data_25186
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25186
_Entry.PDB_ID 2MTT
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 25186
_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 5 5 ASP N N 5 124.617 124.617 125.249 -0.632 25186
2 1 1 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.846 0.245 25186
3 1 1 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.940 -2.153 25186
4 1 1 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.015 1.207 25186
5 1 1 . 1 1 5 5 ASP H H 5 8.296 8.296 7.617 0.679 25186
6 1 1 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.417 -0.060 25186
7 1 1 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.243 0.433 25186
8 1 1 . 1 1 6 6 PRO CB C 6 32.325 32.325 31.979 0.346 25186
9 1 1 . 1 1 7 7 ARG N N 7 116.037 116.037 116.823 -0.786 25186
10 1 1 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.292 -0.038 25186
11 1 1 . 1 1 7 7 ARG CA C 7 56.622 56.622 55.462 1.161 25186
12 1 1 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.483 0.248 25186
13 1 1 . 1 1 7 7 ARG H H 7 8.528 8.528 8.221 0.307 25186
14 1 1 . 1 1 8 8 CYS N N 8 120.399 120.399 118.720 1.679 25186
15 1 1 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.217 0.146 25186
16 1 1 . 1 1 8 8 CYS CA C 8 55.565 55.565 60.391 -4.826 25186
17 1 1 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.449 13.126 25186
18 1 1 . 1 1 8 8 CYS H H 8 7.957 7.957 7.525 0.432 25186
19 1 1 . 1 1 9 9 ARG N N 9 125.480 125.480 124.408 1.072 25186
20 1 1 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.120 -0.045 25186
21 1 1 . 1 1 9 9 ARG CA C 9 57.743 57.743 58.439 -0.696 25186
22 1 1 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.714 -0.793 25186
23 1 1 . 1 1 9 9 ARG H H 9 8.552 8.552 8.803 -0.251 25186
24 1 1 . 1 1 10 10 TYR N N 10 117.831 117.831 116.088 1.743 25186
25 1 1 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.755 0.016 25186
26 1 1 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.063 -0.280 25186
27 1 1 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.832 -0.465 25186
28 1 1 . 1 1 10 10 TYR H H 10 7.339 7.339 7.465 -0.126 25186
29 1 2 . 1 1 5 5 ASP N N 5 124.617 124.617 124.542 0.075 25186
30 1 2 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.792 0.299 25186
31 1 2 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.821 -2.034 25186
32 1 2 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.348 0.874 25186
33 1 2 . 1 1 5 5 ASP H H 5 8.296 8.296 8.033 0.263 25186
34 1 2 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.441 -0.084 25186
35 1 2 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.380 0.295 25186
36 1 2 . 1 1 6 6 PRO CB C 6 32.325 32.325 32.090 0.235 25186
37 1 2 . 1 1 7 7 ARG N N 7 116.037 116.037 117.242 -1.205 25186
38 1 2 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.365 -0.111 25186
39 1 2 . 1 1 7 7 ARG CA C 7 56.622 56.622 55.421 1.201 25186
40 1 2 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.900 -0.169 25186
41 1 2 . 1 1 7 7 ARG H H 7 8.528 8.528 8.370 0.158 25186
42 1 2 . 1 1 8 8 CYS N N 8 120.399 120.399 119.121 1.278 25186
43 1 2 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.229 0.134 25186
44 1 2 . 1 1 8 8 CYS CA C 8 55.565 55.565 60.332 -4.767 25186
45 1 2 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.479 13.097 25186
46 1 2 . 1 1 8 8 CYS H H 8 7.957 7.957 7.460 0.497 25186
47 1 2 . 1 1 9 9 ARG N N 9 125.480 125.480 125.755 -0.275 25186
48 1 2 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.118 -0.043 25186
49 1 2 . 1 1 9 9 ARG CA C 9 57.743 57.743 57.930 -0.187 25186
50 1 2 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.537 -0.616 25186
51 1 2 . 1 1 9 9 ARG H H 9 8.552 8.552 8.784 -0.232 25186
52 1 2 . 1 1 10 10 TYR N N 10 117.831 117.831 116.971 0.860 25186
53 1 2 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.778 -0.007 25186
54 1 2 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.118 -0.335 25186
55 1 2 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.859 -0.492 25186
56 1 2 . 1 1 10 10 TYR H H 10 7.339 7.339 7.205 0.134 25186
57 1 3 . 1 1 5 5 ASP N N 5 124.617 124.617 123.316 1.301 25186
58 1 3 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.982 0.109 25186
59 1 3 . 1 1 5 5 ASP CA C 5 50.787 50.787 51.888 -1.101 25186
60 1 3 . 1 1 5 5 ASP CB C 5 42.222 42.222 42.331 -0.109 25186
61 1 3 . 1 1 5 5 ASP H H 5 8.296 8.296 7.711 0.585 25186
62 1 3 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.358 -0.001 25186
63 1 3 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.332 0.343 25186
64 1 3 . 1 1 6 6 PRO CB C 6 32.325 32.325 32.022 0.303 25186
65 1 3 . 1 1 7 7 ARG N N 7 116.037 116.037 116.864 -0.827 25186
66 1 3 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.216 0.038 25186
67 1 3 . 1 1 7 7 ARG CA C 7 56.622 56.622 56.590 0.032 25186
68 1 3 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.938 -0.207 25186
69 1 3 . 1 1 7 7 ARG H H 7 8.528 8.528 8.073 0.455 25186
70 1 3 . 1 1 8 8 CYS N N 8 120.399 120.399 118.833 1.566 25186
71 1 3 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.284 0.079 25186
72 1 3 . 1 1 8 8 CYS CA C 8 55.565 55.565 59.545 -3.980 25186
73 1 3 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.773 12.802 25186
74 1 3 . 1 1 8 8 CYS H H 8 7.957 7.957 7.587 0.370 25186
75 1 3 . 1 1 9 9 ARG N N 9 125.480 125.480 122.349 3.131 25186
76 1 3 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.094 -0.019 25186
77 1 3 . 1 1 9 9 ARG CA C 9 57.743 57.743 58.443 -0.700 25186
78 1 3 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.541 -0.620 25186
79 1 3 . 1 1 9 9 ARG H H 9 8.552 8.552 8.643 -0.091 25186
80 1 3 . 1 1 10 10 TYR N N 10 117.831 117.831 116.709 1.122 25186
81 1 3 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.774 -0.003 25186
82 1 3 . 1 1 10 10 TYR CA C 10 55.783 55.783 55.855 -0.072 25186
83 1 3 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.730 -0.363 25186
84 1 3 . 1 1 10 10 TYR H H 10 7.339 7.339 7.212 0.127 25186
85 1 4 . 1 1 5 5 ASP N N 5 124.617 124.617 125.886 -1.269 25186
