data_25187
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25187
_Entry.PDB_ID 2MTU
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 25187
_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 5 122.727 122.727 125.542 -2.815 25187
2 1 1 . 1 1 5 5 ASP HA H 5 5.079 5.079 4.928 0.151 25187
3 1 1 . 1 1 5 5 ASP CA C 5 51.108 51.108 52.212 -1.104 25187
4 1 1 . 1 1 5 5 ASP CB C 5 41.109 41.109 41.502 -0.393 25187
5 1 1 . 1 1 5 5 ASP H H 5 8.207 8.207 7.987 0.220 25187
6 1 1 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.344 -0.024 25187
7 1 1 . 1 1 6 6 PRO CA C 6 64.870 64.870 63.880 0.990 25187
8 1 1 . 1 1 6 6 PRO CB C 6 32.239 32.239 32.265 -0.026 25187
9 1 1 . 1 1 7 7 ARG N N 7 115.372 115.372 117.804 -2.432 25187
10 1 1 . 1 1 7 7 ARG HA H 7 4.226 4.226 4.344 -0.118 25187
11 1 1 . 1 1 7 7 ARG CA C 7 56.447 56.447 55.730 0.717 25187
12 1 1 . 1 1 7 7 ARG H H 7 8.513 8.513 8.062 0.451 25187
13 1 1 . 1 1 8 8 CYS N N 8 119.438 119.438 120.197 -0.759 25187
14 1 1 . 1 1 8 8 CYS HA H 8 4.503 4.503 4.566 -0.063 25187
15 1 1 . 1 1 8 8 CYS CA C 8 55.250 55.250 58.556 -3.306 25187
16 1 1 . 1 1 8 8 CYS CB C 8 40.851 40.851 28.477 12.374 25187
17 1 1 . 1 1 8 8 CYS H H 8 7.956 7.956 7.677 0.279 25187
18 1 1 . 1 1 9 9 ARG N N 9 125.001 125.001 123.962 1.039 25187
19 1 1 . 1 1 9 9 ARG HA H 9 4.106 4.106 4.102 0.004 25187
20 1 1 . 1 1 9 9 ARG CA C 9 57.636 57.636 58.279 -0.643 25187
21 1 1 . 1 1 9 9 ARG CB C 9 29.950 29.950 30.337 -0.387 25187
22 1 1 . 1 1 9 9 ARG H H 9 8.620 8.620 8.507 0.113 25187
23 1 1 . 1 1 10 10 TYR N N 10 117.792 117.792 119.962 -2.170 25187
24 1 1 . 1 1 10 10 TYR HA H 10 4.729 4.729 4.529 0.200 25187
25 1 1 . 1 1 10 10 TYR CA C 10 56.524 56.524 57.807 -1.284 25187
26 1 1 . 1 1 10 10 TYR CB C 10 39.234 39.234 39.255 -0.021 25187
27 1 1 . 1 1 10 10 TYR H H 10 7.427 7.427 8.171 -0.744 25187
28 1 2 . 1 1 5 5 ASP N N 5 122.727 122.727 126.499 -3.772 25187
29 1 2 . 1 1 5 5 ASP HA H 5 5.079 5.079 5.088 -0.009 25187
30 1 2 . 1 1 5 5 ASP CA C 5 51.108 51.108 51.986 -0.878 25187
31 1 2 . 1 1 5 5 ASP CB C 5 41.109 41.109 42.100 -0.991 25187
32 1 2 . 1 1 5 5 ASP H H 5 8.207 8.207 8.000 0.207 25187
33 1 2 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.397 -0.077 25187
34 1 2 . 1 1 6 6 PRO CA C 6 64.870 64.870 64.076 0.794 25187
35 1 2 . 1 1 6 6 PRO CB C 6 32.239 32.239 32.357 -0.118 25187
36 1 2 . 1 1 7 7 ARG N N 7 115.372 115.372 117.365 -1.993 25187
37 1 2 . 1 1 7 7 ARG HA H 7 4.226 4.226 4.297 -0.071 25187
38 1 2 . 1 1 7 7 ARG CA C 7 56.447 56.447 55.918 0.529 25187
39 1 2 . 1 1 7 7 ARG H H 7 8.513 8.513 8.096 0.417 25187
40 1 2 . 1 1 8 8 CYS N N 8 119.438 119.438 121.725 -2.287 25187
41 1 2 . 1 1 8 8 CYS HA H 8 4.503 4.503 4.478 0.025 25187
42 1 2 . 1 1 8 8 CYS CA C 8 55.250 55.250 58.500 -3.250 25187
43 1 2 . 1 1 8 8 CYS CB C 8 40.851 40.851 28.422 12.429 25187
44 1 2 . 1 1 8 8 CYS H H 8 7.956 7.956 7.642 0.314 25187
45 1 2 . 1 1 9 9 ARG N N 9 125.001 125.001 126.004 -1.003 25187
