARG N N 15 119.859 119.859 119.714 0.145 18203
977 1 10 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.039 -0.232 18203
978 1 10 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.226 0.798 18203
979 1 10 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.389 -0.283 18203
980 1 10 . 1 1 15 15 ARG H H 15 8.603 8.603 8.823 -0.220 18203
981 1 10 . 1 1 16 16 TRP N N 16 118.804 118.804 121.984 -3.180 18203
982 1 10 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.452 -0.043 18203
983 1 10 . 1 1 16 16 TRP CA C 16 62.774 62.774 61.657 1.117 18203
984 1 10 . 1 1 16 16 TRP CB C 16 28.631 28.631 29.063 -0.432 18203
985 1 10 . 1 1 16 16 TRP H H 16 8.771 8.771 8.129 0.642 18203
986 1 10 . 1 1 17 17 CYS N N 17 118.922 118.922 119.496 -0.574 18203
987 1 10 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.143 0.291 18203
988 1 10 . 1 1 17 17 CYS CA C 17 59.097 59.097 60.851 -1.754 18203
989 1 10 . 1 1 17 17 CYS CB C 17 38.378 38.378 26.028 12.350 18203
990 1 10 . 1 1 17 17 CYS H H 17 9.036 9.036 8.557 0.479 18203
991 1 10 . 1 1 18 18 ARG N N 18 122.086 122.086 120.755 1.331 18203
992 1 10 . 1 1 18 18 ARG HA H 18 3.945 3.945 4.029 -0.084 18203
993 1 10 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.989 -0.038 18203
994 1 10 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.077 -0.108 18203
995 1 10 . 1 1 18 18 ARG H H 18 8.843 8.843 8.839 0.004 18203
996 1 10 . 1 1 19 19 ASP N N 19 116.226 116.226 117.712 -1.486 18203
997 1 10 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.590 -0.157 18203
998 1 10 . 1 1 19 19 ASP CA C 19 55.196 55.196 56.043 -0.847 18203
999 1 10 . 1 1 19 19 ASP CB C 19 40.879 40.879 41.187 -0.308 18203
1000 1 10 . 1 1 19 19 ASP H H 19 7.696 7.696 8.341 -0.645 18203
1001 1 10 . 1 1 20 20 HIS N N 20 113.726 113.726 118.155 -4.429 18203
1002 1 10 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.427 0.076 18203
1003 1 10 . 1 1 20 20 HIS CA C 20 56.641 56.641 56.486 0.155 18203
1004 1 10 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.044 -1.073 18203
1005 1 10 . 1 1 20 20 HIS H H 20 7.545 7.545 8.782 -1.237 18203
1006 1 10 . 1 1 21 21 SER N N 21 115.523 115.523 114.319 1.204 18203
1007 1 10 . 1 1 21 21 SER HA H 21 4.865 4.865 4.674 0.191 18203
1008 1 10 . 1 1 21 21 SER CA C 21 57.689 57.689 57.763 -0.074 18203
1009 1 10 . 1 1 21 21 SER CB C 21 66.139 66.139 65.136 1.003 18203
1010 1 10 . 1 1 21 21 SER H H 21 8.156 8.156 8.525 -0.369 18203
1011 1 10 . 1 1 22 22 ARG N N 22 125.719 125.719 125.980 -0.261 18203
1012 1 10 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.377 0.025 18203
1013 1 10 . 1 1 22 22 ARG CA C 22 56.964 56.964 56.236 0.728 18203
1014 1 10 . 1 1 22 22 ARG CB C 22 29.771 29.771 27.295 2.476 18203
1015 1 10 . 1 1 22 22 ARG H H 22 9.179 9.179 8.814 0.365 18203
1016 1 10 . 1 1 23 23 CYS N N 23 116.539 116.539 118.669 -2.130 18203
1017 1 10 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.715 -0.211 18203
1018 1 10 . 1 1 23 23 CYS CA C 23 56.750 56.750 58.899 -2.149 18203
1019 1 10 . 1 1 23 23 CYS CB C 23 44.086 44.086 28.064 16.022 18203
1020 1 10 . 1 1 23 23 CYS H H 23 8.354 8.354 8.548 -0.194 18203
1021 1 11 . 1 1 2 2 GLY N N 2 113.101 113.101 107.467 5.634 18203
1022 1 11 . 1 1 2 2 GLY CA C 2 45.400 45.400 46.076 -0.676 18203
1023 1 11 . 1 1 2 2 GLY H H 2 8.729 8.729 8.712 0.017 18203
1024 1 11 . 1 1 3 3 GLU N N 3 121.656 121.656 123.135 -1.479 18203
1025 1 11 . 1 1 3 3 GLU HA H 3 4.115 4.115 3.888 0.227 18203
1026 1 11 . 1 1 3 3 GLU CA C 3 58.528 58.528 58.820 -0.292 18203
1027 1 11 . 1 1 3 3 GLU CB C 3 29.582 29.582 28.643 0.939 18203
1028 1 11 . 1 1 3 3 GLU H H 3 8.866 8.866 8.706 0.160 18203
1029 1 11 . 1 1 4 4 ARG N N 4 121.188 121.188 120.031 1.157 18203
1030 1 11 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.091 0.254 18203
1031 1 11 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.504 -1.658 18203
1032 1 11 . 1 1 4 4 ARG CB C 4 30.275 30.275 29.221 1.054 18203
1033 1 11 . 1 1 4 4 ARG H H 4 8.778 8.778 8.534 0.244 18203
1034 1 11 . 1 1 5 5 CYS N N 5 118.492 118.492 118.397 0.095 18203
1035 1 11 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.296 0.497 18203
1036 1 11 . 1 1 5 5 CYS CA C 5 56.003 56.003 63.057 -7.054 18203
1037 1 11 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.120 13.071 18203
1038 1 11 . 1 1 5 5 CYS H H 5 8.483 8.483 8.921 -0.438 18203
1039 1 11 . 1 1 6 6 CYS N N 6 114.976 114.976 118.258 -3.282 18203
1040 1 11 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.319 0.187 18203
1041 1 11 . 1 1 6 6 CYS CA C 6 56.808 56.808 60.622 -3.814 18203
1042 1 11 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.449 16.466 18203
1043 1 11 . 1 1 6 6 CYS H H 6 8.506 8.506 7.990 0.516 18203
1044 1 11 . 1 1 7 7 LYS N N 7 120.758 120.758 118.906 1.852 18203
1045 1 11 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.072 0.241 18203
1046 1 11 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.596 -1.708 18203
1047 1 11 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.483 0.208 18203
1048 1 11 . 1 1 7 7 LYS H H 7 8.003 8.003 8.125 -0.122 18203
1049 1 11 . 1 1 8 8 ASN N N 8 118.023 118.023 114.327 3.696 18203
1050 1 11 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.853 -0.044 18203
1051 1 11 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.301 -0.284 18203
1052 1 11 . 1 1 8 8 ASN CB C 8 38.733 38.733 40.277 -1.544 18203
1053 1 11 . 1 1 8 8 ASN H H 8 8.635 8.635 8.076 0.559 18203
1054 1 11 . 1 1 9 9 GLY N N 9 108.647 108.647 110.432 -1.785 18203
1055 1 11 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.799 -1.368 18203
1056 1 11 . 1 1 9 9 GLY H H 9 8.273 8.273 8.363 -0.090 18203
1057 1 11 . 1 1 10 10 LYS N N 10 121.969 121.969 124.849 -2.880 18203
1058 1 11 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.019 0.266 18203
1059 1 11 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.676 -1.369 18203
1060 1 11 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.104 -2.100 18203
1061 1 11 . 1 1 10 10 LYS H H 10 8.595 8.595 8.442 0.153 18203
1062 1 11 . 1 1 11 11 ARG N N 11 119.937 119.937 116.395 3.542 18203
1063 1 11 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.330 -0.060 18203
1064 1 11 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.650 -0.268 18203
1065 1 11 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.714 -0.677 18203
1066 1 11 . 1 1 11 11 ARG H H 11 8.377 8.377 7.870 0.507 18203
1067 1 11 . 1 1 12 12 GLY N N 12 107.866 107.866 107.705 0.161 18203
1068 1 11 . 1 1 12 12 GLY CA C 12 45.191 45.191 45.477 -0.286 18203
1069 1 11 . 1 1 12 12 GLY H H 12 8.045 8.045 7.735 0.310 18203
1070 1 11 . 1 1 13 13 CYS N N 13 118.687 118.687 121.149 -2.462 18203
1071 1 11 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.354 0.352 18203
1072 1 11 . 1 1 13 13 CYS CA C 13 56.393 56.393 61.096 -4.703 18203
1073 1 11 . 1 1 13 13 CYS CB C 13 43.530 43.530 25.188 18.342 18203
1074 1 11 . 1 1 13 13 CYS H H 13 8.174 8.174 7.988 0.186 18203
1075 1 11 . 1 1 14 14 GLY N N 14 111.655 111.655 112.818 -1.163 18203
1076 1 11 . 1 1 14 14 GLY CA C 14 44.357 44.357 45.033 -0.676 18203
1077 1 11 . 1 1 14 14 GLY H H 14 8.595 8.595 7.727 0.868 18203
1078 1 11 . 1 1 15 15 ARG N N 15 119.859 119.859 119.976 -0.117 18203
1079 1 11 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.017 -0.210 18203
1080 1 11 . 1 1 15 15 ARG CA C 15 60.024 60.024 58.997 1.027 18203
1081 1 11 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.416 -0.310 18203
1082 1 11 . 1 1 15 15 ARG H H 15 8.603 8.603 8.800 -0.197 18203
1083 1 11 . 1 1 16 16 TRP N N 16 118.804 118.804 121.984 -3.180 18203
1084 1 11 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.429 -0.020 18203
1085 1 11 . 1 1 16 16 TRP CA C 16 62.774 62.774 60.784 1.990 18203
1086 1 11 . 1 1 16 16 TRP CB C 16 28.631 28.631 28.937 -0.306 18203
1087 1 11 . 1 1 16 16 TRP H H 16 8.771 8.771 8.249 0.522 18203
1088 1 11 . 1 1 17 17 CYS N N 17 118.922 118.922 119.893 -0.971 18203
1089 1 11 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.023 0.411 18203
1090 1 11 . 1 1 17 17 CYS CA C 17 59.097 59.097 62.101 -3.004 18203
1091 1 11 . 1 1 17 17 CYS CB C 17 38.378 38.378 26.229 12.149 18203
1092 1 11 . 1 1 17 17 CYS H H 17 9.036 9.036 8.218 0.818 18203
1093 1 11 . 1 1 18 18 ARG N N 18 122.086 122.086 120.095 1.991 18203
1094 1 11 . 1 1 18 18 ARG HA H 18 3.945 3.945 3.974 -0.029 18203
1095 1 11 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.804 0.147 18203
1096 1 11 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.235 -0.266 18203
1097 1 11 . 1 1 18 18 ARG H H 18 8.843 8.843 8.512 0.331 18203
1098 1 11 . 1 1 19 19 ASP N N 19 116.226 116.226 114.791 1.435 18203
1099 1 11 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.570 -0.137 18203
1100 1 11 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.740 -0.544 18203
1101 1 11 . 1 1 19 19 ASP CB C 19 40.879 40.879 41.736 -0.856 18203
1102 1 11 . 1 1 19 19 ASP H H 19 7.696 7.696 8.001 -0.305 18203
1103 1 11 . 1 1 20 20 HIS N N 20 113.726 113.726 116.573 -2.847 18203
1104 1 11 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.635 -0.132 18203
1105 1 11 . 1 1 20 20 HIS CA C 20 56.641 56.641 55.983 0.658 18203
1106 1 11 . 1 1 20 20 HIS CB C 20 28.971 28.971 31.173 -2.202 18203
1107 1 11 . 1 1 20 20 HIS H H 20 7.545 7.545 8.380 -0.835 18203
1108 1 11 . 1 1 21 21 SER N N 21 115.523 115.523 114.068 1.455 18203
1109 1 11 . 1 1 21 21 SER HA H 21 4.865 4.865 4.659 0.206 18203
1110 1 11 . 1 1 21 21 SER CA C 21 57.689 57.689 57.727 -0.038 18203
1111 1 11 . 1 1 21 21 SER CB C 21 66.139 66.139 64.502 1.637 18203
1112 1 11 . 1 1 21 21 SER H H 21 8.156 8.156 8.636 -0.480 18203
1113 1 11 . 1 1 22 22 ARG N N 22 125.719 125.719 126.003 -0.284 18203
1114 1 11 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.354 0.048 18203
1115 1 11 . 1 1 22 22 ARG CA C 22 56.964 56.964 56.897 0.067 18203
1116 1 11 . 1 1 22 22 ARG CB C 22 29.771 29.771 28.314 1.456 18203
1117 1 11 . 1 1 22 22 ARG H H 22 9.179 9.179 8.796 0.383 18203
1118 1 11 . 1 1 23 23 CYS N N 23 116.539 116.539 120.169 -3.630 18203
1119 1 11 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.793 -0.289 18203
1120 1 11 . 1 1 23 23 CYS CA C 23 56.750 56.750 58.519 -1.769 18203
1121 1 11 . 1 1 23 23 CYS CB C 23 44.086 44.086 27.047 17.039 18203
1122 1 11 . 1 1 23 23 CYS H H 23 8.354 8.354 8.345 0.009 18203
1123 1 12 . 1 1 2 2 GLY N N 2 113.101 113.101 113.497 -0.396 18203
1124 1 12 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.485 -0.085 18203
1125 1 12 . 1 1 2 2 GLY H H 2 8.729 8.729 8.638 0.091 18203
1126 1 12 . 1 1 3 3 GLU N N 3 121.656 121.656 121.006 0.650 18203
1127 1 12 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.004 0.111 18203
1128 1 12 . 1 1 3 3 GLU CA C 3 58.528 58.528 58.808 -0.280 18203
1129 1 12 . 1 1 3 3 GLU CB C 3 29.582 29.582 29.159 0.423 18203
1130 1 12 . 1 1 3 3 GLU H H 3 8.866 8.866 8.920 -0.054 18203
1131 1 12 . 1 1 4 4 ARG N N 4 121.188 121.188 119.509 1.679 18203
1132 1 12 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.071 0.274 18203
1133 1 12 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.204 -1.358 18203
1134 1 12 . 1 1 4 4 ARG CB C 4 30.275 30.275 28.829 1.446 18203