86 1 4 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.946 0.145 25186
87 1 4 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.347 -1.560 25186
88 1 4 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.788 0.434 25186
89 1 4 . 1 1 5 5 ASP H H 5 8.296 8.296 8.468 -0.172 25186
90 1 4 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.246 0.111 25186
91 1 4 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.208 0.467 25186
92 1 4 . 1 1 6 6 PRO CB C 6 32.325 32.325 32.124 0.201 25186
93 1 4 . 1 1 7 7 ARG N N 7 116.037 116.037 117.213 -1.176 25186
94 1 4 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.324 -0.070 25186
95 1 4 . 1 1 7 7 ARG CA C 7 56.622 56.622 55.912 0.710 25186
96 1 4 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.806 -0.075 25186
97 1 4 . 1 1 7 7 ARG H H 7 8.528 8.528 7.952 0.576 25186
98 1 4 . 1 1 8 8 CYS N N 8 120.399 120.399 118.844 1.555 25186
99 1 4 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.115 0.248 25186
100 1 4 . 1 1 8 8 CYS CA C 8 55.565 55.565 59.947 -4.382 25186
101 1 4 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.072 13.504 25186
102 1 4 . 1 1 8 8 CYS H H 8 7.957 7.957 7.518 0.439 25186
103 1 4 . 1 1 9 9 ARG N N 9 125.480 125.480 126.046 -0.566 25186
104 1 4 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.122 -0.047 25186
105 1 4 . 1 1 9 9 ARG CA C 9 57.743 57.743 58.174 -0.431 25186
106 1 4 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.613 -0.692 25186
107 1 4 . 1 1 9 9 ARG H H 9 8.552 8.552 8.727 -0.175 25186
108 1 4 . 1 1 10 10 TYR N N 10 117.831 117.831 115.479 2.352 25186
109 1 4 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.885 -0.114 25186
110 1 4 . 1 1 10 10 TYR CA C 10 55.783 55.783 55.898 -0.115 25186
111 1 4 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.751 -0.384 25186
112 1 4 . 1 1 10 10 TYR H H 10 7.339 7.339 7.068 0.271 25186
113 1 5 . 1 1 5 5 ASP N N 5 124.617 124.617 123.574 1.043 25186
114 1 5 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.943 0.148 25186
115 1 5 . 1 1 5 5 ASP CA C 5 50.787 50.787 51.749 -0.962 25186
116 1 5 . 1 1 5 5 ASP CB C 5 42.222 42.222 42.547 -0.325 25186
117 1 5 . 1 1 5 5 ASP H H 5 8.296 8.296 7.879 0.417 25186
118 1 5 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.332 0.025 25186
119 1 5 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.459 0.216 25186
120 1 5 . 1 1 6 6 PRO CB C 6 32.325 32.325 32.084 0.241 25186
121 1 5 . 1 1 7 7 ARG N N 7 116.037 116.037 118.786 -2.749 25186
122 1 5 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.291 -0.037 25186
123 1 5 . 1 1 7 7 ARG CA C 7 56.622 56.622 55.239 1.383 25186
124 1 5 . 1 1 7 7 ARG CB C 7 29.731 29.731 28.730 1.000 25186
125 1 5 . 1 1 7 7 ARG H H 7 8.528 8.528 8.255 0.273 25186
126 1 5 . 1 1 8 8 CYS N N 8 120.399 120.399 119.409 0.990 25186
127 1 5 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.212 0.151 25186
128 1 5 . 1 1 8 8 CYS CA C 8 55.565 55.565 60.718 -5.153 25186
129 1 5 . 1 1 8 8 CYS CB C 8 40.575 40.575 28.003 12.572 25186
130 1 5 . 1 1 8 8 CYS H H 8 7.957 7.957 8.363 -0.406 25186
131 1 5 . 1 1 9 9 ARG N N 9 125.480 125.480 123.990 1.490 25186
132 1 5 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.182 -0.107 25186
133 1 5 . 1 1 9 9 ARG CA C 9 57.743 57.743 57.803 -0.060 25186
134 1 5 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.286 -0.365 25186
135 1 5 . 1 1 9 9 ARG H H 9 8.552 8.552 8.959 -0.407 25186
136 1 5 . 1 1 10 10 TYR N N 10 117.831 117.831 116.954 0.877 25186
137 1 5 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.741 0.030 25186
138 1 5 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.120 -0.337 25186
139 1 5 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.574 -0.207 25186
140 1 5 . 1 1 10 10 TYR H H 10 7.339 7.339 7.403 -0.064 25186
141 1 6 . 1 1 5 5 ASP N N 5 124.617 124.617 125.241 -0.624 25186
142 1 6 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.980 0.111 25186
143 1 6 . 1 1 5 5 ASP CA C 5 50.787 50.787 51.626 -0.839 25186
144 1 6 . 1 1 5 5 ASP CB C 5 42.222 42.222 42.231 -0.009 25186
145 1 6 . 1 1 5 5 ASP H H 5 8.296 8.296 8.237 0.059 25186
146 1 6 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.307 0.050 25186
147 1 6 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.175 0.500 25186
148 1 6 . 1 1 6 6 PRO CB C 6 32.325 32.325 32.249 0.076 25186
149 1 6 . 1 1 7 7 ARG N N 7 116.037 116.037 117.883 -1.846 25186
150 1 6 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.281 -0.027 25186
151 1 6 . 1 1 7 7 ARG CA C 7 56.622 56.622 55.672 0.950 25186
152 1 6 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.556 0.175 25186
153 1 6 . 1 1 7 7 ARG H H 7 8.528 8.528 7.925 0.603 25186
154 1 6 . 1 1 8 8 CYS N N 8 120.399 120.399 119.318 1.081 25186
155 1 6 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.190 0.173 25186
156 1 6 . 1 1 8 8 CYS CA C 8 55.565 55.565 59.873 -4.308 25186
157 1 6 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.319 13.256 25186
158 1 6 . 1 1 8 8 CYS H H 8 7.957 7.957 7.461 0.496 25186
159 1 6 . 1 1 9 9 ARG N N 9 125.480 125.480 125.435 0.045 25186
160 1 6 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.156 -0.081 25186
161 1 6 . 1 1 9 9 ARG CA C 9 57.743 57.743 57.806 -0.063 25186
162 1 6 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.381 -0.460 25186
163 1 6 . 1 1 9 9 ARG H H 9 8.552 8.552 8.790 -0.238 25186
164 1 6 . 1 1 10 10 TYR N N 10 117.831 117.831 116.811 1.020 25186
165 1 6 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.888 -0.117 25186
166 1 6 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.171 -0.388 25186
167 1 6 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.650 -0.283 25186
168 1 6 . 1 1 10 10 TYR H H 10 7.339 7.339 7.146 0.193 25186
169 1 7 . 1 1 5 5 ASP N N 5 124.617 124.617 126.695 -2.078 25186
170 1 7 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.851 0.240 25186
171 1 7 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.603 -1.816 25186
172 1 7 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.405 0.817 25186