1135 1 12 . 1 1 4 4 ARG H H 4 8.778 8.778 8.143 0.635 18203
1136 1 12 . 1 1 5 5 CYS N N 5 118.492 118.492 118.364 0.128 18203
1137 1 12 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.214 0.579 18203
1138 1 12 . 1 1 5 5 CYS CA C 5 56.003 56.003 63.393 -7.390 18203
1139 1 12 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.106 13.085 18203
1140 1 12 . 1 1 5 5 CYS H H 5 8.483 8.483 8.611 -0.128 18203
1141 1 12 . 1 1 6 6 CYS N N 6 114.976 114.976 119.203 -4.227 18203
1142 1 12 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.249 0.257 18203
1143 1 12 . 1 1 6 6 CYS CA C 6 56.808 56.808 61.001 -4.193 18203
1144 1 12 . 1 1 6 6 CYS CB C 6 42.915 42.915 25.723 17.192 18203
1145 1 12 . 1 1 6 6 CYS H H 6 8.506 8.506 8.196 0.310 18203
1146 1 12 . 1 1 7 7 LYS N N 7 120.758 120.758 119.645 1.113 18203
1147 1 12 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.038 0.275 18203
1148 1 12 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.658 -1.770 18203
1149 1 12 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.121 0.570 18203
1150 1 12 . 1 1 7 7 LYS H H 7 8.003 8.003 8.000 0.003 18203
1151 1 12 . 1 1 8 8 ASN N N 8 118.023 118.023 114.403 3.620 18203
1152 1 12 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.821 -0.012 18203
1153 1 12 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.179 -0.162 18203
1154 1 12 . 1 1 8 8 ASN CB C 8 38.733 38.733 40.683 -1.950 18203
1155 1 12 . 1 1 8 8 ASN H H 8 8.635 8.635 7.696 0.939 18203
1156 1 12 . 1 1 9 9 GLY N N 9 108.647 108.647 110.166 -1.519 18203
1157 1 12 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.797 -1.366 18203
1158 1 12 . 1 1 9 9 GLY H H 9 8.273 8.273 8.485 -0.212 18203
1159 1 12 . 1 1 10 10 LYS N N 10 121.969 121.969 124.144 -2.175 18203
1160 1 12 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.036 0.249 18203
1161 1 12 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.254 -0.947 18203
1162 1 12 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.117 -2.113 18203
1163 1 12 . 1 1 10 10 LYS H H 10 8.595 8.595 8.427 0.168 18203
1164 1 12 . 1 1 11 11 ARG N N 11 119.937 119.937 116.648 3.289 18203
1165 1 12 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.276 -0.006 18203
1166 1 12 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.544 -0.162 18203
1167 1 12 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.445 -0.408 18203
1168 1 12 . 1 1 11 11 ARG H H 11 8.377 8.377 8.093 0.284 18203
1169 1 12 . 1 1 12 12 GLY N N 12 107.866 107.866 107.599 0.267 18203
1170 1 12 . 1 1 12 12 GLY CA C 12 45.191 45.191 45.633 -0.442 18203
1171 1 12 . 1 1 12 12 GLY H H 12 8.045 8.045 7.852 0.193 18203
1172 1 12 . 1 1 13 13 CYS N N 13 118.687 118.687 119.915 -1.228 18203
1173 1 12 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.245 0.461 18203
1174 1 12 . 1 1 13 13 CYS CA C 13 56.393 56.393 61.507 -5.114 18203
1175 1 12 . 1 1 13 13 CYS CB C 13 43.530 43.530 25.407 18.123 18203
1176 1 12 . 1 1 13 13 CYS H H 13 8.174 8.174 7.676 0.498 18203
1177 1 12 . 1 1 14 14 GLY N N 14 111.655 111.655 111.838 -0.183 18203
1178 1 12 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.941 -0.585 18203
1179 1 12 . 1 1 14 14 GLY H H 14 8.595 8.595 7.747 0.848 18203
1180 1 12 . 1 1 15 15 ARG N N 15 119.859 119.859 120.344 -0.485 18203
1181 1 12 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.059 -0.252 18203
1182 1 12 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.271 0.753 18203
1183 1 12 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.108 -0.002 18203
1184 1 12 . 1 1 15 15 ARG H H 15 8.603 8.603 8.736 -0.133 18203
1185 1 12 . 1 1 16 16 TRP N N 16 118.804 118.804 121.476 -2.672 18203
1186 1 12 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.387 0.022 18203
1187 1 12 . 1 1 16 16 TRP CA C 16 62.774 62.774 61.227 1.547 18203
1188 1 12 . 1 1 16 16 TRP CB C 16 28.631 28.631 29.278 -0.647 18203
1189 1 12 . 1 1 16 16 TRP H H 16 8.771 8.771 8.123 0.648 18203
1190 1 12 . 1 1 17 17 CYS N N 17 118.922 118.922 119.856 -0.934 18203
1191 1 12 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.249 0.185 18203
1192 1 12 . 1 1 17 17 CYS CA C 17 59.097 59.097 60.982 -1.885 18203
1193 1 12 . 1 1 17 17 CYS CB C 17 38.378 38.378 25.685 12.693 18203
1194 1 12 . 1 1 17 17 CYS H H 17 9.036 9.036 8.838 0.198 18203
1195 1 12 . 1 1 18 18 ARG N N 18 122.086 122.086 119.680 2.406 18203
1196 1 12 . 1 1 18 18 ARG HA H 18 3.945 3.945 4.051 -0.106 18203
1197 1 12 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.612 0.339 18203
1198 1 12 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.146 -0.177 18203
1199 1 12 . 1 1 18 18 ARG H H 18 8.843 8.843 8.829 0.014 18203
1200 1 12 . 1 1 19 19 ASP N N 19 116.226 116.226 116.239 -0.013 18203
1201 1 12 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.580 -0.147 18203
1202 1 12 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.794 -0.598 18203
1203 1 12 . 1 1 19 19 ASP CB C 19 40.879 40.879 42.261 -1.382 18203
1204 1 12 . 1 1 19 19 ASP H H 19 7.696 7.696 8.171 -0.475 18203
1205 1 12 . 1 1 20 20 HIS N N 20 113.726 113.726 116.533 -2.807 18203
1206 1 12 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.484 0.019 18203
1207 1 12 . 1 1 20 20 HIS CA C 20 56.641 56.641 56.096 0.545 18203
1208 1 12 . 1 1 20 20 HIS CB C 20 28.971 28.971 31.096 -2.125 18203
1209 1 12 . 1 1 20 20 HIS H H 20 7.545 7.545 8.704 -1.159 18203
1210 1 12 . 1 1 21 21 SER N N 21 115.523 115.523 113.639 1.884 18203
1211 1 12 . 1 1 21 21 SER HA H 21 4.865 4.865 4.809 0.056 18203
1212 1 12 . 1 1 21 21 SER CA C 21 57.689 57.689 57.302 0.387 18203
1213 1 12 . 1 1 21 21 SER CB C 21 66.139 66.139 66.027 0.112 18203
1214 1 12 . 1 1 21 21 SER H H 21 8.156 8.156 8.409 -0.253 18203
1215 1 12 . 1 1 22 22 ARG N N 22 125.719 125.719 121.715 4.004 18203
1216 1 12 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.427 -0.025 18203
1217 1 12 . 1 1 22 22 ARG CA C 22 56.964 56.964 56.879 0.085 18203
1218 1 12 . 1 1 22 22 ARG CB C 22 29.771 29.771 30.383 -0.612 18203
1219 1 12 . 1 1 22 22 ARG H H 22 9.179 9.179 8.532 0.647 18203
1220 1 12 . 1 1 23 23 CYS N N 23 116.539 116.539 119.066 -2.527 18203
1221 1 12 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.287 0.217 18203
1222 1 12 . 1 1 23 23 CYS CA C 23 56.750 56.750 60.292 -3.542 18203
1223 1 12 . 1 1 23 23 CYS CB C 23 44.086 44.086 27.080 17.006 18203
1224 1 12 . 1 1 23 23 CYS H H 23 8.354 8.354 8.288 0.066 18203
1225 1 13 . 1 1 2 2 GLY N N 2 113.101 113.101 114.484 -1.383 18203
1226 1 13 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.339 0.061 18203
1227 1 13 . 1 1 2 2 GLY H H 2 8.729 8.729 8.282 0.447 18203
1228 1 13 . 1 1 3 3 GLU N N 3 121.656 121.656 122.124 -0.468 18203
1229 1 13 . 1 1 3 3 GLU HA H 3 4.115 4.115 3.924 0.191 18203
1230 1 13 . 1 1 3 3 GLU CA C 3 58.528 58.528 59.148 -0.620 18203
1231 1 13 . 1 1 3 3 GLU CB C 3 29.582 29.582 28.888 0.694 18203
1232 1 13 . 1 1 3 3 GLU H H 3 8.866 8.866 9.114 -0.248 18203
1233 1 13 . 1 1 4 4 ARG N N 4 121.188 121.188 120.467 0.721 18203
1234 1 13 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.145 0.200 18203
1235 1 13 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.393 -1.547 18203
1236 1 13 . 1 1 4 4 ARG CB C 4 30.275 30.275 29.058 1.217 18203
1237 1 13 . 1 1 4 4 ARG H H 4 8.778 8.778 8.639 0.139 18203
1238 1 13 . 1 1 5 5 CYS N N 5 118.492 118.492 117.970 0.522 18203
1239 1 13 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.277 0.516 18203
1240 1 13 . 1 1 5 5 CYS CA C 5 56.003 56.003 63.147 -7.144 18203
1241 1 13 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.328 12.863 18203
1242 1 13 . 1 1 5 5 CYS H H 5 8.483 8.483 8.692 -0.209 18203
1243 1 13 . 1 1 6 6 CYS N N 6 114.976 114.976 118.411 -3.435 18203
1244 1 13 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.264 0.242 18203
1245 1 13 . 1 1 6 6 CYS CA C 6 56.808 56.808 61.119 -4.311 18203
1246 1 13 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.020 16.895 18203
1247 1 13 . 1 1 6 6 CYS H H 6 8.506 8.506 8.460 0.046 18203
1248 1 13 . 1 1 7 7 LYS N N 7 120.758 120.758 117.581 3.177 18203
1249 1 13 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.144 0.169 18203
1250 1 13 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.017 -1.129 18203
1251 1 13 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.220 0.471 18203
1252 1 13 . 1 1 7 7 LYS H H 7 8.003 8.003 7.944 0.059 18203
1253 1 13 . 1 1 8 8 ASN N N 8 118.023 118.023 114.588 3.435 18203
1254 1 13 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.882 -0.073 18203
1255 1 13 . 1 1 8 8 ASN CA C 8 53.017 53.017 52.887 0.130 18203
1256 1 13 . 1 1 8 8 ASN CB C 8 38.733 38.733 41.064 -2.331 18203
1257 1 13 . 1 1 8 8 ASN H H 8 8.635 8.635 7.578 1.057 18203
1258 1 13 . 1 1 9 9 GLY N N 9 108.647 108.647 111.058 -2.411 18203
1259 1 13 . 1 1 9 9 GLY CA C 9 45.431 45.431 47.120 -1.689 18203
1260 1 13 . 1 1 9 9 GLY H H 9 8.273 8.273 8.700 -0.427 18203
1261 1 13 . 1 1 10 10 LYS N N 10 121.969 121.969 123.902 -1.933 18203
1262 1 13 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.053 0.232 18203
1263 1 13 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.214 -0.907 18203
1264 1 13 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.041 -2.037 18203
1265 1 13 . 1 1 10 10 LYS H H 10 8.595 8.595 8.308 0.287 18203
1266 1 13 . 1 1 11 11 ARG N N 11 119.937 119.937 116.559 3.378 18203
1267 1 13 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.410 -0.140 18203
1268 1 13 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.130 0.252 18203
1269 1 13 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.656 -0.619 18203
1270 1 13 . 1 1 11 11 ARG H H 11 8.377 8.377 8.408 -0.031 18203
1271 1 13 . 1 1 12 12 GLY N N 12 107.866 107.866 107.721 0.145 18203
1272 1 13 . 1 1 12 12 GLY CA C 12 45.191 45.191 45.068 0.123 18203
1273 1 13 . 1 1 12 12 GLY H H 12 8.045 8.045 7.842 0.203 18203
1274 1 13 . 1 1 13 13 CYS N N 13 118.687 118.687 120.819 -2.132 18203
1275 1 13 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.182 0.524 18203
1276 1 13 . 1 1 13 13 CYS CA C 13 56.393 56.393 60.393 -4.000 18203
1277 1 13 . 1 1 13 13 CYS CB C 13 43.530 43.530 25.690 17.840 18203
1278 1 13 . 1 1 13 13 CYS H H 13 8.174 8.174 7.914 0.260 18203
1279 1 13 . 1 1 14 14 GLY N N 14 111.655 111.655 113.523 -1.868 18203
1280 1 13 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.655 -0.298 18203
1281 1 13 . 1 1 14 14 GLY H H 14 8.595 8.595 7.784 0.811 18203
1282 1 13 . 1 1 15 15 ARG N N 15 119.859 119.859 120.758 -0.899 18203
1283 1 13 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.091 -0.284 18203
1284 1 13 . 1 1 15 15 ARG CA C 15 60.024 60.024 60.251 -0.227 18203
1285 1 13 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.398 -0.292 18203
1286 1 13 . 1 1 15 15 ARG H H 15 8.603 8.603 8.918 -0.315 18203
1287 1 13 . 1 1 16 16 TRP N N 16 118.804 118.804 119.853 -1.049 18203
1288 1 13 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.465 -0.056 18203
1289 1 13 . 1 1 16 16 TRP CA C 16 62.774 62.774 60.808 1.966 18203
1290 1 13 . 1 1 16 16 TRP CB C 16 28.631 28.631 28.975 -0.344 18203
1291 1 13 . 1 1 16 16 TRP H H 16 8.771 8.771 7.808 0.963 18203
1292 1 13 . 1 1 17 17 CYS N N 17 118.922 118.922 119.552 -0.630 18203
1293 1 13 . 1 1 17 17 CYS HA H 17 4.434 4.434 3.905 0.529 18203
1294 1 13 . 1 1 17 17 CYS CA C 17 59.097 59.097 61.787 -2.690 18203
1295 1 13 . 1 1 17 17 CYS CB C 17 38.378 38.378 26.073 12.305 18203
1296 1 13 . 1 1 17 17 CYS H H 17 9.036 9.036 8.846 0.190 18203
1297 1 13 . 1 1 18 18 ARG N N 18 122.086 122.086 120.433 1.653 18203
1298 1 13 . 1 1 18 18 ARG HA H 18 3.945 3.945 3.949 -0.004 18203
1299 1 13 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.998 -0.047 18203
1300 1 13 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.135 -0.166 18203
1301 1 13 . 1 1 18 18 ARG H H 18 8.843 8.843 8.710 0.133 18203
1302 1 13 . 1 1 19 19 ASP N N 19 116.226 116.226 116.704 -0.478 18203
1303 1 13 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.565 -0.132 18203
1304 1 13 . 1 1 19 19 ASP CA C 19 55.196 55.196 56.842 -1.646 18203
1305 1 13 . 1 1 19 19 ASP CB C 19 40.879 40.879 41.570 -0.691 18203
1306 1 13 . 1 1 19 19 ASP H H 19 7.696 7.696 7.993 -0.297 18203
1307 1 13 . 1 1 20 20 HIS N N 20 113.726 113.726 117.128 -3.402 18203
1308 1 13 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.333 0.170 18203
1309 1 13 . 1 1 20 20 HIS CA C 20 56.641 56.641 57.658 -1.017 18203
1310 1 13 . 1 1 20 20 HIS CB C 20 28.971 28.971 29.725 -0.754 18203
1311 1 13 . 1 1 20 20 HIS H H 20 7.545 7.545 8.669 -1.124 18203
1312 1 13 . 1 1 21 21 SER N N 21 115.523 115.523 113.256 2.267 18203
1313 1 13 . 1 1 21 21 SER HA H 21 4.865 4.865 4.641 0.224 18203
1314 1 13 . 1 1 21 21 SER CA C 21 57.689 57.689 57.318 0.371 18203
1315 1 13 . 1 1 21 21 SER CB C 21 66.139 66.139 63.750 2.389 18203
1316 1 13 . 1 1 21 21 SER H H 21 8.156 8.156 8.572 -0.416 18203
1317 1 13 . 1 1 22 22 ARG N N 22 125.719 125.719 127.254 -1.535 18203
1318 1 13 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.197 0.205 18203
1319 1 13 . 1 1 22 22 ARG CA C 22 56.964 56.964 57.414 -0.450 18203
1320 1 13 . 1 1 22 22 ARG CB C 22 29.771 29.771 28.237 1.534 18203
1321 1 13 . 1 1 22 22 ARG H H 22 9.179 9.179 8.817 0.362 18203
1322 1 13 . 1 1 23 23 CYS N N 23 116.539 116.539 119.908 -3.369 18203
1323 1 13 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.760 -0.256 18203
1324 1 13 . 1 1 23 23 CYS CA C 23 56.750 56.750 58.367 -1.617 18203
1325 1 13 . 1 1 23 23 CYS CB C 23 44.086 44.086 27.480 16.605 18203
1326 1 13 . 1 1 23 23 CYS H H 23 8.354 8.354 8.851 -0.497 18203
1327 1 14 . 1 1 2 2 GLY N N 2 113.101 113.101 105.777 7.324 18203
1328 1 14 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.529 -0.128 18203
1329 1 14 . 1 1 2 2 GLY H H 2 8.729 8.729 8.758 -0.029 18203
1330 1 14 . 1 1 3 3 GLU N N 3 121.656 121.656 121.285 0.371 18203
1331 1 14 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.038 0.077 18203
1332 1 14 . 1 1 3 3 GLU CA C 3 58.528 58.528 58.754 -0.226 18203
1333 1 14 . 1 1 3 3 GLU CB C 3 29.582 29.582 28.993 0.589 18203
1334 1 14 . 1 1 3 3 GLU H H 3 8.866 8.866 8.897 -0.031 18203
1335 1 14 . 1 1 4 4 ARG N N 4 121.188 121.188 120.031 1.157 18203
1336 1 14 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.097 0.248 18203
1337 1 14 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.536 -1.690 18203
1338 1 14 . 1 1 4 4 ARG CB C 4 30.275 30.275 28.900 1.375 18203
1339 1 14 . 1 1 4 4 ARG H H 4 8.778 8.778 8.672 0.106 18203
1340 1 14 . 1 1 5 5 CYS N N 5 118.492 118.492 119.562 -1.070 18203
1341 1 14 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.419 0.374 18203
1342 1 14 . 1 1 5 5 CYS CA C 5 56.003 56.003 63.386 -7.383 18203
1343 1 14 . 1 1 5 5 CYS CB C 5 39.191 39.191 25.517 13.674 18203
1344 1 14 . 1 1 5 5 CYS H H 5 8.483 8.483 8.676 -0.193 18203
1345 1 14 . 1 1 6 6 CYS N N 6 114.976 114.976 117.739 -2.763 18203
1346 1 14 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.379 0.127 18203
1347 1 14 . 1 1 6 6 CYS CA C 6 56.808 56.808 61.039 -4.231 18203
1348 1 14 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.336 16.579 18203
1349 1 14 . 1 1 6 6 CYS H H 6 8.506 8.506 8.272 0.234 18203
1350 1 14 . 1 1 7 7 LYS N N 7 120.758 120.758 118.787 1.971 18203
1351 1 14 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.185 0.128 18203
1352 1 14 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.597 -1.709 18203
1353 1 14 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.592 0.100 18203
1354 1 14 . 1 1 7 7 LYS H H 7 8.003 8.003 8.236 -0.233 18203
1355 1 14 . 1 1 8 8 ASN N N 8 118.023 118.023 114.932 3.091 18203
1356 1 14 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.925 -0.116 18203
1357 1 14 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.784 -0.767 18203
1358 1 14 . 1 1 8 8 ASN CB C 8 38.733 38.733 41.450 -2.717 18203
1359 1 14 . 1 1 8 8 ASN H H 8 8.635 8.635 7.979 0.656 18203
1360 1 14 . 1 1 9 9 GLY N N 9 108.647 108.647 110.577 -1.930 18203
1361 1 14 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.819 -1.388 18203
1362 1 14 . 1 1 9 9 GLY H H 9 8.273 8.273 8.917 -0.644 18203
1363 1 14 . 1 1 10 10 LYS N N 10 121.969 121.969 124.618 -2.649 18203
1364 1 14 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.071 0.214 18203
1365 1 14 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.276 -0.970 18203
1366 1 14 . 1 1 10 10 LYS CB C 10 30.004 30.004 31.996 -1.992 18203
1367 1 14 . 1 1 10 10 LYS H H 10 8.595 8.595 8.301 0.294 18203
1368 1 14 . 1 1 11 11 ARG N N 11 119.937 119.937 116.605 3.332 18203
1369 1 14 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.313 -0.043 18203
1370 1 14 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.273 0.109 18203
1371 1 14 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.500 -0.463 18203
1372 1 14 . 1 1 11 11 ARG H H 11 8.377 8.377 8.026 0.351 18203
1373 1 14 . 1 1 12 12 GLY N N 12 107.866 107.866 107.230 0.636 18203
1374 1 14 . 1 1 12 12 GLY CA C 12 45.191 45.191 45.169 0.023 18203
1375 1 14 . 1 1 12 12 GLY H H 12 8.045 8.045 7.810 0.235 18203
1376 1 14 . 1 1 13 13 CYS N N 13 118.687 118.687 121.769 -3.082 18203
1377 1 14 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.260 0.446 18203
1378 1 14 . 1 1 13 13 CYS CA C 13 56.393 56.393 61.546 -5.153 18203
1379 1 14 . 1 1 13 13 CYS CB C 13 43.530 43.530 25.586 17.944 18203
1380 1 14 . 1 1 13 13 CYS H H 13 8.174 8.174 8.261 -0.087 18203
1381 1 14 . 1 1 14 14 GLY N N 14 111.655 111.655 112.571 -0.916 18203
1382 1 14 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.834 -0.477 18203
1383 1 14 . 1 1 14 14 GLY H H 14 8.595 8.595 7.837 0.758 18203
1384 1 14 . 1 1 15 15 ARG N N 15 119.859 119.859 120.710 -0.851 18203
1385 1 14 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.197 -0.390 18203
1386 1 14 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.527 0.497 18203
1387 1 14 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.141 -0.035 18203
1388 1 14 . 1 1 15 15 ARG H H 15 8.603 8.603 8.879 -0.276 18203
1389 1 14 . 1 1 16 16 TRP N N 16 118.804 118.804 119.630 -0.826 18203
1390 1 14 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.461 -0.052 18203
1391 1 14 . 1 1 16 16 TRP CA C 16 62.774 62.774 60.854 1.920 18203
1392 1 14 . 1 1 16 16 TRP CB C 16 28.631 28.631 28.927 -0.296 18203
1393 1 14 . 1 1 16 16 TRP H H 16 8.771 8.771 7.818 0.953 18203
1394 1 14 . 1 1 17 17 CYS N N 17 118.922 118.922 119.227 -0.305 18203
1395 1 14 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.260 0.174 18203
1396 1 14 . 1 1 17 17 CYS CA C 17 59.097 59.097 62.429 -3.332 18203
1397 1 14 . 1 1 17 17 CYS CB C 17 38.378 38.378 25.517 12.861 18203
1398 1 14 . 1 1 17 17 CYS H H 17 9.036 9.036 8.894 0.142 18203
1399 1 14 . 1 1 18 18 ARG N N 18 122.086 122.086 120.476 1.610 18203
1400 1 14 . 1 1 18 18 ARG HA H 18 3.945 3.945 4.015 -0.070 18203
1401 1 14 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.617 0.334 18203
1402 1 14 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.107 -0.138 18203
1403 1 14 . 1 1 18 18 ARG H H 18 8.843 8.843 8.544 0.299 18203
1404 1 14 . 1 1 19 19 ASP N N 19 116.226 116.226 115.927 0.299 18203
1405 1 14 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.538 -0.105 18203
1406 1 14 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.619 -0.423 18203
1407 1 14 . 1 1 19 19 ASP CB C 19 40.879 40.879 41.929 -1.050 18203
1408 1 14 . 1 1 19 19 ASP H H 19 7.696 7.696 7.954 -0.258 18203
1409 1 14 . 1 1 20 20 HIS N N 20 113.726 113.726 116.570 -2.844 18203
1410 1 14 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.460 0.043 18203
1411 1 14 . 1 1 20 20 HIS CA C 20 56.641 56.641 56.404 0.237 18203
1412 1 14 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.514 -1.542 18203
1413 1 14 . 1 1 20 20 HIS H H 20 7.545 7.545 8.670 -1.125 18203
1414 1 14 . 1 1 21 21 SER N N 21 115.523 115.523 113.482 2.041 18203
1415 1 14 . 1 1 21 21 SER HA H 21 4.865 4.865 4.765 0.100 18203
1416 1 14 . 1 1 21 21 SER CA C 21 57.689 57.689 56.824 0.865 18203
1417 1 14 . 1 1 21 21 SER CB C 21 66.139 66.139 65.700 0.439 18203
1418 1 14 . 1 1 21 21 SER H H 21 8.156 8.156 8.032 0.124 18203
1419 1 14 . 1 1 22 22 ARG N N 22 125.719 125.719 120.847 4.872 18203
1420 1 14 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.502 -0.100 18203
1421 1 14 . 1 1 22 22 ARG CA C 22 56.964 56.964 56.514 0.450 18203
1422 1 14 . 1 1 22 22 ARG CB C 22 29.771 29.771 30.326 -0.555 18203
1423 1 14 . 1 1 22 22 ARG H H 22 9.179 9.179 8.492 0.687 18203
1424 1 14 . 1 1 23 23 CYS N N 23 116.539 116.539 118.625 -2.086 18203
1425 1 14 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.440 0.064 18203
1426 1 14 . 1 1 23 23 CYS CA C 23 56.750 56.750 59.293 -2.543 18203
1427 1 14 . 1 1 23 23 CYS CB C 23 44.086 44.086 25.911 18.175 18203
1428 1 14 . 1 1 23 23 CYS H H 23 8.354 8.354 8.475 -0.121 18203
1429 1 15 . 1 1 2 2 GLY N N 2 113.101 113.101 111.813 1.288 18203
1430 1 15 . 1 1 2 2 GLY CA C 2 45.400 45.400 46.582 -1.182 18203
1431 1 15 . 1 1 2 2 GLY H H 2 8.729 8.729 8.733 -0.004 18203
1432 1 15 . 1 1 3 3 GLU N N 3 121.656 121.656 122.072 -0.416 18203
1433 1 15 . 1 1 3 3 GLU HA H 3 4.115 4.115 3.824 0.291 18203
1434 1 15 . 1 1 3 3 GLU CA C 3 58.528 58.528 59.276 -0.749 18203
1435 1 15 . 1 1 3 3 GLU CB C 3 29.582 29.582 29.261 0.322 18203
1436 1 15 . 1 1 3 3 GLU H H 3 8.866 8.866 8.469 0.397 18203
1437 1 15 . 1 1 4 4 ARG N N 4 121.188 121.188 120.633 0.555 18203
1438 1 15 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.101 0.243 18203
1439 1 15 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.558 -1.712 18203
1440 1 15 . 1 1 4 4 ARG CB C 4 30.275 30.275 29.198 1.077 18203
1441 1 15 . 1 1 4 4 ARG H H 4 8.778 8.778 8.627 0.151 18203
1442 1 15 . 1 1 5 5 CYS N N 5 118.492 118.492 117.611 0.881 18203
1443 1 15 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.158 0.635 18203
1444 1 15 . 1 1 5 5 CYS CA C 5 56.003 56.003 63.521 -7.518 18203
1445 1 15 . 1 1 5 5 CYS CB C 5 39.191 39.191 25.762 13.430 18203
1446 1 15 . 1 1 5 5 CYS H H 5 8.483 8.483 9.039 -0.556 18203
1447 1 15 . 1 1 6 6 CYS N N 6 114.976 114.976 118.145 -3.169 18203
1448 1 15 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.287 0.219 18203
1449 1 15 . 1 1 6 6 CYS CA C 6 56.808 56.808 62.010 -5.202 18203
1450 1 15 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.521 16.394 18203