173 1 7 . 1 1 5 5 ASP H H 5 8.296 8.296 7.802 0.494 25186
174 1 7 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.315 0.042 25186
175 1 7 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.284 0.391 25186
176 1 7 . 1 1 6 6 PRO CB C 6 32.325 32.325 31.854 0.471 25186
177 1 7 . 1 1 7 7 ARG N N 7 116.037 116.037 117.246 -1.209 25186
178 1 7 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.346 -0.092 25186
179 1 7 . 1 1 7 7 ARG CA C 7 56.622 56.622 55.221 1.401 25186
180 1 7 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.512 0.219 25186
181 1 7 . 1 1 7 7 ARG H H 7 8.528 8.528 8.065 0.463 25186
182 1 7 . 1 1 8 8 CYS N N 8 120.399 120.399 119.920 0.479 25186
183 1 7 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.155 0.208 25186
184 1 7 . 1 1 8 8 CYS CA C 8 55.565 55.565 60.769 -5.204 25186
185 1 7 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.357 13.218 25186
186 1 7 . 1 1 8 8 CYS H H 8 7.957 7.957 7.397 0.560 25186
187 1 7 . 1 1 9 9 ARG N N 9 125.480 125.480 124.398 1.082 25186
188 1 7 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.194 -0.119 25186
189 1 7 . 1 1 9 9 ARG CA C 9 57.743 57.743 57.777 -0.034 25186
190 1 7 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.367 -0.446 25186
191 1 7 . 1 1 9 9 ARG H H 9 8.552 8.552 8.870 -0.318 25186
192 1 7 . 1 1 10 10 TYR N N 10 117.831 117.831 116.487 1.344 25186
193 1 7 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.768 0.003 25186
194 1 7 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.142 -0.359 25186
195 1 7 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.731 -0.364 25186
196 1 7 . 1 1 10 10 TYR H H 10 7.339 7.339 7.399 -0.060 25186
197 1 8 . 1 1 5 5 ASP N N 5 124.617 124.617 124.920 -0.303 25186
198 1 8 . 1 1 5 5 ASP HA H 5 5.091 5.091 5.018 0.073 25186
199 1 8 . 1 1 5 5 ASP CA C 5 50.787 50.787 51.743 -0.956 25186
200 1 8 . 1 1 5 5 ASP CB C 5 42.222 42.222 42.334 -0.112 25186
201 1 8 . 1 1 5 5 ASP H H 5 8.296 8.296 8.185 0.111 25186
202 1 8 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.339 0.018 25186
203 1 8 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.100 0.575 25186
204 1 8 . 1 1 6 6 PRO CB C 6 32.325 32.325 32.233 0.092 25186
205 1 8 . 1 1 7 7 ARG N N 7 116.037 116.037 117.686 -1.649 25186
206 1 8 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.301 -0.047 25186
207 1 8 . 1 1 7 7 ARG CA C 7 56.622 56.622 55.947 0.675 25186
208 1 8 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.384 0.347 25186
209 1 8 . 1 1 7 7 ARG H H 7 8.528 8.528 7.963 0.565 25186
210 1 8 . 1 1 8 8 CYS N N 8 120.399 120.399 119.517 0.882 25186
211 1 8 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.253 0.110 25186
212 1 8 . 1 1 8 8 CYS CA C 8 55.565 55.565 60.108 -4.543 25186
213 1 8 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.590 12.985 25186
214 1 8 . 1 1 8 8 CYS H H 8 7.957 7.957 8.213 -0.256 25186
215 1 8 . 1 1 9 9 ARG N N 9 125.480 125.480 124.811 0.669 25186
216 1 8 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.151 -0.076 25186
217 1 8 . 1 1 9 9 ARG CA C 9 57.743 57.743 58.223 -0.480 25186
218 1 8 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.751 -0.830 25186
219 1 8 . 1 1 9 9 ARG H H 9 8.552 8.552 8.903 -0.351 25186
220 1 8 . 1 1 10 10 TYR N N 10 117.831 117.831 116.028 1.803 25186
221 1 8 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.727 0.044 25186
222 1 8 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.345 -0.562 25186
223 1 8 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.736 -0.369 25186
224 1 8 . 1 1 10 10 TYR H H 10 7.339 7.339 7.566 -0.227 25186
225 1 9 . 1 1 5 5 ASP N N 5 124.617 124.617 125.243 -0.626 25186
226 1 9 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.888 0.203 25186
227 1 9 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.138 -1.351 25186
228 1 9 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.742 0.480 25186
229 1 9 . 1 1 5 5 ASP H H 5 8.296 8.296 8.377 -0.081 25186
230 1 9 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.346 0.011 25186
231 1 9 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.488 0.187 25186
232 1 9 . 1 1 6 6 PRO CB C 6 32.325 32.325 31.903 0.422 25186
233 1 9 . 1 1 7 7 ARG N N 7 116.037 116.037 116.454 -0.417 25186
234 1 9 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.371 -0.117 25186
235 1 9 . 1 1 7 7 ARG CA C 7 56.622 56.622 55.463 1.159 25186
236 1 9 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.373 0.358 25186
237 1 9 . 1 1 7 7 ARG H H 7 8.528 8.528 8.111 0.417 25186
238 1 9 . 1 1 8 8 CYS N N 8 120.399 120.399 119.567 0.832 25186
239 1 9 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.230 0.133 25186
240 1 9 . 1 1 8 8 CYS CA C 8 55.565 55.565 59.780 -4.215 25186
241 1 9 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.655 12.920 25186
242 1 9 . 1 1 8 8 CYS H H 8 7.957 7.957 7.610 0.347 25186
243 1 9 . 1 1 9 9 ARG N N 9 125.480 125.480 125.412 0.068 25186
244 1 9 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.150 -0.075 25186
245 1 9 . 1 1 9 9 ARG CA C 9 57.743 57.743 58.215 -0.472 25186
246 1 9 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.783 -0.862 25186
247 1 9 . 1 1 9 9 ARG H H 9 8.552 8.552 8.935 -0.383 25186
248 1 9 . 1 1 10 10 TYR N N 10 117.831 117.831 115.913 1.918 25186
249 1 9 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.781 -0.010 25186
250 1 9 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.285 -0.502 25186
251 1 9 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.713 -0.346 25186
252 1 9 . 1 1 10 10 TYR H H 10 7.339 7.339 7.585 -0.246 25186
253 1 10 . 1 1 5 5 ASP N N 5 124.617 124.617 124.594 0.023 25186
254 1 10 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.971 0.120 25186
255 1 10 . 1 1 5 5 ASP CA C 5 50.787 50.787 53.194 -2.407 25186
256 1 10 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.277 0.945 25186
257 1 10 . 1 1 5 5 ASP H H 5 8.296 8.296 8.123 0.173 25186
258 1 10 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.333 0.024 25186
259 1 10 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.654 0.021 25186
260 1 10 . 1 1 6 6 PRO CB C 6 32.325 32.325 32.054 0.271 25186
261 1 10 . 1 1 7 7 ARG N N 7 116.037 116.037 117.120 -1.083 25186
262 1 10 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.388 -0.134 25186
263 1 10 . 1 1 7 7 ARG CA C 7 56.622 56.622 55.382 1.240 25186
264 1 10 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.655 0.076 25186
265 1 10 . 1 1 7 7 ARG H H 7 8.528 8.528 8.097 0.431 25186
266 1 10 . 1 1 8 8 CYS N N 8 120.399 120.399 119.035 1.364 25186
267 1 10 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.238 0.125 25186
268 1 10 . 1 1 8 8 CYS CA C 8 55.565 55.565 59.739 -4.174 25186
269 1 10 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.632 12.943 25186
270 1 10 . 1 1 8 8 CYS H H 8 7.957 7.957 7.539 0.418 25186
271 1 10 . 1 1 9 9 ARG N N 9 125.480 125.480 125.910 -0.430 25186
272 1 10 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.134 -0.059 25186
273 1 10 . 1 1 9 9 ARG CA C 9 57.743 57.743 57.905 -0.162 25186
274 1 10 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.497 -0.576 25186
275 1 10 . 1 1 9 9 ARG H H 9 8.552 8.552 8.830 -0.278 25186
276 1 10 . 1 1 10 10 TYR N N 10 117.831 117.831 116.877 0.954 25186
277 1 10 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.763 0.008 25186
278 1 10 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.377 -0.594 25186
279 1 10 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.602 -0.235 25186
280 1 10 . 1 1 10 10 TYR H H 10 7.339 7.339 7.190 0.149 25186
281 1 11 . 1 1 5 5 ASP N N 5 124.617 124.617 124.959 -0.342 25186
282 1 11 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.790 0.301 25186
283 1 11 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.744 -1.957 25186
284 1 11 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.270 0.952 25186
285 1 11 . 1 1 5 5 ASP H H 5 8.296 8.296 7.663 0.633 25186
286 1 11 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.411 -0.054 25186
287 1 11 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.249 0.426 25186
288 1 11 . 1 1 6 6 PRO CB C 6 32.325 32.325 31.993 0.332 25186
289 1 11 . 1 1 7 7 ARG N N 7 116.037 116.037 116.929 -0.892 25186
290 1 11 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.257 -0.003 25186
291 1 11 . 1 1 7 7 ARG CA C 7 56.622 56.622 55.692 0.930 25186
292 1 11 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.633 0.099 25186
293 1 11 . 1 1 7 7 ARG H H 7 8.528 8.528 8.226 0.302 25186
294 1 11 . 1 1 8 8 CYS N N 8 120.399 120.399 118.516 1.883 25186
295 1 11 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.202 0.161 25186
296 1 11 . 1 1 8 8 CYS CA C 8 55.565 55.565 60.468 -4.903 25186
297 1 11 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.335 13.240 25186
298 1 11 . 1 1 8 8 CYS H H 8 7.957 7.957 7.515 0.442 25186
299 1 11 . 1 1 9 9 ARG N N 9 125.480 125.480 124.492 0.988 25186
300 1 11 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.115 -0.040 25186
301 1 11 . 1 1 9 9 ARG CA C 9 57.743 57.743 58.421 -0.678 25186
302 1 11 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.716 -0.795 25186
303 1 11 . 1 1 9 9 ARG H H 9 8.552 8.552 8.790 -0.238 25186
304 1 11 . 1 1 10 10 TYR N N 10 117.831 117.831 115.818 2.013 25186
305 1 11 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.753 0.018 25186
306 1 11 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.085 -0.302 25186
307 1 11 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.811 -0.444 25186
308 1 11 . 1 1 10 10 TYR H H 10 7.339 7.339 7.441 -0.102 25186
309 1 12 . 1 1 5 5 ASP N N 5 124.617 124.617 123.719 0.898 25186
310 1 12 . 1 1 5 5 ASP HA H 5 5.091 5.091 5.025 0.066 25186
311 1 12 . 1 1 5 5 ASP CA C 5 50.787 50.787 51.793 -1.006 25186
312 1 12 . 1 1 5 5 ASP CB C 5 42.222 42.222 42.166 0.056 25186
313 1 12 . 1 1 5 5 ASP H H 5 8.296 8.296 7.739 0.557 25186
314 1 12 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.355 0.002 25186
315 1 12 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.226 0.449 25186
316 1 12 . 1 1 6 6 PRO CB C 6 32.325 32.325 31.982 0.343 25186
317 1 12 . 1 1 7 7 ARG N N 7 116.037 116.037 117.046 -1.009 25186
318 1 12 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.226 0.028 25186
319 1 12 . 1 1 7 7 ARG CA C 7 56.622 56.622 56.282 0.340 25186
320 1 12 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.651 0.080 25186
321 1 12 . 1 1 7 7 ARG H H 7 8.528 8.528 8.100 0.428 25186
322 1 12 . 1 1 8 8 CYS N N 8 120.399 120.399 118.785 1.614 25186
323 1 12 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.275 0.088 25186
324 1 12 . 1 1 8 8 CYS CA C 8 55.565 55.565 59.658 -4.093 25186
325 1 12 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.778 12.797 25186
326 1 12 . 1 1 8 8 CYS H H 8 7.957 7.957 7.559 0.398 25186
327 1 12 . 1 1 9 9 ARG N N 9 125.480 125.480 122.761 2.719 25186
328 1 12 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.098 -0.023 25186
329 1 12 . 1 1 9 9 ARG CA C 9 57.743 57.743 58.432 -0.689 25186
330 1 12 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.559 -0.638 25186
331 1 12 . 1 1 9 9 ARG H H 9 8.552 8.552 8.672 -0.120 25186
332 1 12 . 1 1 10 10 TYR N N 10 117.831 117.831 116.581 1.250 25186
333 1 12 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.766 0.005 25186
334 1 12 . 1 1 10 10 TYR CA C 10 55.783 55.783 55.492 0.291 25186
335 1 12 . 1 1 10 10 TYR CB C 10 39.367 39.367 40.025 -0.658 25186
336 1 12 . 1 1 10 10 TYR H H 10 7.339 7.339 7.213 0.126 25186
337 1 13 . 1 1 5 5 ASP N N 5 124.617 124.617 125.784 -1.167 25186
338 1 13 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.852 0.239 25186
339 1 13 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.864 -2.077 25186
340 1 13 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.156 1.066 25186
341 1 13 . 1 1 5 5 ASP H H 5 8.296 8.296 7.749 0.547 25186
342 1 13 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.426 -0.069 25186
343 1 13 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.311 0.364 25186
344 1 13 . 1 1 6 6 PRO CB C 6 32.325 32.325 31.994 0.331 25186