1451 1 15 . 1 1 6 6 CYS H H 6 8.506 8.506 8.535 -0.029 18203
1452 1 15 . 1 1 7 7 LYS N N 7 120.758 120.758 117.289 3.469 18203
1453 1 15 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.092 0.221 18203
1454 1 15 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.654 -1.766 18203
1455 1 15 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.365 0.326 18203
1456 1 15 . 1 1 7 7 LYS H H 7 8.003 8.003 8.430 -0.427 18203
1457 1 15 . 1 1 8 8 ASN N N 8 118.023 118.023 114.507 3.516 18203
1458 1 15 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.951 -0.142 18203
1459 1 15 . 1 1 8 8 ASN CA C 8 53.017 53.017 52.868 0.149 18203
1460 1 15 . 1 1 8 8 ASN CB C 8 38.733 38.733 41.480 -2.747 18203
1461 1 15 . 1 1 8 8 ASN H H 8 8.635 8.635 7.618 1.017 18203
1462 1 15 . 1 1 9 9 GLY N N 9 108.647 108.647 110.291 -1.644 18203
1463 1 15 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.971 -1.540 18203
1464 1 15 . 1 1 9 9 GLY H H 9 8.273 8.273 8.604 -0.331 18203
1465 1 15 . 1 1 10 10 LYS N N 10 121.969 121.969 124.058 -2.089 18203
1466 1 15 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.043 0.242 18203
1467 1 15 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.229 -0.922 18203
1468 1 15 . 1 1 10 10 LYS CB C 10 30.004 30.004 31.734 -1.730 18203
1469 1 15 . 1 1 10 10 LYS H H 10 8.595 8.595 8.645 -0.050 18203
1470 1 15 . 1 1 11 11 ARG N N 11 119.937 119.937 117.990 1.947 18203
1471 1 15 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.270 0.000 18203
1472 1 15 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.881 -0.499 18203
1473 1 15 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.428 -0.391 18203
1474 1 15 . 1 1 11 11 ARG H H 11 8.377 8.377 8.191 0.186 18203
1475 1 15 . 1 1 12 12 GLY N N 12 107.866 107.866 107.137 0.729 18203
1476 1 15 . 1 1 12 12 GLY CA C 12 45.191 45.191 44.848 0.343 18203
1477 1 15 . 1 1 12 12 GLY H H 12 8.045 8.045 8.146 -0.101 18203
1478 1 15 . 1 1 13 13 CYS N N 13 118.687 118.687 119.860 -1.173 18203
1479 1 15 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.246 0.460 18203
1480 1 15 . 1 1 13 13 CYS CA C 13 56.393 56.393 61.708 -5.315 18203
1481 1 15 . 1 1 13 13 CYS CB C 13 43.530 43.530 26.644 16.886 18203
1482 1 15 . 1 1 13 13 CYS H H 13 8.174 8.174 7.680 0.494 18203
1483 1 15 . 1 1 14 14 GLY N N 14 111.655 111.655 110.020 1.635 18203
1484 1 15 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.596 -0.239 18203
1485 1 15 . 1 1 14 14 GLY H H 14 8.595 8.595 7.884 0.711 18203
1486 1 15 . 1 1 15 15 ARG N N 15 119.859 119.859 119.011 0.848 18203
1487 1 15 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.070 -0.263 18203
1488 1 15 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.598 0.426 18203
1489 1 15 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.123 -0.017 18203
1490 1 15 . 1 1 15 15 ARG H H 15 8.603 8.603 8.854 -0.251 18203
1491 1 15 . 1 1 16 16 TRP N N 16 118.804 118.804 121.123 -2.319 18203
1492 1 15 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.341 0.068 18203
1493 1 15 . 1 1 16 16 TRP CA C 16 62.774 62.774 60.865 1.909 18203
1494 1 15 . 1 1 16 16 TRP CB C 16 28.631 28.631 28.996 -0.365 18203
1495 1 15 . 1 1 16 16 TRP H H 16 8.771 8.771 7.639 1.132 18203
1496 1 15 . 1 1 17 17 CYS N N 17 118.922 118.922 119.389 -0.467 18203
1497 1 15 . 1 1 17 17 CYS HA H 17 4.434 4.434 3.897 0.537 18203
1498 1 15 . 1 1 17 17 CYS CA C 17 59.097 59.097 62.586 -3.489 18203
1499 1 15 . 1 1 17 17 CYS CB C 17 38.378 38.378 25.871 12.507 18203
1500 1 15 . 1 1 17 17 CYS H H 17 9.036 9.036 8.868 0.168 18203
1501 1 15 . 1 1 18 18 ARG N N 18 122.086 122.086 120.773 1.313 18203
1502 1 15 . 1 1 18 18 ARG HA H 18 3.945 3.945 3.969 -0.024 18203
1503 1 15 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.806 0.145 18203
1504 1 15 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.167 -0.198 18203
1505 1 15 . 1 1 18 18 ARG H H 18 8.843 8.843 8.709 0.134 18203
1506 1 15 . 1 1 19 19 ASP N N 19 116.226 116.226 115.046 1.180 18203
1507 1 15 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.601 -0.168 18203
1508 1 15 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.827 -0.631 18203
1509 1 15 . 1 1 19 19 ASP CB C 19 40.879 40.879 41.708 -0.829 18203
1510 1 15 . 1 1 19 19 ASP H H 19 7.696 7.696 8.195 -0.499 18203
1511 1 15 . 1 1 20 20 HIS N N 20 113.726 113.726 116.293 -2.567 18203
1512 1 15 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.640 -0.137 18203
1513 1 15 . 1 1 20 20 HIS CA C 20 56.641 56.641 56.054 0.587 18203
1514 1 15 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.703 -1.732 18203
1515 1 15 . 1 1 20 20 HIS H H 20 7.545 7.545 8.405 -0.860 18203
1516 1 15 . 1 1 21 21 SER N N 21 115.523 115.523 112.809 2.714 18203
1517 1 15 . 1 1 21 21 SER HA H 21 4.865 4.865 4.696 0.170 18203
1518 1 15 . 1 1 21 21 SER CA C 21 57.689 57.689 57.137 0.552 18203
1519 1 15 . 1 1 21 21 SER CB C 21 66.139 66.139 65.175 0.964 18203
1520 1 15 . 1 1 21 21 SER H H 21 8.156 8.156 8.409 -0.253 18203
1521 1 15 . 1 1 22 22 ARG N N 22 125.719 125.719 121.713 4.006 18203
1522 1 15 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.432 -0.030 18203
1523 1 15 . 1 1 22 22 ARG CA C 22 56.964 56.964 56.888 0.076 18203
1524 1 15 . 1 1 22 22 ARG CB C 22 29.771 29.771 30.271 -0.500 18203
1525 1 15 . 1 1 22 22 ARG H H 22 9.179 9.179 8.474 0.705 18203
1526 1 15 . 1 1 23 23 CYS N N 23 116.539 116.539 121.811 -5.272 18203
1527 1 15 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.392 0.112 18203
1528 1 15 . 1 1 23 23 CYS CA C 23 56.750 56.750 59.267 -2.517 18203
1529 1 15 . 1 1 23 23 CYS CB C 23 44.086 44.086 24.250 19.836 18203
1530 1 15 . 1 1 23 23 CYS H H 23 8.354 8.354 8.077 0.277 18203
1531 1 16 . 1 1 2 2 GLY N N 2 113.101 113.101 114.417 -1.316 18203
1532 1 16 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.438 -0.038 18203
1533 1 16 . 1 1 2 2 GLY H H 2 8.729 8.729 8.543 0.185 18203
1534 1 16 . 1 1 3 3 GLU N N 3 121.656 121.656 121.501 0.155 18203
1535 1 16 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.020 0.095 18203
1536 1 16 . 1 1 3 3 GLU CA C 3 58.528 58.528 59.145 -0.617 18203
1537 1 16 . 1 1 3 3 GLU CB C 3 29.582 29.582 28.888 0.694 18203
1538 1 16 . 1 1 3 3 GLU H H 3 8.866 8.866 9.062 -0.196 18203
1539 1 16 . 1 1 4 4 ARG N N 4 121.188 121.188 119.214 1.974 18203
1540 1 16 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.149 0.196 18203
1541 1 16 . 1 1 4 4 ARG CA C 4 56.846 56.846 57.172 -0.326 18203
1542 1 16 . 1 1 4 4 ARG CB C 4 30.275 30.275 28.779 1.496 18203
1543 1 16 . 1 1 4 4 ARG H H 4 8.778 8.778 8.246 0.532 18203
1544 1 16 . 1 1 5 5 CYS N N 5 118.492 118.492 119.677 -1.185 18203
1545 1 16 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.267 0.526 18203
1546 1 16 . 1 1 5 5 CYS CA C 5 56.003 56.003 63.197 -7.194 18203
1547 1 16 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.054 13.137 18203
1548 1 16 . 1 1 5 5 CYS H H 5 8.483 8.483 8.588 -0.105 18203
1549 1 16 . 1 1 6 6 CYS N N 6 114.976 114.976 119.366 -4.390 18203
1550 1 16 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.229 0.277 18203
1551 1 16 . 1 1 6 6 CYS CA C 6 56.808 56.808 61.851 -5.043 18203
1552 1 16 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.135 16.780 18203
1553 1 16 . 1 1 6 6 CYS H H 6 8.506 8.506 8.565 -0.059 18203
1554 1 16 . 1 1 7 7 LYS N N 7 120.758 120.758 117.501 3.257 18203
1555 1 16 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.149 0.164 18203
1556 1 16 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.058 -1.170 18203
1557 1 16 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.321 0.371 18203
1558 1 16 . 1 1 7 7 LYS H H 7 8.003 8.003 7.686 0.317 18203
1559 1 16 . 1 1 8 8 ASN N N 8 118.023 118.023 114.329 3.694 18203
1560 1 16 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.830 -0.021 18203
1561 1 16 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.157 -0.141 18203
1562 1 16 . 1 1 8 8 ASN CB C 8 38.733 38.733 41.041 -2.308 18203
1563 1 16 . 1 1 8 8 ASN H H 8 8.635 8.635 8.000 0.635 18203
1564 1 16 . 1 1 9 9 GLY N N 9 108.647 108.647 110.452 -1.805 18203
1565 1 16 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.654 -1.224 18203
1566 1 16 . 1 1 9 9 GLY H H 9 8.273 8.273 8.684 -0.411 18203
1567 1 16 . 1 1 10 10 LYS N N 10 121.969 121.969 124.121 -2.152 18203
1568 1 16 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.045 0.240 18203
1569 1 16 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.245 -0.938 18203
1570 1 16 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.248 -2.244 18203
1571 1 16 . 1 1 10 10 LYS H H 10 8.595 8.595 8.313 0.282 18203
1572 1 16 . 1 1 11 11 ARG N N 11 119.937 119.937 116.004 3.933 18203
1573 1 16 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.249 0.021 18203
1574 1 16 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.750 -0.368 18203
1575 1 16 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.434 -0.397 18203
1576 1 16 . 1 1 11 11 ARG H H 11 8.377 8.377 7.773 0.604 18203
1577 1 16 . 1 1 12 12 GLY N N 12 107.866 107.866 106.652 1.214 18203
1578 1 16 . 1 1 12 12 GLY CA C 12 45.191 45.191 45.343 -0.152 18203
1579 1 16 . 1 1 12 12 GLY H H 12 8.045 8.045 7.434 0.611 18203
1580 1 16 . 1 1 13 13 CYS N N 13 118.687 118.687 120.145 -1.458 18203
1581 1 16 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.218 0.488 18203
1582 1 16 . 1 1 13 13 CYS CA C 13 56.393 56.393 60.380 -3.986 18203
1583 1 16 . 1 1 13 13 CYS CB C 13 43.530 43.530 24.948 18.581 18203
1584 1 16 . 1 1 13 13 CYS H H 13 8.174 8.174 7.640 0.534 18203
1585 1 16 . 1 1 14 14 GLY N N 14 111.655 111.655 115.463 -3.808 18203
1586 1 16 . 1 1 14 14 GLY CA C 14 44.357 44.357 45.049 -0.692 18203
1587 1 16 . 1 1 14 14 GLY H H 14 8.595 8.595 7.872 0.723 18203
1588 1 16 . 1 1 15 15 ARG N N 15 119.859 119.859 121.426 -1.567 18203
1589 1 16 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.109 -0.302 18203
1590 1 16 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.352 0.672 18203
1591 1 16 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.198 -0.092 18203
1592 1 16 . 1 1 15 15 ARG H H 15 8.603 8.603 8.798 -0.195 18203
1593 1 16 . 1 1 16 16 TRP N N 16 118.804 118.804 119.752 -0.948 18203
1594 1 16 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.383 0.026 18203
1595 1 16 . 1 1 16 16 TRP CA C 16 62.774 62.774 61.327 1.447 18203
1596 1 16 . 1 1 16 16 TRP CB C 16 28.631 28.631 29.066 -0.435 18203
1597 1 16 . 1 1 16 16 TRP H H 16 8.771 8.771 8.193 0.578 18203
1598 1 16 . 1 1 17 17 CYS N N 17 118.922 118.922 118.680 0.242 18203
1599 1 16 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.405 0.029 18203
1600 1 16 . 1 1 17 17 CYS CA C 17 59.097 59.097 60.652 -1.555 18203
1601 1 16 . 1 1 17 17 CYS CB C 17 38.378 38.378 26.166 12.213 18203
1602 1 16 . 1 1 17 17 CYS H H 17 9.036 9.036 8.790 0.246 18203
1603 1 16 . 1 1 18 18 ARG N N 18 122.086 122.086 120.202 1.884 18203
1604 1 16 . 1 1 18 18 ARG HA H 18 3.945 3.945 4.196 -0.251 18203
1605 1 16 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.091 0.860 18203
1606 1 16 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.433 -0.464 18203
1607 1 16 . 1 1 18 18 ARG H H 18 8.843 8.843 8.633 0.210 18203