345 1 13 . 1 1 7 7 ARG N N 7 116.037 116.037 116.966 -0.929 25186
346 1 13 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.234 0.020 25186
347 1 13 . 1 1 7 7 ARG CA C 7 56.622 56.622 55.991 0.631 25186
348 1 13 . 1 1 7 7 ARG CB C 7 29.731 29.731 30.000 -0.269 25186
349 1 13 . 1 1 7 7 ARG H H 7 8.528 8.528 8.175 0.353 25186
350 1 13 . 1 1 8 8 CYS N N 8 120.399 120.399 117.993 2.406 25186
351 1 13 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.174 0.189 25186
352 1 13 . 1 1 8 8 CYS CA C 8 55.565 55.565 60.465 -4.900 25186
353 1 13 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.338 13.236 25186
354 1 13 . 1 1 8 8 CYS H H 8 7.957 7.957 7.527 0.430 25186
355 1 13 . 1 1 9 9 ARG N N 9 125.480 125.480 124.194 1.286 25186
356 1 13 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.155 -0.080 25186
357 1 13 . 1 1 9 9 ARG CA C 9 57.743 57.743 58.070 -0.327 25186
358 1 13 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.558 -0.637 25186
359 1 13 . 1 1 9 9 ARG H H 9 8.552 8.552 8.822 -0.270 25186
360 1 13 . 1 1 10 10 TYR N N 10 117.831 117.831 116.514 1.317 25186
361 1 13 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.758 0.013 25186
362 1 13 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.134 -0.351 25186
363 1 13 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.754 -0.387 25186
364 1 13 . 1 1 10 10 TYR H H 10 7.339 7.339 7.489 -0.150 25186
365 1 14 . 1 1 5 5 ASP N N 5 124.617 124.617 124.847 -0.230 25186
366 1 14 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.762 0.329 25186
367 1 14 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.853 -2.066 25186
368 1 14 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.252 0.970 25186
369 1 14 . 1 1 5 5 ASP H H 5 8.296 8.296 8.041 0.255 25186
370 1 14 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.397 -0.040 25186
371 1 14 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.630 0.045 25186
372 1 14 . 1 1 6 6 PRO CB C 6 32.325 32.325 31.847 0.478 25186
373 1 14 . 1 1 7 7 ARG N N 7 116.037 116.037 115.967 0.070 25186
374 1 14 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.468 -0.214 25186
375 1 14 . 1 1 7 7 ARG CA C 7 56.622 56.622 54.398 2.224 25186
376 1 14 . 1 1 7 7 ARG CB C 7 29.731 29.731 28.878 0.853 25186
377 1 14 . 1 1 7 7 ARG H H 7 8.528 8.528 7.986 0.542 25186
378 1 14 . 1 1 8 8 CYS N N 8 120.399 120.399 119.689 0.710 25186
379 1 14 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.215 0.148 25186
380 1 14 . 1 1 8 8 CYS CA C 8 55.565 55.565 59.846 -4.281 25186
381 1 14 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.563 13.012 25186
382 1 14 . 1 1 8 8 CYS H H 8 7.957 7.957 7.539 0.418 25186
383 1 14 . 1 1 9 9 ARG N N 9 125.480 125.480 125.784 -0.304 25186
384 1 14 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.082 -0.007 25186
385 1 14 . 1 1 9 9 ARG CA C 9 57.743 57.743 58.410 -0.667 25186
386 1 14 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.637 -0.716 25186
387 1 14 . 1 1 9 9 ARG H H 9 8.552 8.552 8.759 -0.207 25186
388 1 14 . 1 1 10 10 TYR N N 10 117.831 117.831 116.377 1.454 25186
389 1 14 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.775 -0.004 25186
390 1 14 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.306 -0.523 25186
391 1 14 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.889 -0.522 25186
392 1 14 . 1 1 10 10 TYR H H 10 7.339 7.339 7.150 0.189 25186
393 1 15 . 1 1 5 5 ASP N N 5 124.617 124.617 126.396 -1.779 25186
394 1 15 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.947 0.144 25186
395 1 15 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.420 -1.633 25186
396 1 15 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.528 0.694 25186
397 1 15 . 1 1 5 5 ASP H H 5 8.296 8.296 7.741 0.555 25186
398 1 15 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.273 0.084 25186
399 1 15 . 1 1 6 6 PRO CA C 6 64.675 64.675 63.759 0.916 25186
400 1 15 . 1 1 6 6 PRO CB C 6 32.325 32.325 32.039 0.286 25186
401 1 15 . 1 1 7 7 ARG N N 7 116.037 116.037 117.196 -1.159 25186
402 1 15 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.272 -0.018 25186
403 1 15 . 1 1 7 7 ARG CA C 7 56.622 56.622 56.266 0.357 25186
404 1 15 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.595 0.136 25186
405 1 15 . 1 1 7 7 ARG H H 7 8.528 8.528 8.022 0.506 25186
406 1 15 . 1 1 8 8 CYS N N 8 120.399 120.399 120.115 0.284 25186
407 1 15 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.181 0.182 25186
408 1 15 . 1 1 8 8 CYS CA C 8 55.565 55.565 58.862 -3.297 25186
409 1 15 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.697 12.878 25186
410 1 15 . 1 1 8 8 CYS H H 8 7.957 7.957 7.551 0.406 25186
411 1 15 . 1 1 9 9 ARG N N 9 125.480 125.480 126.330 -0.850 25186
412 1 15 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.115 -0.040 25186
413 1 15 . 1 1 9 9 ARG CA C 9 57.743 57.743 57.185 0.557 25186
414 1 15 . 1 1 9 9 ARG CB C 9 29.921 29.921 29.497 0.424 25186
415 1 15 . 1 1 9 9 ARG H H 9 8.552 8.552 8.560 -0.008 25186
416 1 15 . 1 1 10 10 TYR N N 10 117.831 117.831 116.719 1.112 25186
417 1 15 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.785 -0.014 25186
418 1 15 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.030 -0.247 25186
419 1 15 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.824 -0.457 25186
420 1 15 . 1 1 10 10 TYR H H 10 7.339 7.339 7.024 0.315 25186
421 1 16 . 1 1 5 5 ASP N N 5 124.617 124.617 123.649 0.968 25186
422 1 16 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.817 0.274 25186
423 1 16 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.481 -1.694 25186
424 1 16 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.229 0.993 25186
425 1 16 . 1 1 5 5 ASP H H 5 8.296 8.296 7.991 0.305 25186
426 1 16 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.269 0.088 25186
427 1 16 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.149 0.526 25186
428 1 16 . 1 1 6 6 PRO CB C 6 32.325 32.325 31.985 0.340 25186
429 1 16 . 1 1 7 7 ARG N N 7 116.037 116.037 118.103 -2.066 25186
430 1 16 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.285 -0.031 25186
431 1 16 . 1 1 7 7 ARG CA C 7 56.622 56.622 56.705 -0.083 25186
432 1 16 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.926 -0.195 25186
433 1 16 . 1 1 7 7 ARG H H 7 8.528 8.528 7.863 0.665 25186
434 1 16 . 1 1 8 8 CYS N N 8 120.399 120.399 118.616 1.783 25186
435 1 16 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.235 0.128 25186
436 1 16 . 1 1 8 8 CYS CA C 8 55.565 55.565 60.709 -5.144 25186
437 1 16 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.587 12.988 25186
438 1 16 . 1 1 8 8 CYS H H 8 7.957 7.957 8.625 -0.668 25186
439 1 16 . 1 1 9 9 ARG N N 9 125.480 125.480 124.676 0.804 25186
440 1 16 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.188 -0.113 25186
441 1 16 . 1 1 9 9 ARG CA C 9 57.743 57.743 57.806 -0.063 25186
442 1 16 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.373 -0.452 25186
443 1 16 . 1 1 9 9 ARG H H 9 8.552 8.552 8.912 -0.360 25186
444 1 16 . 1 1 10 10 TYR N N 10 117.831 117.831 115.505 2.326 25186
445 1 16 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.810 -0.039 25186
446 1 16 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.301 -0.518 25186
447 1 16 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.620 -0.253 25186
448 1 16 . 1 1 10 10 TYR H H 10 7.339 7.339 7.391 -0.052 25186
449 1 17 . 1 1 5 5 ASP N N 5 124.617 124.617 124.735 -0.118 25186
450 1 17 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.801 0.290 25186
451 1 17 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.202 -1.415 25186
452 1 17 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.889 0.333 25186
453 1 17 . 1 1 5 5 ASP H H 5 8.296 8.296 7.782 0.514 25186
454 1 17 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.257 0.100 25186
455 1 17 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.206 0.469 25186
456 1 17 . 1 1 6 6 PRO CB C 6 32.325 32.325 32.007 0.318 25186
457 1 17 . 1 1 7 7 ARG N N 7 116.037 116.037 118.110 -2.073 25186
458 1 17 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.250 0.004 25186
459 1 17 . 1 1 7 7 ARG CA C 7 56.622 56.622 56.268 0.354 25186
460 1 17 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.807 -0.076 25186
461 1 17 . 1 1 7 7 ARG H H 7 8.528 8.528 7.959 0.569 25186
462 1 17 . 1 1 8 8 CYS N N 8 120.399 120.399 118.462 1.937 25186
463 1 17 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.144 0.219 25186
464 1 17 . 1 1 8 8 CYS CA C 8 55.565 55.565 60.629 -5.064 25186
465 1 17 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.662 12.913 25186
466 1 17 . 1 1 8 8 CYS H H 8 7.957 7.957 8.234 -0.277 25186
467 1 17 . 1 1 9 9 ARG N N 9 125.480 125.480 123.582 1.898 25186
468 1 17 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.148 -0.073 25186
469 1 17 . 1 1 9 9 ARG CA C 9 57.743 57.743 57.994 -0.251 25186
470 1 17 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.477 -0.556 25186
471 1 17 . 1 1 9 9 ARG H H 9 8.552 8.552 8.840 -0.288 25186
472 1 17 . 1 1 10 10 TYR N N 10 117.831 117.831 116.296 1.535 25186
473 1 17 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.804 -0.033 25186
474 1 17 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.074 -0.291 25186
475 1 17 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.587 -0.220 25186
476 1 17 . 1 1 10 10 TYR H H 10 7.339 7.339 7.439 -0.100 25186
477 1 18 . 1 1 5 5 ASP N N 5 124.617 124.617 124.228 0.389 25186
478 1 18 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.996 0.095 25186
479 1 18 . 1 1 5 5 ASP CA C 5 50.787 50.787 51.797 -1.010 25186
480 1 18 . 1 1 5 5 ASP CB C 5 42.222 42.222 43.050 -0.828 25186
481 1 18 . 1 1 5 5 ASP H H 5 8.296 8.296 8.030 0.266 25186
482 1 18 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.291 0.066 25186
483 1 18 . 1 1 6 6 PRO CA C 6 64.675 64.675 63.782 0.893 25186
484 1 18 . 1 1 6 6 PRO CB C 6 32.325 32.325 32.211 0.114 25186
485 1 18 . 1 1 7 7 ARG N N 7 116.037 116.037 117.423 -1.386 25186
486 1 18 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.248 0.006 25186
487 1 18 . 1 1 7 7 ARG CA C 7 56.622 56.622 56.622 -0.000 25186
488 1 18 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.632 0.099 25186
489 1 18 . 1 1 7 7 ARG H H 7 8.528 8.528 8.084 0.444 25186
490 1 18 . 1 1 8 8 CYS N N 8 120.399 120.399 120.305 0.094 25186
491 1 18 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.273 0.090 25186
492 1 18 . 1 1 8 8 CYS CA C 8 55.565 55.565 58.665 -3.100 25186
493 1 18 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.558 13.017 25186
494 1 18 . 1 1 8 8 CYS H H 8 7.957 7.957 7.624 0.333 25186
495 1 18 . 1 1 9 9 ARG N N 9 125.480 125.480 124.545 0.935 25186
496 1 18 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.076 -0.001 25186
497 1 18 . 1 1 9 9 ARG CA C 9 57.743 57.743 57.946 -0.203 25186
498 1 18 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.410 -0.489 25186
499 1 18 . 1 1 9 9 ARG H H 9 8.552 8.552 8.460 0.092 25186
500 1 18 . 1 1 10 10 TYR N N 10 117.831 117.831 117.701 0.130 25186
501 1 18 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.747 0.024 25186
502 1 18 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.256 -0.473 25186
503 1 18 . 1 1 10 10 TYR CB C 10 39.367 39.367 40.038 -0.670 25186
504 1 18 . 1 1 10 10 TYR H H 10 7.339 7.339 7.002 0.337 25186
505 1 19 . 1 1 5 5 ASP N N 5 124.617 124.617 124.190 0.427 25186
506 1 19 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.893 0.198 25186
507 1 19 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.698 -1.911 25186
508 1 19 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.783 0.439 25186
509 1 19 . 1 1 5 5 ASP H H 5 8.296 8.296 8.230 0.066 25186
510 1 19 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.355 0.002 25186
511 1 19 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.502 0.173 25186
512 1 19 . 1 1 6 6 PRO CB C 6 32.325 32.325 31.741 0.584 25186
513 1 19 . 1 1 7 7 ARG N N 7 116.037 116.037 116.267 -0.230 25186
514 1 19 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.332 -0.078 25186