1608 1 16 . 1 1 19 19 ASP N N 19 116.226 116.226 115.326 0.900 18203
1609 1 16 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.575 -0.142 18203
1610 1 16 . 1 1 19 19 ASP CA C 19 55.196 55.196 56.104 -0.908 18203
1611 1 16 . 1 1 19 19 ASP CB C 19 40.879 40.879 41.818 -0.939 18203
1612 1 16 . 1 1 19 19 ASP H H 19 7.696 7.696 8.125 -0.429 18203
1613 1 16 . 1 1 20 20 HIS N N 20 113.726 113.726 117.455 -3.729 18203
1614 1 16 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.345 0.158 18203
1615 1 16 . 1 1 20 20 HIS CA C 20 56.641 56.641 57.342 -0.701 18203
1616 1 16 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.331 -1.360 18203
1617 1 16 . 1 1 20 20 HIS H H 20 7.545 7.545 8.552 -1.007 18203
1618 1 16 . 1 1 21 21 SER N N 21 115.523 115.523 115.556 -0.033 18203
1619 1 16 . 1 1 21 21 SER HA H 21 4.865 4.865 4.420 0.445 18203
1620 1 16 . 1 1 21 21 SER CA C 21 57.689 57.689 59.234 -1.545 18203
1621 1 16 . 1 1 21 21 SER CB C 21 66.139 66.139 64.147 1.992 18203
1622 1 16 . 1 1 21 21 SER H H 21 8.156 8.156 7.279 0.877 18203
1623 1 16 . 1 1 22 22 ARG N N 22 125.719 125.719 121.063 4.656 18203
1624 1 16 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.493 -0.091 18203
1625 1 16 . 1 1 22 22 ARG CA C 22 56.964 56.964 55.807 1.157 18203
1626 1 16 . 1 1 22 22 ARG CB C 22 29.771 29.771 30.518 -0.747 18203
1627 1 16 . 1 1 22 22 ARG H H 22 9.179 9.179 8.511 0.668 18203
1628 1 16 . 1 1 23 23 CYS N N 23 116.539 116.539 117.996 -1.457 18203
1629 1 16 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.665 -0.161 18203
1630 1 16 . 1 1 23 23 CYS CA C 23 56.750 56.750 58.983 -2.233 18203
1631 1 16 . 1 1 23 23 CYS CB C 23 44.086 44.086 26.826 17.260 18203
1632 1 16 . 1 1 23 23 CYS H H 23 8.354 8.354 8.656 -0.302 18203
1633 1 17 . 1 1 2 2 GLY N N 2 113.101 113.101 112.386 0.715 18203
1634 1 17 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.799 -0.399 18203
1635 1 17 . 1 1 2 2 GLY H H 2 8.729 8.729 8.665 0.064 18203
1636 1 17 . 1 1 3 3 GLU N N 3 121.656 121.656 122.334 -0.678 18203
1637 1 17 . 1 1 3 3 GLU HA H 3 4.115 4.115 3.867 0.248 18203
1638 1 17 . 1 1 3 3 GLU CA C 3 58.528 58.528 59.249 -0.721 18203
1639 1 17 . 1 1 3 3 GLU CB C 3 29.582 29.582 29.204 0.378 18203
1640 1 17 . 1 1 3 3 GLU H H 3 8.866 8.866 8.199 0.667 18203
1641 1 17 . 1 1 4 4 ARG N N 4 121.188 121.188 120.643 0.545 18203
1642 1 17 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.110 0.235 18203
1643 1 17 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.421 -1.575 18203
1644 1 17 . 1 1 4 4 ARG CB C 4 30.275 30.275 29.087 1.188 18203
1645 1 17 . 1 1 4 4 ARG H H 4 8.778 8.778 8.647 0.131 18203
1646 1 17 . 1 1 5 5 CYS N N 5 118.492 118.492 118.128 0.364 18203
1647 1 17 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.272 0.521 18203
1648 1 17 . 1 1 5 5 CYS CA C 5 56.003 56.003 63.239 -7.237 18203
1649 1 17 . 1 1 5 5 CYS CB C 5 39.191 39.191 25.901 13.290 18203
1650 1 17 . 1 1 5 5 CYS H H 5 8.483 8.483 8.864 -0.381 18203
1651 1 17 . 1 1 6 6 CYS N N 6 114.976 114.976 118.832 -3.856 18203
1652 1 17 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.296 0.210 18203
1653 1 17 . 1 1 6 6 CYS CA C 6 56.808 56.808 60.741 -3.933 18203
1654 1 17 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.007 16.908 18203
1655 1 17 . 1 1 6 6 CYS H H 6 8.506 8.506 8.165 0.341 18203
1656 1 17 . 1 1 7 7 LYS N N 7 120.758 120.758 117.402 3.356 18203
1657 1 17 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.169 0.144 18203
1658 1 17 . 1 1 7 7 LYS CA C 7 56.888 56.888 57.797 -0.909 18203
1659 1 17 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.290 0.401 18203
1660 1 17 . 1 1 7 7 LYS H H 7 8.003 8.003 7.813 0.190 18203
1661 1 17 . 1 1 8 8 ASN N N 8 118.023 118.023 114.482 3.541 18203
1662 1 17 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.858 -0.049 18203
1663 1 17 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.039 -0.022 18203
1664 1 17 . 1 1 8 8 ASN CB C 8 38.733 38.733 41.283 -2.550 18203
1665 1 17 . 1 1 8 8 ASN H H 8 8.635 8.635 7.822 0.813 18203
1666 1 17 . 1 1 9 9 GLY N N 9 108.647 108.647 110.147 -1.500 18203
1667 1 17 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.856 -1.425 18203
1668 1 17 . 1 1 9 9 GLY H H 9 8.273 8.273 8.366 -0.093 18203
1669 1 17 . 1 1 10 10 LYS N N 10 121.969 121.969 125.237 -3.268 18203
1670 1 17 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.020 0.265 18203
1671 1 17 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.341 -1.034 18203
1672 1 17 . 1 1 10 10 LYS CB C 10 30.004 30.004 31.844 -1.840 18203
1673 1 17 . 1 1 10 10 LYS H H 10 8.595 8.595 8.605 -0.010 18203
1674 1 17 . 1 1 11 11 ARG N N 11 119.937 119.937 117.450 2.487 18203
1675 1 17 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.199 0.071 18203
1676 1 17 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.308 0.074 18203
1677 1 17 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.382 -0.345 18203
1678 1 17 . 1 1 11 11 ARG H H 11 8.377 8.377 7.758 0.619 18203
1679 1 17 . 1 1 12 12 GLY N N 12 107.866 107.866 105.427 2.439 18203
1680 1 17 . 1 1 12 12 GLY CA C 12 45.191 45.191 44.552 0.639 18203
1681 1 17 . 1 1 12 12 GLY H H 12 8.045 8.045 7.801 0.244 18203
1682 1 17 . 1 1 13 13 CYS N N 13 118.687 118.687 121.023 -2.336 18203
1683 1 17 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.440 0.266 18203
1684 1 17 . 1 1 13 13 CYS CA C 13 56.393 56.393 60.199 -3.806 18203
1685 1 17 . 1 1 13 13 CYS CB C 13 43.530 43.530 24.812 18.718 18203
1686 1 17 . 1 1 13 13 CYS H H 13 8.174 8.174 7.398 0.776 18203
1687 1 17 . 1 1 14 14 GLY N N 14 111.655 111.655 113.857 -2.202 18203
1688 1 17 . 1 1 14 14 GLY CA C 14 44.357 44.357 45.264 -0.907 18203
1689 1 17 . 1 1 14 14 GLY H H 14 8.595 8.595 7.730 0.865 18203
1690 1 17 . 1 1 15 15 ARG N N 15 119.859 119.859 120.437 -0.578 18203
1691 1 17 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.063 -0.256 18203
1692 1 17 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.124 0.899 18203
1693 1 17 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.268 -0.162 18203
1694 1 17 . 1 1 15 15 ARG H H 15 8.603 8.603 8.769 -0.166 18203
1695 1 17 . 1 1 16 16 TRP N N 16 118.804 118.804 121.666 -2.862 18203
1696 1 17 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.466 -0.057 18203
1697 1 17 . 1 1 16 16 TRP CA C 16 62.774 62.774 61.412 1.362 18203
1698 1 17 . 1 1 16 16 TRP CB C 16 28.631 28.631 29.116 -0.485 18203
1699 1 17 . 1 1 16 16 TRP H H 16 8.771 8.771 8.192 0.579 18203
1700 1 17 . 1 1 17 17 CYS N N 17 118.922 118.922 119.409 -0.487 18203
1701 1 17 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.037 0.397 18203
1702 1 17 . 1 1 17 17 CYS CA C 17 59.097 59.097 62.109 -3.012 18203
1703 1 17 . 1 1 17 17 CYS CB C 17 38.378 38.378 26.265 12.113 18203
1704 1 17 . 1 1 17 17 CYS H H 17 9.036 9.036 8.237 0.799 18203
1705 1 17 . 1 1 18 18 ARG N N 18 122.086 122.086 121.134 0.952 18203
1706 1 17 . 1 1 18 18 ARG HA H 18 3.945 3.945 3.943 0.002 18203
1707 1 17 . 1 1 18 18 ARG CA C 18 59.951 59.951 60.182 -0.231 18203
1708 1 17 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.023 -0.055 18203
1709 1 17 . 1 1 18 18 ARG H H 18 8.843 8.843 8.826 0.017 18203
1710 1 17 . 1 1 19 19 ASP N N 19 116.226 116.226 118.171 -1.945 18203
1711 1 17 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.621 -0.188 18203
1712 1 17 . 1 1 19 19 ASP CA C 19 55.196 55.196 56.782 -1.586 18203
1713 1 17 . 1 1 19 19 ASP CB C 19 40.879 40.879 41.435 -0.556 18203
1714 1 17 . 1 1 19 19 ASP H H 19 7.696 7.696 8.462 -0.766 18203
1715 1 17 . 1 1 20 20 HIS N N 20 113.726 113.726 118.533 -4.807 18203
1716 1 17 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.483 0.020 18203
1717 1 17 . 1 1 20 20 HIS CA C 20 56.641 56.641 57.359 -0.718 18203
1718 1 17 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.325 -1.354 18203
1719 1 17 . 1 1 20 20 HIS H H 20 7.545 7.545 8.834 -1.289 18203
1720 1 17 . 1 1 21 21 SER N N 21 115.523 115.523 113.550 1.973 18203
1721 1 17 . 1 1 21 21 SER HA H 21 4.865 4.865 4.634 0.231 18203
1722 1 17 . 1 1 21 21 SER CA C 21 57.689 57.689 57.691 -0.002 18203
1723 1 17 . 1 1 21 21 SER CB C 21 66.139 66.139 64.539 1.600 18203
1724 1 17 . 1 1 21 21 SER H H 21 8.156 8.156 8.649 -0.493 18203
1725 1 17 . 1 1 22 22 ARG N N 22 125.719 125.719 127.025 -1.306 18203
1726 1 17 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.269 0.133 18203
1727 1 17 . 1 1 22 22 ARG CA C 22 56.964 56.964 57.218 -0.253 18203
1728 1 17 . 1 1 22 22 ARG CB C 22 29.771 29.771 28.557 1.214 18203
1729 1 17 . 1 1 22 22 ARG H H 22 9.179 9.179 8.831 0.348 18203
1730 1 17 . 1 1 23 23 CYS N N 23 116.539 116.539 121.381 -4.842 18203
1731 1 17 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.695 -0.191 18203
1732 1 17 . 1 1 23 23 CYS CA C 23 56.750 56.750 58.522 -1.772 18203
1733 1 17 . 1 1 23 23 CYS CB C 23 44.086 44.086 27.345 16.741 18203
1734 1 17 . 1 1 23 23 CYS H H 23 8.354 8.354 8.604 -0.250 18203
1735 1 18 . 1 1 2 2 GLY N N 2 113.101 113.101 109.491 3.610 18203
1736 1 18 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.714 -0.314 18203
1737 1 18 . 1 1 2 2 GLY H H 2 8.729 8.729 8.952 -0.223 18203
1738 1 18 . 1 1 3 3 GLU N N 3 121.656 121.656 122.144 -0.488 18203
1739 1 18 . 1 1 3 3 GLU HA H 3 4.115 4.115 3.916 0.199 18203
1740 1 18 . 1 1 3 3 GLU CA C 3 58.528 58.528 58.843 -0.315 18203
1741 1 18 . 1 1 3 3 GLU CB C 3 29.582 29.582 28.955 0.627 18203
1742 1 18 . 1 1 3 3 GLU H H 3 8.866 8.866 8.878 -0.012 18203
1743 1 18 . 1 1 4 4 ARG N N 4 121.188 121.188 120.005 1.183 18203
1744 1 18 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.118 0.227 18203
1745 1 18 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.509 -1.663 18203
1746 1 18 . 1 1 4 4 ARG CB C 4 30.275 30.275 29.229 1.046 18203
1747 1 18 . 1 1 4 4 ARG H H 4 8.778 8.778 8.589 0.189 18203
1748 1 18 . 1 1 5 5 CYS N N 5 118.492 118.492 119.255 -0.763 18203
1749 1 18 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.253 0.540 18203
1750 1 18 . 1 1 5 5 CYS CA C 5 56.003 56.003 63.297 -7.294 18203
1751 1 18 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.042 13.149 18203
1752 1 18 . 1 1 5 5 CYS H H 5 8.483 8.483 8.735 -0.252 18203
1753 1 18 . 1 1 6 6 CYS N N 6 114.976 114.976 119.224 -4.248 18203
1754 1 18 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.269 0.237 18203
1755 1 18 . 1 1 6 6 CYS CA C 6 56.808 56.808 62.002 -5.194 18203
1756 1 18 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.212 16.703 18203
1757 1 18 . 1 1 6 6 CYS H H 6 8.506 8.506 8.488 0.018 18203
1758 1 18 . 1 1 7 7 LYS N N 7 120.758 120.758 118.355 2.403 18203
1759 1 18 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.238 0.075 18203
1760 1 18 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.175 -1.287 18203
1761 1 18 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.515 0.176 18203
1762 1 18 . 1 1 7 7 LYS H H 7 8.003 8.003 7.879 0.124 18203
1763 1 18 . 1 1 8 8 ASN N N 8 118.023 118.023 116.343 1.680 18203
1764 1 18 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.664 0.145 18203
1765 1 18 . 1 1 8 8 ASN CA C 8 53.017 53.017 54.919 -1.901 18203
1766 1 18 . 1 1 8 8 ASN CB C 8 38.733 38.733 40.496 -1.763 18203