515 1 19 . 1 1 7 7 ARG CA C 7 56.622 56.622 55.639 0.983 25186
516 1 19 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.468 0.263 25186
517 1 19 . 1 1 7 7 ARG H H 7 8.528 8.528 8.007 0.521 25186
518 1 19 . 1 1 8 8 CYS N N 8 120.399 120.399 118.771 1.628 25186
519 1 19 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.164 0.199 25186
520 1 19 . 1 1 8 8 CYS CA C 8 55.565 55.565 61.164 -5.599 25186
521 1 19 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.603 12.972 25186
522 1 19 . 1 1 8 8 CYS H H 8 7.957 7.957 7.630 0.327 25186
523 1 19 . 1 1 9 9 ARG N N 9 125.480 125.480 122.869 2.611 25186
524 1 19 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.141 -0.066 25186
525 1 19 . 1 1 9 9 ARG CA C 9 57.743 57.743 57.982 -0.239 25186
526 1 19 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.605 -0.684 25186
527 1 19 . 1 1 9 9 ARG H H 9 8.552 8.552 8.805 -0.253 25186
528 1 19 . 1 1 10 10 TYR N N 10 117.831 117.831 114.808 3.023 25186
529 1 19 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.711 0.060 25186
530 1 19 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.104 -0.321 25186
531 1 19 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.267 0.100 25186
532 1 19 . 1 1 10 10 TYR H H 10 7.339 7.339 7.355 -0.016 25186
533 1 20 . 1 1 5 5 ASP N N 5 124.617 124.617 124.458 0.159 25186
534 1 20 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.916 0.175 25186
535 1 20 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.752 -1.965 25186
536 1 20 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.445 0.777 25186
537 1 20 . 1 1 5 5 ASP H H 5 8.296 8.296 7.590 0.706 25186
538 1 20 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.265 0.092 25186
539 1 20 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.282 0.393 25186
540 1 20 . 1 1 6 6 PRO CB C 6 32.325 32.325 32.126 0.199 25186
541 1 20 . 1 1 7 7 ARG N N 7 116.037 116.037 116.482 -0.445 25186
542 1 20 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.173 0.081 25186
543 1 20 . 1 1 7 7 ARG CA C 7 56.622 56.622 57.130 -0.508 25186
544 1 20 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.188 0.543 25186
545 1 20 . 1 1 7 7 ARG H H 7 8.528 8.528 8.171 0.357 25186
546 1 20 . 1 1 8 8 CYS N N 8 120.399 120.399 120.412 -0.013 25186
547 1 20 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.377 -0.014 25186
548 1 20 . 1 1 8 8 CYS CA C 8 55.565 55.565 59.716 -4.151 25186
549 1 20 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.646 12.929 25186
550 1 20 . 1 1 8 8 CYS H H 8 7.957 7.957 7.674 0.283 25186
551 1 20 . 1 1 9 9 ARG N N 9 125.480 125.480 124.378 1.102 25186
552 1 20 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.108 -0.033 25186
553 1 20 . 1 1 9 9 ARG CA C 9 57.743 57.743 57.425 0.318 25186
554 1 20 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.477 -0.556 25186
555 1 20 . 1 1 9 9 ARG H H 9 8.552 8.552 8.672 -0.120 25186
556 1 20 . 1 1 10 10 TYR N N 10 117.831 117.831 114.522 3.309 25186
557 1 20 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.829 -0.058 25186
558 1 20 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.081 -0.298 25186
559 1 20 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.620 -0.253 25186
560 1 20 . 1 1 10 10 TYR H H 10 7.339 7.339 7.191 0.148 25186
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 5 1.267 -0.615 1.238 25186
2 1 1 "Average Difference" HA 6 0.121 -0.044 0.124 25186
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25186
4 1 1 "Average Difference" CA 6 2.237 1.060 2.158 25186
5 1 1 "Average Difference" CB 6 5.397 -2.278 5.360 25186
6 1 1 "Average Difference" HN 5 0.405 -0.208 0.389 25186
7 1 2 "Average Difference" N 5 0.884 -0.147 0.975 25186
8 1 2 "Average Difference" HA 6 0.146 -0.031 0.157 25186
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25186
10 1 2 "Average Difference" CA 6 2.181 0.971 2.139 25186
11 1 2 "Average Difference" CB 6 5.369 -2.155 5.388 25186
12 1 2 "Average Difference" HN 5 0.287 -0.164 0.264 25186
13 1 3 "Average Difference" N 5 1.783 -1.259 1.412 25186
14 1 3 "Average Difference" HA 6 0.057 -0.034 0.051 25186
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25186
16 1 3 "Average Difference" CA 6 1.716 0.913 1.592 25186
17 1 3 "Average Difference" CB 6 5.237 -1.968 5.316 25186
18 1 3 "Average Difference" HN 5 0.377 -0.289 0.271 25186
19 1 4 "Average Difference" N 5 1.501 -0.179 1.666 25186
20 1 4 "Average Difference" HA 6 0.139 -0.046 0.143 25186
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25186
22 1 4 "Average Difference" CA 6 1.939 0.885 1.890 25186
23 1 4 "Average Difference" CB 6 5.526 -2.165 5.569 25186
24 1 4 "Average Difference" HN 5 0.363 -0.188 0.347 25186
25 1 5 "Average Difference" N 5 1.588 -0.330 1.737 25186
26 1 5 "Average Difference" HA 6 0.099 -0.035 0.102 25186
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25186
28 1 5 "Average Difference" CA 6 2.219 0.819 2.260 25186
29 1 5 "Average Difference" CB 6 5.154 -2.153 5.130 25186
30 1 5 "Average Difference" HN 5 0.341 0.037 0.379 25186
31 1 6 "Average Difference" N 5 1.096 0.065 1.223 25186
32 1 6 "Average Difference" HA 6 0.105 -0.018 0.113 25186
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25186
34 1 6 "Average Difference" CA 6 1.852 0.691 1.882 25186
35 1 6 "Average Difference" CB 6 5.417 -2.126 5.458 25186
36 1 6 "Average Difference" HN 5 0.376 -0.223 0.339 25186
37 1 7 "Average Difference" N 5 1.341 0.076 1.496 25186
38 1 7 "Average Difference" HA 6 0.145 -0.047 0.150 25186
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25186
40 1 7 "Average Difference" CA 6 2.332 0.937 2.339 25186
41 1 7 "Average Difference" CB 6 5.416 -2.319 5.361 25186
42 1 7 "Average Difference" HN 5 0.419 -0.228 0.393 25186
43 1 8 "Average Difference" N 5 1.207 -0.280 1.313 25186
44 1 8 "Average Difference" HA 6 0.068 -0.020 0.071 25186
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25186
46 1 8 "Average Difference" CA 6 1.953 0.882 1.909 25186
47 1 8 "Average Difference" CB 6 5.316 -2.019 5.387 25186
48 1 8 "Average Difference" HN 5 0.338 0.032 0.377 25186