1767 1 18 . 1 1 8 8 ASN H H 8 8.635 8.635 8.149 0.486 18203
1768 1 18 . 1 1 9 9 GLY N N 9 108.647 108.647 109.906 -1.259 18203
1769 1 18 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.883 -1.452 18203
1770 1 18 . 1 1 9 9 GLY H H 9 8.273 8.273 8.996 -0.723 18203
1771 1 18 . 1 1 10 10 LYS N N 10 121.969 121.969 125.000 -3.031 18203
1772 1 18 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.014 0.271 18203
1773 1 18 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.743 -1.436 18203
1774 1 18 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.459 -2.455 18203
1775 1 18 . 1 1 10 10 LYS H H 10 8.595 8.595 8.108 0.487 18203
1776 1 18 . 1 1 11 11 ARG N N 11 119.937 119.937 116.673 3.264 18203
1777 1 18 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.299 -0.029 18203
1778 1 18 . 1 1 11 11 ARG CA C 11 57.382 57.382 56.824 0.558 18203
1779 1 18 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.541 -0.504 18203
1780 1 18 . 1 1 11 11 ARG H H 11 8.377 8.377 7.689 0.688 18203
1781 1 18 . 1 1 12 12 GLY N N 12 107.866 107.866 108.292 -0.426 18203
1782 1 18 . 1 1 12 12 GLY CA C 12 45.191 45.191 45.299 -0.108 18203
1783 1 18 . 1 1 12 12 GLY H H 12 8.045 8.045 7.923 0.122 18203
1784 1 18 . 1 1 13 13 CYS N N 13 118.687 118.687 120.061 -1.374 18203
1785 1 18 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.246 0.460 18203
1786 1 18 . 1 1 13 13 CYS CA C 13 56.393 56.393 61.514 -5.121 18203
1787 1 18 . 1 1 13 13 CYS CB C 13 43.530 43.530 25.533 17.997 18203
1788 1 18 . 1 1 13 13 CYS H H 13 8.174 8.174 8.254 -0.080 18203
1789 1 18 . 1 1 14 14 GLY N N 14 111.655 111.655 112.391 -0.736 18203
1790 1 18 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.820 -0.463 18203
1791 1 18 . 1 1 14 14 GLY H H 14 8.595 8.595 7.827 0.768 18203
1792 1 18 . 1 1 15 15 ARG N N 15 119.859 119.859 119.608 0.251 18203
1793 1 18 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.048 -0.241 18203
1794 1 18 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.102 0.922 18203
1795 1 18 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.468 -0.362 18203
1796 1 18 . 1 1 15 15 ARG H H 15 8.603 8.603 8.734 -0.131 18203
1797 1 18 . 1 1 16 16 TRP N N 16 118.804 118.804 122.094 -3.290 18203
1798 1 18 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.554 -0.145 18203
1799 1 18 . 1 1 16 16 TRP CA C 16 62.774 62.774 60.967 1.807 18203
1800 1 18 . 1 1 16 16 TRP CB C 16 28.631 28.631 29.331 -0.700 18203
1801 1 18 . 1 1 16 16 TRP H H 16 8.771 8.771 8.056 0.715 18203
1802 1 18 . 1 1 17 17 CYS N N 17 118.922 118.922 120.375 -1.453 18203
1803 1 18 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.141 0.293 18203
1804 1 18 . 1 1 17 17 CYS CA C 17 59.097 59.097 61.038 -1.941 18203
1805 1 18 . 1 1 17 17 CYS CB C 17 38.378 38.378 25.652 12.726 18203
1806 1 18 . 1 1 17 17 CYS H H 17 9.036 9.036 8.778 0.258 18203
1807 1 18 . 1 1 18 18 ARG N N 18 122.086 122.086 120.148 1.938 18203
1808 1 18 . 1 1 18 18 ARG HA H 18 3.945 3.945 3.941 0.004 18203
1809 1 18 . 1 1 18 18 ARG CA C 18 59.951 59.951 60.146 -0.195 18203
1810 1 18 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.225 -0.256 18203
1811 1 18 . 1 1 18 18 ARG H H 18 8.843 8.843 8.618 0.225 18203
1812 1 18 . 1 1 19 19 ASP N N 19 116.226 116.226 115.211 1.015 18203
1813 1 18 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.497 -0.064 18203
1814 1 18 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.527 -0.331 18203
1815 1 18 . 1 1 19 19 ASP CB C 19 40.879 40.879 41.400 -0.521 18203
1816 1 18 . 1 1 19 19 ASP H H 19 7.696 7.696 7.869 -0.173 18203
1817 1 18 . 1 1 20 20 HIS N N 20 113.726 113.726 116.002 -2.276 18203
1818 1 18 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.540 -0.037 18203
1819 1 18 . 1 1 20 20 HIS CA C 20 56.641 56.641 56.182 0.459 18203
1820 1 18 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.176 -1.205 18203
1821 1 18 . 1 1 20 20 HIS H H 20 7.545 7.545 8.504 -0.959 18203
1822 1 18 . 1 1 21 21 SER N N 21 115.523 115.523 113.499 2.024 18203
1823 1 18 . 1 1 21 21 SER HA H 21 4.865 4.865 4.727 0.138 18203
1824 1 18 . 1 1 21 21 SER CA C 21 57.689 57.689 57.010 0.679 18203
1825 1 18 . 1 1 21 21 SER CB C 21 66.139 66.139 65.827 0.312 18203
1826 1 18 . 1 1 21 21 SER H H 21 8.156 8.156 8.087 0.069 18203
1827 1 18 . 1 1 22 22 ARG N N 22 125.719 125.719 120.807 4.912 18203
1828 1 18 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.528 -0.126 18203
1829 1 18 . 1 1 22 22 ARG CA C 22 56.964 56.964 55.788 1.176 18203
1830 1 18 . 1 1 22 22 ARG CB C 22 29.771 29.771 29.495 0.276 18203
1831 1 18 . 1 1 22 22 ARG H H 22 9.179 9.179 8.453 0.726 18203
1832 1 18 . 1 1 23 23 CYS N N 23 116.539 116.539 119.082 -2.543 18203
1833 1 18 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.724 -0.220 18203
1834 1 18 . 1 1 23 23 CYS CA C 23 56.750 56.750 59.233 -2.483 18203
1835 1 18 . 1 1 23 23 CYS CB C 23 44.086 44.086 26.405 17.680 18203
1836 1 18 . 1 1 23 23 CYS H H 23 8.354 8.354 8.537 -0.183 18203
1837 1 19 . 1 1 2 2 GLY N N 2 113.101 113.101 110.492 2.609 18203
1838 1 19 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.588 -0.188 18203
1839 1 19 . 1 1 2 2 GLY H H 2 8.729 8.729 8.775 -0.046 18203
1840 1 19 . 1 1 3 3 GLU N N 3 121.656 121.656 120.662 0.994 18203
1841 1 19 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.022 0.093 18203
1842 1 19 . 1 1 3 3 GLU CA C 3 58.528 58.528 59.119 -0.591 18203
1843 1 19 . 1 1 3 3 GLU CB C 3 29.582 29.582 29.018 0.564 18203
1844 1 19 . 1 1 3 3 GLU H H 3 8.866 8.866 8.946 -0.080 18203
1845 1 19 . 1 1 4 4 ARG N N 4 121.188 121.188 119.979 1.209 18203
1846 1 19 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.118 0.227 18203
1847 1 19 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.673 -1.827 18203
1848 1 19 . 1 1 4 4 ARG CB C 4 30.275 30.275 29.096 1.179 18203
1849 1 19 . 1 1 4 4 ARG H H 4 8.778 8.778 8.373 0.405 18203
1850 1 19 . 1 1 5 5 CYS N N 5 118.492 118.492 118.664 -0.172 18203
1851 1 19 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.358 0.435 18203
1852 1 19 . 1 1 5 5 CYS CA C 5 56.003 56.003 62.464 -6.461 18203
1853 1 19 . 1 1 5 5 CYS CB C 5 39.191 39.191 25.610 13.581 18203
1854 1 19 . 1 1 5 5 CYS H H 5 8.483 8.483 8.223 0.260 18203
1855 1 19 . 1 1 6 6 CYS N N 6 114.976 114.976 119.263 -4.287 18203
1856 1 19 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.300 0.206 18203
1857 1 19 . 1 1 6 6 CYS CA C 6 56.808 56.808 61.794 -4.986 18203
1858 1 19 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.516 16.399 18203
1859 1 19 . 1 1 6 6 CYS H H 6 8.506 8.506 7.881 0.625 18203
1860 1 19 . 1 1 7 7 LYS N N 7 120.758 120.758 118.524 2.234 18203
1861 1 19 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.057 0.256 18203
1862 1 19 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.721 -1.833 18203
1863 1 19 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.457 0.234 18203
1864 1 19 . 1 1 7 7 LYS H H 7 8.003 8.003 8.458 -0.455 18203
1865 1 19 . 1 1 8 8 ASN N N 8 118.023 118.023 114.471 3.552 18203
1866 1 19 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.825 -0.016 18203
1867 1 19 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.533 -0.516 18203
1868 1 19 . 1 1 8 8 ASN CB C 8 38.733 38.733 40.565 -1.832 18203
1869 1 19 . 1 1 8 8 ASN H H 8 8.635 8.635 7.761 0.874 18203
1870 1 19 . 1 1 9 9 GLY N N 9 108.647 108.647 110.238 -1.591 18203
1871 1 19 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.770 -1.339 18203
1872 1 19 . 1 1 9 9 GLY H H 9 8.273 8.273 8.685 -0.412 18203
1873 1 19 . 1 1 10 10 LYS N N 10 121.969 121.969 125.163 -3.194 18203
1874 1 19 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.104 0.181 18203
1875 1 19 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.549 -1.242 18203
1876 1 19 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.399 -2.395 18203
1877 1 19 . 1 1 10 10 LYS H H 10 8.595 8.595 8.358 0.237 18203
1878 1 19 . 1 1 11 11 ARG N N 11 119.937 119.937 116.860 3.077 18203
1879 1 19 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.348 -0.078 18203
1880 1 19 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.186 0.196 18203
1881 1 19 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.613 -0.576 18203
1882 1 19 . 1 1 11 11 ARG H H 11 8.377 8.377 7.614 0.763 18203
1883 1 19 . 1 1 12 12 GLY N N 12 107.866 107.866 106.720 1.146 18203
1884 1 19 . 1 1 12 12 GLY CA C 12 45.191 45.191 45.252 -0.060 18203
1885 1 19 . 1 1 12 12 GLY H H 12 8.045 8.045 7.653 0.392 18203
1886 1 19 . 1 1 13 13 CYS N N 13 118.687 118.687 118.347 0.340 18203
1887 1 19 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.316 0.390 18203
1888 1 19 . 1 1 13 13 CYS CA C 13 56.393 56.393 61.290 -4.897 18203
1889 1 19 . 1 1 13 13 CYS CB C 13 43.530 43.530 26.788 16.742 18203
1890 1 19 . 1 1 13 13 CYS H H 13 8.174 8.174 7.543 0.631 18203
1891 1 19 . 1 1 14 14 GLY N N 14 111.655 111.655 107.544 4.111 18203
1892 1 19 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.834 -0.477 18203
1893 1 19 . 1 1 14 14 GLY H H 14 8.595 8.595 7.752 0.843 18203
1894 1 19 . 1 1 15 15 ARG N N 15 119.859 119.859 121.367 -1.508 18203
1895 1 19 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.134 -0.327 18203
1896 1 19 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.398 0.626 18203
1897 1 19 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.158 -0.052 18203
1898 1 19 . 1 1 15 15 ARG H H 15 8.603 8.603 8.888 -0.285 18203
1899 1 19 . 1 1 16 16 TRP N N 16 118.804 118.804 119.724 -0.920 18203
1900 1 19 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.409 -0.000 18203
1901 1 19 . 1 1 16 16 TRP CA C 16 62.774 62.774 61.047 1.727 18203
1902 1 19 . 1 1 16 16 TRP CB C 16 28.631 28.631 28.968 -0.337 18203
1903 1 19 . 1 1 16 16 TRP H H 16 8.771 8.771 7.778 0.993 18203
1904 1 19 . 1 1 17 17 CYS N N 17 118.922 118.922 120.224 -1.302 18203
1905 1 19 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.093 0.341 18203
1906 1 19 . 1 1 17 17 CYS CA C 17 59.097 59.097 60.729 -1.632 18203
1907 1 19 . 1 1 17 17 CYS CB C 17 38.378 38.378 25.777 12.601 18203
1908 1 19 . 1 1 17 17 CYS H H 17 9.036 9.036 8.830 0.206 18203
1909 1 19 . 1 1 18 18 ARG N N 18 122.086 122.086 119.818 2.268 18203
1910 1 19 . 1 1 18 18 ARG HA H 18 3.945 3.945 3.955 -0.010 18203
1911 1 19 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.814 0.137 18203
1912 1 19 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.002 -0.033 18203
1913 1 19 . 1 1 18 18 ARG H H 18 8.843 8.843 8.795 0.048 18203
1914 1 19 . 1 1 19 19 ASP N N 19 116.226 116.226 116.511 -0.285 18203
1915 1 19 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.566 -0.133 18203
1916 1 19 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.457 -0.261 18203
1917 1 19 . 1 1 19 19 ASP CB C 19 40.879 40.879 42.053 -1.175 18203
1918 1 19 . 1 1 19 19 ASP H H 19 7.696 7.696 7.792 -0.096 18203
1919 1 19 . 1 1 20 20 HIS N N 20 113.726 113.726 115.927 -2.201 18203
1920 1 19 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.500 0.003 18203
1921 1 19 . 1 1 20 20 HIS CA C 20 56.641 56.641 56.475 0.166 18203
1922 1 19 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.122 -1.151 18203
1923 1 19 . 1 1 20 20 HIS H H 20 7.545 7.545 8.608 -1.063 18203
1924 1 19 . 1 1 21 21 SER N N 21 115.523 115.523 114.263 1.260 18203
1925 1 19 . 1 1 21 21 SER HA H 21 4.865 4.865 4.677 0.188 18203
1926 1 19 . 1 1 21 21 SER CA C 21 57.689 57.689 57.204 0.485 18203
1927 1 19 . 1 1 21 21 SER CB C 21 66.139 66.139 65.012 1.127 18203
1928 1 19 . 1 1 21 21 SER H H 21 8.156 8.156 8.175 -0.019 18203
1929 1 19 . 1 1 22 22 ARG N N 22 125.719 125.719 123.334 2.385 18203
1930 1 19 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.457 -0.055 18203
1931 1 19 . 1 1 22 22 ARG CA C 22 56.964 56.964 55.174 1.790 18203
1932 1 19 . 1 1 22 22 ARG CB C 22 29.771 29.771 28.429 1.342 18203
1933 1 19 . 1 1 22 22 ARG H H 22 9.179 9.179 8.509 0.670 18203
1934 1 19 . 1 1 23 23 CYS N N 23 116.539 116.539 119.017 -2.478 18203
1935 1 19 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.689 -0.185 18203
1936 1 19 . 1 1 23 23 CYS CA C 23 56.750 56.750 58.789 -2.039 18203
1937 1 19 . 1 1 23 23 CYS CB C 23 44.086 44.086 26.340 17.746 18203
1938 1 19 . 1 1 23 23 CYS H H 23 8.354 8.354 8.512 -0.158 18203
1939 1 20 . 1 1 2 2 GLY N N 2 113.101 113.101 112.530 0.571 18203
1940 1 20 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.814 -0.414 18203
1941 1 20 . 1 1 2 2 GLY H H 2 8.729 8.729 8.232 0.497 18203
1942 1 20 . 1 1 3 3 GLU N N 3 121.656 121.656 121.124 0.532 18203
1943 1 20 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.146 -0.031 18203
1944 1 20 . 1 1 3 3 GLU CA C 3 58.528 58.528 59.015 -0.487 18203
1945 1 20 . 1 1 3 3 GLU CB C 3 29.582 29.582 29.406 0.176 18203
1946 1 20 . 1 1 3 3 GLU H H 3 8.866 8.866 8.747 0.119 18203
1947 1 20 . 1 1 4 4 ARG N N 4 121.188 121.188 117.727 3.461 18203
1948 1 20 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.258 0.087 18203
1949 1 20 . 1 1 4 4 ARG CA C 4 56.846 56.846 57.497 -0.651 18203
1950 1 20 . 1 1 4 4 ARG CB C 4 30.275 30.275 29.088 1.187 18203
1951 1 20 . 1 1 4 4 ARG H H 4 8.778 8.778 8.291 0.487 18203
1952 1 20 . 1 1 5 5 CYS N N 5 118.492 118.492 118.470 0.022 18203
1953 1 20 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.464 0.329 18203
1954 1 20 . 1 1 5 5 CYS CA C 5 56.003 56.003 62.173 -6.170 18203
1955 1 20 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.801 12.390 18203
1956 1 20 . 1 1 5 5 CYS H H 5 8.483 8.483 7.587 0.896 18203
1957 1 20 . 1 1 6 6 CYS N N 6 114.976 114.976 120.074 -5.098 18203
1958 1 20 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.247 0.259 18203
1959 1 20 . 1 1 6 6 CYS CA C 6 56.808 56.808 62.393 -5.585 18203
1960 1 20 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.343 16.572 18203
1961 1 20 . 1 1 6 6 CYS H H 6 8.506 8.506 8.525 -0.019 18203
1962 1 20 . 1 1 7 7 LYS N N 7 120.758 120.758 117.364 3.394 18203
1963 1 20 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.150 0.163 18203
1964 1 20 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.203 -1.315 18203
1965 1 20 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.298 0.393 18203
1966 1 20 . 1 1 7 7 LYS H H 7 8.003 8.003 7.794 0.209 18203
1967 1 20 . 1 1 8 8 ASN N N 8 118.023 118.023 114.796 3.227 18203
1968 1 20 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.830 -0.021 18203
1969 1 20 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.281 -0.264 18203
1970 1 20 . 1 1 8 8 ASN CB C 8 38.733 38.733 40.951 -2.218 18203
1971 1 20 . 1 1 8 8 ASN H H 8 8.635 8.635 7.750 0.885 18203
1972 1 20 . 1 1 9 9 GLY N N 9 108.647 108.647 110.610 -1.963 18203
1973 1 20 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.690 -1.259 18203
1974 1 20 . 1 1 9 9 GLY H H 9 8.273 8.273 8.915 -0.642 18203
1975 1 20 . 1 1 10 10 LYS N N 10 121.969 121.969 124.486 -2.517 18203
1976 1 20 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.055 0.230 18203
1977 1 20 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.530 -1.223 18203
1978 1 20 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.282 -2.278 18203
1979 1 20 . 1 1 10 10 LYS H H 10 8.595 8.595 8.285 0.310 18203
1980 1 20 . 1 1 11 11 ARG N N 11 119.937 119.937 116.316 3.621 18203
1981 1 20 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.388 -0.118 18203
1982 1 20 . 1 1 11 11 ARG CA C 11 57.382 57.382 56.943 0.439 18203
1983 1 20 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.467 -0.430 18203
1984 1 20 . 1 1 11 11 ARG H H 11 8.377 8.377 7.748 0.629 18203
1985 1 20 . 1 1 12 12 GLY N N 12 107.866 107.866 107.689 0.177 18203
1986 1 20 . 1 1 12 12 GLY CA C 12 45.191 45.191 45.363 -0.172 18203
1987 1 20 . 1 1 12 12 GLY H H 12 8.045 8.045 7.789 0.256 18203
1988 1 20 . 1 1 13 13 CYS N N 13 118.687 118.687 121.019 -2.332 18203
1989 1 20 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.110 0.596 18203
1990 1 20 . 1 1 13 13 CYS CA C 13 56.393 56.393 60.735 -4.342 18203
1991 1 20 . 1 1 13 13 CYS CB C 13 43.530 43.530 25.381 18.149 18203
1992 1 20 . 1 1 13 13 CYS H H 13 8.174 8.174 8.061 0.113 18203
1993 1 20 . 1 1 14 14 GLY N N 14 111.655 111.655 112.854 -1.199 18203
1994 1 20 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.834 -0.477 18203
1995 1 20 . 1 1 14 14 GLY H H 14 8.595 8.595 7.612 0.983 18203
1996 1 20 . 1 1 15 15 ARG N N 15 119.859 119.859 121.325 -1.466 18203
1997 1 20 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.013 -0.206 18203
1998 1 20 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.254 0.770 18203
1999 1 20 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.236 -0.130 18203
2000 1 20 . 1 1 15 15 ARG H H 15 8.603 8.603 8.775 -0.172 18203
2001 1 20 . 1 1 16 16 TRP N N 16 118.804 118.804 122.144 -3.340 18203
2002 1 20 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.496 -0.087 18203
2003 1 20 . 1 1 16 16 TRP CA C 16 62.774 62.774 61.448 1.326 18203
2004 1 20 . 1 1 16 16 TRP CB C 16 28.631 28.631 29.201 -0.570 18203
2005 1 20 . 1 1 16 16 TRP H H 16 8.771 8.771 8.070 0.701 18203
2006 1 20 . 1 1 17 17 CYS N N 17 118.922 118.922 119.869 -0.947 18203
2007 1 20 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.086 0.348 18203
2008 1 20 . 1 1 17 17 CYS CA C 17 59.097 59.097 60.574 -1.477 18203
2009 1 20 . 1 1 17 17 CYS CB C 17 38.378 38.378 25.722 12.656 18203
2010 1 20 . 1 1 17 17 CYS H H 17 9.036 9.036 8.871 0.165 18203
2011 1 20 . 1 1 18 18 ARG N N 18 122.086 122.086 120.481 1.605 18203
2012 1 20 . 1 1 18 18 ARG HA H 18 3.945 3.945 4.269 -0.324 18203
2013 1 20 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.552 0.399 18203
2014 1 20 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.004 -0.035 18203
2015 1 20 . 1 1 18 18 ARG H H 18 8.843 8.843 8.850 -0.007 18203
2016 1 20 . 1 1 19 19 ASP N N 19 116.226 116.226 115.912 0.314 18203
2017 1 20 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.580 -0.147 18203
2018 1 20 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.581 -0.385 18203
2019 1 20 . 1 1 19 19 ASP CB C 19 40.879 40.879 42.136 -1.257 18203
2020 1 20 . 1 1 19 19 ASP H H 19 7.696 7.696 8.045 -0.349 18203
2021 1 20 . 1 1 20 20 HIS N N 20 113.726 113.726 116.757 -3.031 18203
2022 1 20 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.451 0.052 18203
2023 1 20 . 1 1 20 20 HIS CA C 20 56.641 56.641 56.507 0.134 18203
2024 1 20 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.225 -1.254 18203
2025 1 20 . 1 1 20 20 HIS H H 20 7.545 7.545 8.522 -0.977 18203
2026 1 20 . 1 1 21 21 SER N N 21 115.523 115.523 115.368 0.155 18203
2027 1 20 . 1 1 21 21 SER HA H 21 4.865 4.865 4.559 0.306 18203
2028 1 20 . 1 1 21 21 SER CA C 21 57.689 57.689 57.283 0.406 18203
2029 1 20 . 1 1 21 21 SER CB C 21 66.139 66.139 64.409 1.730 18203
2030 1 20 . 1 1 21 21 SER H H 21 8.156 8.156 8.451 -0.295 18203
2031 1 20 . 1 1 22 22 ARG N N 22 125.719 125.719 126.958 -1.239 18203
2032 1 20 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.292 0.110 18203
2033 1 20 . 1 1 22 22 ARG CA C 22 56.964 56.964 56.330 0.634 18203
2034 1 20 . 1 1 22 22 ARG CB C 22 29.771 29.771 27.684 2.087 18203
2035 1 20 . 1 1 22 22 ARG H H 22 9.179 9.179 8.890 0.289 18203
2036 1 20 . 1 1 23 23 CYS N N 23 116.539 116.539 119.564 -3.025 18203
2037 1 20 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.657 -0.153 18203
2038 1 20 . 1 1 23 23 CYS CA C 23 56.750 56.750 58.696 -1.946 18203
2039 1 20 . 1 1 23 23 CYS CB C 23 44.086 44.086 26.852 17.234 18203
2040 1 20 . 1 1 23 23 CYS H H 23 8.354 8.354 8.623 -0.269 18203
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 22 2.470 -0.187 2.521 18203
2 1 1 "Average Difference" HA 26 0.244 -0.096 0.228 18203
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18203
4 1 1 "Average Difference" CA 22 2.253 1.074 2.027 18203
5 1 1 "Average Difference" CB 18 8.147 -3.972 7.320 18203
6 1 1 "Average Difference" HN 22 0.430 -0.105 0.427 18203
7 1 2 "Average Difference" N 22 2.366 -0.297 2.402 18203
8 1 2 "Average Difference" HA 26 0.287 -0.100 0.274 18203
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18203
10 1 2 "Average Difference" CA 22 2.208 1.027 2.001 18203
11 1 2 "Average Difference" CB 18 7.875 -4.007 6.976 18203
12 1 2 "Average Difference" HN 22 0.472 -0.155 0.457 18203
13 1 3 "Average Difference" N 22 2.416 -0.198 2.464 18203
14 1 3 "Average Difference" HA 26 0.298 -0.037 0.301 18203
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18203
16 1 3 "Average Difference" CA 22 2.215 0.929 2.058 18203
17 1 3 "Average Difference" CB 18 8.355 -3.993 7.552 18203
18 1 3 "Average Difference" HN 22 0.443 -0.104 0.441 18203
19 1 4 "Average Difference" N 22 2.142 -0.181 2.184 18203
20 1 4 "Average Difference" HA 26 0.314 -0.089 0.307 18203
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18203
22 1 4 "Average Difference" CA 22 2.413 1.158 2.167 18203
23 1 4 "Average Difference" CB 18 8.326 -4.182 7.408 18203
24 1 4 "Average Difference" HN 22 0.513 -0.109 0.513 18203
25 1 5 "Average Difference" N 22 2.758 -0.266 2.809 18203
26 1 5 "Average Difference" HA 26 0.271 -0.121 0.247 18203
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18203
28 1 5 "Average Difference" CA 22 2.491 1.167 2.252 18203
29 1 5 "Average Difference" CB 18 8.308 -4.094 7.439 18203
30 1 5 "Average Difference" HN 22 0.525 -0.089 0.530 18203
31 1 6 "Average Difference" N 22 2.143 0.273 2.176 18203
32 1 6 "Average Difference" HA 26 0.294 -0.078 0.290 18203
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18203
34 1 6 "Average Difference" CA 22 2.330 1.251 2.012 18203
35 1 6 "Average Difference" CB 18 8.264 -4.202 7.322 18203
36 1 6 "Average Difference" HN 22 0.461 -0.096 0.462 18203
37 1 7 "Average Difference" N 22 2.037 0.011 2.085 18203
38 1 7 "Average Difference" HA 26 0.269 -0.074 0.264 18203
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18203
40 1 7 "Average Difference" CA 22 2.299 1.094 2.069 18203
41 1 7 "Average Difference" CB 18 8.261 -4.045 7.412 18203
42 1 7 "Average Difference" HN 22 0.491 -0.096 0.493 18203
43 1 8 "Average Difference" N 22 2.351 -0.131 2.402 18203
44 1 8 "Average Difference" HA 26 0.302 -0.035 0.306 18203
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18203
46 1 8 "Average Difference" CA 22 2.294 1.048 2.088 18203
47 1 8 "Average Difference" CB 18 8.374 -4.030 7.554 18203
48 1 8 "Average Difference" HN 22 0.521 -0.135 0.515 18203