49 1 9 "Average Difference" N 5 0.994 -0.355 1.038 25186
50 1 9 "Average Difference" HA 6 0.114 -0.024 0.122 25186
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25186
52 1 9 "Average Difference" CA 6 1.890 0.866 1.841 25186
53 1 9 "Average Difference" CB 6 5.297 -2.162 5.297 25186
54 1 9 "Average Difference" HN 5 0.319 -0.011 0.356 25186
55 1 10 "Average Difference" N 5 0.909 -0.166 0.999 25186
56 1 10 "Average Difference" HA 6 0.093 -0.014 0.101 25186
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25186
58 1 10 "Average Difference" CA 6 2.047 1.013 1.948 25186
59 1 10 "Average Difference" CB 6 5.305 -2.237 5.270 25186
60 1 10 "Average Difference" HN 5 0.313 -0.179 0.287 25186
61 1 11 "Average Difference" N 5 1.377 -0.730 1.306 25186
62 1 11 "Average Difference" HA 6 0.142 -0.064 0.139 25186
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25186
64 1 11 "Average Difference" CA 6 2.216 1.081 2.119 25186
65 1 11 "Average Difference" CB 6 5.434 -2.231 5.428 25186
66 1 11 "Average Difference" HN 5 0.389 -0.207 0.367 25186
67 1 12 "Average Difference" N 5 1.636 -1.094 1.360 25186
68 1 12 "Average Difference" HA 6 0.048 -0.028 0.042 25186
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25186
70 1 12 "Average Difference" CA 6 1.763 0.784 1.729 25186
71 1 12 "Average Difference" CB 6 5.240 -1.997 5.307 25186
72 1 12 "Average Difference" HN 5 0.370 -0.278 0.272 25186
73 1 13 "Average Difference" N 5 1.510 -0.583 1.558 25186
74 1 13 "Average Difference" HA 6 0.132 -0.052 0.133 25186
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25186
76 1 13 "Average Difference" CA 6 2.202 1.110 2.083 25186
77 1 13 "Average Difference" CB 6 5.433 -2.223 5.430 25186
78 1 13 "Average Difference" HN 5 0.375 -0.182 0.367 25186
79 1 14 "Average Difference" N 5 0.744 -0.340 0.740 25186
80 1 14 "Average Difference" HA 6 0.172 -0.035 0.184 25186
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25186
82 1 14 "Average Difference" CA 6 2.170 0.878 2.174 25186
83 1 14 "Average Difference" CB 6 5.354 -2.346 5.272 25186
84 1 14 "Average Difference" HN 5 0.350 -0.240 0.285 25186
85 1 15 "Average Difference" N 5 1.144 0.478 1.162 25186
86 1 15 "Average Difference" HA 6 0.103 -0.056 0.094 25186
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25186
88 1 15 "Average Difference" CA 6 1.574 0.558 1.613 25186
89 1 15 "Average Difference" CB 6 5.273 -2.327 5.183 25186
90 1 15 "Average Difference" HN 5 0.407 -0.355 0.223 25186
91 1 16 "Average Difference" N 5 1.699 -0.763 1.698 25186
92 1 16 "Average Difference" HA 6 0.138 -0.051 0.141 25186
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25186
94 1 16 "Average Difference" CA 6 2.232 1.163 2.087 25186
95 1 16 "Average Difference" CB 6 5.324 -2.237 5.293 25186
96 1 16 "Average Difference" HN 5 0.472 0.022 0.527 25186
97 1 17 "Average Difference" N 5 1.675 -0.636 1.732 25186
98 1 17 "Average Difference" HA 6 0.157 -0.084 0.145 25186
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25186
100 1 17 "Average Difference" CA 6 2.166 1.033 2.085 25186
101 1 17 "Average Difference" CB 6 5.281 -2.119 5.299 25186
102 1 17 "Average Difference" HN 5 0.389 -0.084 0.425 25186
103 1 18 "Average Difference" N 5 0.771 -0.032 0.861 25186
104 1 18 "Average Difference" HA 6 0.061 -0.047 0.043 25186
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25186
106 1 18 "Average Difference" CA 6 1.396 0.649 1.354 25186
107 1 18 "Average Difference" CB 6 5.336 -1.874 5.473 25186
108 1 18 "Average Difference" HN 5 0.316 -0.294 0.130 25186
109 1 19 "Average Difference" N 5 1.941 -1.492 1.389 25186
110 1 19 "Average Difference" HA 6 0.125 -0.052 0.124 25186
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25186
112 1 19 "Average Difference" CA 6 2.455 1.152 2.374 25186
113 1 19 "Average Difference" CB 6 5.313 -2.279 5.257 25186
114 1 19 "Average Difference" HN 5 0.299 -0.129 0.302 25186
115 1 20 "Average Difference" N 5 1.574 -0.822 1.500 25186
116 1 20 "Average Difference" HA 6 0.092 -0.041 0.090 25186
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25186
118 1 20 "Average Difference" CA 6 1.902 1.035 1.747 25186
119 1 20 "Average Difference" CB 6 5.299 -2.273 5.243 25186
120 1 20 "Average Difference" HN 5 0.385 -0.275 0.302 25186
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 25186
_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 5 5 ASP N N 5 124.617 124.617 124.811 -0.194 25186
2 1 . 1 1 5 5 ASP HA H 5 5.091 5.091 4.901 0.190 25186
3 1 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.383 -1.596 25186
4 1 . 1 1 5 5 ASP CB C 5 42.222 42.222 41.739 0.483 25186
5 1 . 1 1 5 5 ASP H H 5 8.296 8.296 7.949 0.347 25186
6 1 . 1 1 6 6 PRO HA H 6 4.357 4.357 4.337 0.020 25186
7 1 . 1 1 6 6 PRO CA C 6 64.675 64.675 64.271 0.404 25186
8 1 . 1 1 6 6 PRO CB C 6 32.325 32.325 32.026 0.299 25186
9 1 . 1 1 7 7 ARG N N 7 116.037 116.037 117.190 -1.153 25186
10 1 . 1 1 7 7 ARG HA H 7 4.254 4.254 4.296 -0.042 25186
11 1 . 1 1 7 7 ARG CA C 7 56.622 56.622 55.865 0.757 25186
12 1 . 1 1 7 7 ARG CB C 7 29.731 29.731 29.556 0.175 25186
13 1 . 1 1 7 7 ARG H H 7 8.528 8.528 8.081 0.447 25186
14 1 . 1 1 8 8 CYS N N 8 120.399 120.399 119.197 1.202 25186
15 1 . 1 1 8 8 CYS HA H 8 4.363 4.363 4.218 0.145 25186
16 1 . 1 1 8 8 CYS CA C 8 55.565 55.565 60.069 -4.504 25186
17 1 . 1 1 8 8 CYS CB C 8 40.575 40.575 27.555 13.020 25186
18 1 . 1 1 8 8 CYS H H 8 7.957 7.957 7.708 0.249 25186
19 1 . 1 1 9 9 ARG N N 9 125.480 125.480 124.606 0.874 25186
20 1 . 1 1 9 9 ARG HA H 9 4.075 4.075 4.132 -0.057 25186
21 1 . 1 1 9 9 ARG CA C 9 57.743 57.743 58.019 -0.276 25186
22 1 . 1 1 9 9 ARG CB C 9 29.921 29.921 30.489 -0.568 25186
23 1 . 1 1 9 9 ARG H H 9 8.552 8.552 8.777 -0.225 25186
24 1 . 1 1 10 10 TYR N N 10 117.831 117.831 116.258 1.573 25186
25 1 . 1 1 10 10 TYR HA H 10 4.771 4.771 4.780 -0.009 25186
26 1 . 1 1 10 10 TYR CA C 10 55.783 55.783 56.112 -0.329 25186
27 1 . 1 1 10 10 TYR CB C 10 39.367 39.367 39.731 -0.364 25186
28 1 . 1 1 10 10 TYR H H 10 7.339 7.339 7.297 0.042 25186
stop_
save_