49 1 9 "Average Difference" N 22 2.510 -0.229 2.558 18203
50 1 9 "Average Difference" HA 26 0.269 -0.121 0.245 18203
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18203
52 1 9 "Average Difference" CA 22 2.391 1.154 2.143 18203
53 1 9 "Average Difference" CB 18 8.380 -4.015 7.569 18203
54 1 9 "Average Difference" HN 22 0.556 -0.144 0.549 18203
55 1 10 "Average Difference" N 22 2.669 0.199 2.724 18203
56 1 10 "Average Difference" HA 26 0.251 -0.042 0.252 18203
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18203
58 1 10 "Average Difference" CA 22 2.141 1.039 1.915 18203
59 1 10 "Average Difference" CB 18 8.258 -4.185 7.325 18203
60 1 10 "Average Difference" HN 22 0.527 -0.089 0.532 18203
61 1 11 "Average Difference" N 22 2.479 0.139 2.533 18203
62 1 11 "Average Difference" HA 26 0.269 -0.089 0.259 18203
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18203
64 1 11 "Average Difference" CA 22 2.286 1.165 2.014 18203
65 1 11 "Average Difference" CB 18 8.287 -4.117 7.401 18203
66 1 11 "Average Difference" HN 22 0.442 -0.142 0.429 18203
67 1 12 "Average Difference" N 22 2.164 0.006 2.214 18203
68 1 12 "Average Difference" HA 26 0.257 -0.113 0.235 18203
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18203
70 1 12 "Average Difference" CA 22 2.400 1.192 2.132 18203
71 1 12 "Average Difference" CB 18 8.379 -3.958 7.600 18203
72 1 12 "Average Difference" HN 22 0.481 -0.142 0.471 18203
73 1 13 "Average Difference" N 22 2.146 0.441 2.150 18203
74 1 13 "Average Difference" HA 26 0.300 -0.122 0.280 18203
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18203
76 1 13 "Average Difference" CA 22 2.250 1.202 1.947 18203
77 1 13 "Average Difference" CB 18 8.225 -4.199 7.278 18203
78 1 13 "Average Difference" HN 22 0.498 -0.063 0.506 18203
79 1 14 "Average Difference" N 22 2.650 -0.336 2.690 18203
80 1 14 "Average Difference" HA 26 0.239 -0.093 0.224 18203
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18203
82 1 14 "Average Difference" CA 22 2.443 1.181 2.189 18203
83 1 14 "Average Difference" CB 18 8.490 -4.053 7.677 18203
84 1 14 "Average Difference" HN 22 0.466 -0.084 0.469 18203
85 1 15 "Average Difference" N 22 2.336 -0.226 2.379 18203
86 1 15 "Average Difference" HA 26 0.304 -0.136 0.277 18203
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18203
88 1 15 "Average Difference" CA 22 2.584 1.322 2.272 18203
89 1 15 "Average Difference" CB 18 8.502 -4.068 7.682 18203
90 1 15 "Average Difference" HN 22 0.506 -0.091 0.509 18203
91 1 16 "Average Difference" N 22 2.500 0.088 2.557 18203
92 1 16 "Average Difference" HA 26 0.274 -0.113 0.254 18203
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18203
94 1 16 "Average Difference" CA 22 2.273 1.122 2.023 18203
95 1 16 "Average Difference" CB 18 8.391 -4.085 7.542 18203
96 1 16 "Average Difference" HN 22 0.507 -0.195 0.479 18203
97 1 17 "Average Difference" N 22 2.532 0.650 2.505 18203
98 1 17 "Average Difference" HA 26 0.283 -0.090 0.273 18203
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18203
100 1 17 "Average Difference" CA 22 2.222 1.208 1.910 18203
101 1 17 "Average Difference" CB 18 8.360 -4.178 7.451 18203
102 1 17 "Average Difference" HN 22 0.560 -0.137 0.556 18203
103 1 18 "Average Difference" N 22 2.370 -0.018 2.426 18203
104 1 18 "Average Difference" HA 26 0.272 -0.099 0.258 18203
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18203
106 1 18 "Average Difference" CA 22 2.483 1.177 2.237 18203
107 1 18 "Average Difference" CB 18 8.379 -4.051 7.547 18203
108 1 18 "Average Difference" HN 22 0.447 -0.097 0.447 18203
109 1 19 "Average Difference" N 22 2.277 -0.329 2.306 18203
110 1 19 "Average Difference" HA 26 0.259 -0.117 0.236 18203
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18203
112 1 19 "Average Difference" CA 22 2.289 1.056 2.079 18203
113 1 19 "Average Difference" CB 18 8.248 -4.109 7.359 18203
114 1 19 "Average Difference" HN 22 0.539 -0.197 0.514 18203
115 1 20 "Average Difference" N 22 2.407 0.413 2.427 18203
116 1 20 "Average Difference" HA 26 0.277 -0.062 0.276 18203
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18203
118 1 20 "Average Difference" CA 22 2.169 1.003 1.968 18203
119 1 20 "Average Difference" CB 18 8.291 -4.133 7.396 18203
120 1 20 "Average Difference" HN 22 0.520 -0.173 0.502 18203
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 18203
_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 GLY N N 2 113.101 113.101 110.985 2.116 18203
2 1 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.808 -0.408 18203
3 1 . 1 1 2 2 GLY H H 2 8.729 8.729 8.554 0.175 18203
4 1 . 1 1 3 3 GLU N N 3 121.656 121.656 121.507 0.149 18203
5 1 . 1 1 3 3 GLU HA H 3 4.115 4.115 3.986 0.129 18203
6 1 . 1 1 3 3 GLU CA C 3 58.528 58.528 58.997 -0.469 18203
7 1 . 1 1 3 3 GLU CB C 3 29.582 29.582 29.041 0.541 18203
8 1 . 1 1 3 3 GLU H H 3 8.866 8.866 8.826 0.040 18203
9 1 . 1 1 4 4 ARG N N 4 121.188 121.188 119.776 1.412 18203
10 1 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.114 0.231 18203
11 1 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.209 -1.363 18203
12 1 . 1 1 4 4 ARG CB C 4 30.275 30.275 28.976 1.299 18203
13 1 . 1 1 4 4 ARG H H 4 8.778 8.778 8.553 0.225 18203
14 1 . 1 1 5 5 CYS N N 5 118.492 118.492 118.699 -0.207 18203
15 1 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.314 0.479 18203
16 1 . 1 1 5 5 CYS CA C 5 56.003 56.003 62.998 -6.995 18203
17 1 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.129 13.062 18203
18 1 . 1 1 5 5 CYS H H 5 8.483 8.483 8.578 -0.095 18203
19 1 . 1 1 6 6 CYS N N 6 114.976 114.976 119.040 -4.064 18203
20 1 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.268 0.238 18203
21 1 . 1 1 6 6 CYS CA C 6 56.808 56.808 61.564 -4.756 18203
22 1 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.158 16.757 18203
23 1 . 1 1 6 6 CYS H H 6 8.506 8.506 8.395 0.111 18203
24 1 . 1 1 7 7 LYS N N 7 120.758 120.758 118.050 2.708 18203
25 1 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.113 0.200 18203
26 1 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.480 -1.592 18203
27 1 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.355 0.336 18203
28 1 . 1 1 7 7 LYS H H 7 8.003 8.003 8.061 -0.058 18203
29 1 . 1 1 8 8 ASN N N 8 118.023 118.023 114.736 3.287 18203
30 1 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.857 -0.048 18203
31 1 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.344 -0.327 18203
32 1 . 1 1 8 8 ASN CB C 8 38.733 38.733 41.007 -2.274 18203
33 1 . 1 1 8 8 ASN H H 8 8.635 8.635 7.804 0.831 18203
34 1 . 1 1 9 9 GLY N N 9 108.647 108.647 110.393 -1.746 18203
35 1 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.824 -1.393 18203
36 1 . 1 1 9 9 GLY H H 9 8.273 8.273 8.690 -0.417 18203
37 1 . 1 1 10 10 LYS N N 10 121.969 121.969 124.499 -2.531 18203
38 1 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.040 0.245 18203
39 1 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.436 -1.129 18203
40 1 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.115 -2.111 18203
41 1 . 1 1 10 10 LYS H H 10 8.595 8.595 8.392 0.203 18203
42 1 . 1 1 11 11 ARG N N 11 119.937 119.937 116.587 3.350 18203
43 1 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.299 -0.029 18203
44 1 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.387 -0.005 18203
45 1 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.504 -0.467 18203
46 1 . 1 1 11 11 ARG H H 11 8.377 8.377 7.928 0.449 18203
47 1 . 1 1 12 12 GLY N N 12 107.866 107.866 106.906 0.960 18203
48 1 . 1 1 12 12 GLY CA C 12 45.191 45.191 45.137 0.055 18203
49 1 . 1 1 12 12 GLY H H 12 8.045 8.045 7.766 0.279 18203
50 1 . 1 1 13 13 CYS N N 13 118.687 118.687 120.046 -1.359 18203
51 1 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.284 0.421 18203
52 1 . 1 1 13 13 CYS CA C 13 56.393 56.393 60.875 -4.482 18203
53 1 . 1 1 13 13 CYS CB C 13 43.530 43.530 25.746 17.784 18203
54 1 . 1 1 13 13 CYS H H 13 8.174 8.174 7.775 0.399 18203
55 1 . 1 1 14 14 GLY N N 14 111.655 111.655 111.744 -0.089 18203
56 1 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.801 -0.444 18203
57 1 . 1 1 14 14 GLY H H 14 8.595 8.595 7.794 0.801 18203
58 1 . 1 1 15 15 ARG N N 15 119.859 119.859 120.317 -0.458 18203
59 1 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.081 -0.274 18203
60 1 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.476 0.548 18203
61 1 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.252 -0.146 18203
62 1 . 1 1 15 15 ARG H H 15 8.603 8.603 8.825 -0.222 18203
63 1 . 1 1 16 16 TRP N N 16 118.804 118.804 121.097 -2.293 18203
64 1 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.445 -0.036 18203
65 1 . 1 1 16 16 TRP CA C 16 62.774 62.774 61.051 1.723 18203
66 1 . 1 1 16 16 TRP CB C 16 28.631 28.631 29.073 -0.442 18203
67 1 . 1 1 16 16 TRP H H 16 8.771 8.771 7.938 0.833 18203
68 1 . 1 1 17 17 CYS N N 17 118.922 118.922 119.675 -0.753 18203
69 1 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.104 0.330 18203
70 1 . 1 1 17 17 CYS CA C 17 59.097 59.097 61.424 -2.327 18203
71 1 . 1 1 17 17 CYS CB C 17 38.378 38.378 25.865 12.513 18203
72 1 . 1 1 17 17 CYS H H 17 9.036 9.036 8.778 0.258 18203
73 1 . 1 1 18 18 ARG N N 18 122.086 122.086 120.444 1.642 18203
74 1 . 1 1 18 18 ARG HA H 18 3.945 3.945 4.003 -0.058 18203
75 1 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.795 0.156 18203
76 1 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.116 -0.147 18203
77 1 . 1 1 18 18 ARG H H 18 8.843 8.843 8.735 0.108 18203
78 1 . 1 1 19 19 ASP N N 19 116.226 116.226 116.059 0.167 18203
79 1 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.568 -0.135 18203
80 1 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.880 -0.684 18203
81 1 . 1 1 19 19 ASP CB C 19 40.879 40.879 41.779 -0.900 18203
82 1 . 1 1 19 19 ASP H H 19 7.696 7.696 8.120 -0.424 18203
83 1 . 1 1 20 20 HIS N N 20 113.726 113.726 116.638 -2.912 18203
84 1 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.502 0.001 18203
85 1 . 1 1 20 20 HIS CA C 20 56.641 56.641 56.407 0.234 18203
86 1 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.446 -1.475 18203
87 1 . 1 1 20 20 HIS H H 20 7.545 7.545 8.583 -1.039 18203
88 1 . 1 1 21 21 SER N N 21 115.523 115.523 114.015 1.508 18203
89 1 . 1 1 21 21 SER HA H 21 4.865 4.865 4.673 0.192 18203
90 1 . 1 1 21 21 SER CA C 21 57.689 57.689 57.366 0.323 18203
91 1 . 1 1 21 21 SER CB C 21 66.139 66.139 64.988 1.151 18203
92 1 . 1 1 21 21 SER H H 21 8.156 8.156 8.320 -0.164 18203
93 1 . 1 1 22 22 ARG N N 22 125.719 125.719 123.657 2.062 18203
94 1 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.437 -0.035 18203
95 1 . 1 1 22 22 ARG CA C 22 56.964 56.964 56.257 0.708 18203
96 1 . 1 1 22 22 ARG CB C 22 29.771 29.771 28.946 0.825 18203
97 1 . 1 1 22 22 ARG H H 22 9.179 9.179 8.644 0.535 18203
98 1 . 1 1 23 23 CYS N N 23 116.539 116.539 119.291 -2.752 18203
99 1 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.654 -0.150 18203
100 1 . 1 1 23 23 CYS CA C 23 56.750 56.750 58.948 -2.198 18203
101 1 . 1 1 23 23 CYS CB C 23 44.086 44.086 26.883 17.203 18203
102 1 . 1 1 23 23 CYS H H 23 8.354 8.354 8.493 -0.139 18203
stop_
save_