46 1 2 . 1 1 9 9 ARG HA H 9 4.106 4.106 4.072 0.034 25187
47 1 2 . 1 1 9 9 ARG CA C 9 57.636 57.636 58.021 -0.385 25187
48 1 2 . 1 1 9 9 ARG CB C 9 29.950 29.950 30.503 -0.553 25187
49 1 2 . 1 1 9 9 ARG H H 9 8.620 8.620 8.529 0.091 25187
50 1 2 . 1 1 10 10 TYR N N 10 117.792 117.792 120.988 -3.196 25187
51 1 2 . 1 1 10 10 TYR HA H 10 4.729 4.729 4.409 0.320 25187
52 1 2 . 1 1 10 10 TYR CA C 10 56.524 56.524 58.658 -2.134 25187
53 1 2 . 1 1 10 10 TYR CB C 10 39.234 39.234 39.101 0.133 25187
54 1 2 . 1 1 10 10 TYR H H 10 7.427 7.427 7.649 -0.222 25187
55 1 3 . 1 1 5 5 ASP N N 5 122.727 122.727 125.834 -3.107 25187
56 1 3 . 1 1 5 5 ASP HA H 5 5.079 5.079 5.003 0.076 25187
57 1 3 . 1 1 5 5 ASP CA C 5 51.108 51.108 51.982 -0.874 25187
58 1 3 . 1 1 5 5 ASP CB C 5 41.109 41.109 42.009 -0.900 25187
59 1 3 . 1 1 5 5 ASP H H 5 8.207 8.207 7.910 0.297 25187
60 1 3 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.362 -0.042 25187
61 1 3 . 1 1 6 6 PRO CA C 6 64.870 64.870 63.906 0.964 25187
62 1 3 . 1 1 6 6 PRO CB C 6 32.239 32.239 32.359 -0.120 25187
63 1 3 . 1 1 7 7 ARG N N 7 115.372 115.372 117.019 -1.647 25187
64 1 3 . 1 1 7 7 ARG HA H 7 4.226 4.226 4.335 -0.109 25187
65 1 3 . 1 1 7 7 ARG CA C 7 56.447 56.447 55.781 0.666 25187
66 1 3 . 1 1 7 7 ARG H H 7 8.513 8.513 8.100 0.413 25187
67 1 3 . 1 1 8 8 CYS N N 8 119.438 119.438 122.017 -2.579 25187
68 1 3 . 1 1 8 8 CYS HA H 8 4.503 4.503 4.491 0.012 25187
69 1 3 . 1 1 8 8 CYS CA C 8 55.250 55.250 58.711 -3.461 25187
70 1 3 . 1 1 8 8 CYS CB C 8 40.851 40.851 28.526 12.325 25187
71 1 3 . 1 1 8 8 CYS H H 8 7.956 7.956 7.638 0.318 25187
72 1 3 . 1 1 9 9 ARG N N 9 125.001 125.001 126.338 -1.337 25187
73 1 3 . 1 1 9 9 ARG HA H 9 4.106 4.106 4.077 0.029 25187
74 1 3 . 1 1 9 9 ARG CA C 9 57.636 57.636 58.063 -0.427 25187
75 1 3 . 1 1 9 9 ARG CB C 9 29.950 29.950 30.512 -0.562 25187
76 1 3 . 1 1 9 9 ARG H H 9 8.620 8.620 8.562 0.058 25187
77 1 3 . 1 1 10 10 TYR N N 10 117.792 117.792 120.850 -3.058 25187
78 1 3 . 1 1 10 10 TYR HA H 10 4.729 4.729 4.433 0.296 25187
79 1 3 . 1 1 10 10 TYR CA C 10 56.524 56.524 58.663 -2.139 25187
80 1 3 . 1 1 10 10 TYR CB C 10 39.234 39.234 39.110 0.124 25187
81 1 3 . 1 1 10 10 TYR H H 10 7.427 7.427 7.661 -0.234 25187
82 1 4 . 1 1 5 5 ASP N N 5 122.727 122.727 126.105 -3.378 25187
83 1 4 . 1 1 5 5 ASP HA H 5 5.079 5.079 5.089 -0.010 25187
84 1 4 . 1 1 5 5 ASP CA C 5 51.108 51.108 51.937 -0.829 25187
85 1 4 . 1 1 5 5 ASP CB C 5 41.109 41.109 41.950 -0.841 25187
86 1 4 . 1 1 5 5 ASP H H 5 8.207 8.207 8.270 -0.063 25187
87 1 4 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.380 -0.060 25187
88 1 4 . 1 1 6 6 PRO CA C 6 64.870 64.870 64.077 0.793 25187
89 1 4 . 1 1 6 6 PRO CB C 6 32.239 32.239 32.282 -0.043 25187
90 1 4 . 1 1 7 7 ARG N N 7 115.372 115.372 117.434 -2.062 25187
91 1 4 . 1 1 7 7 ARG HA H 7 4.226 4.226 4.320 -0.094 25187
92 1 4 . 1 1 7 7 ARG CA C 7 56.447 56.447 56.143 0.304 25187
93 1 4 . 1 1 7 7 ARG H H 7 8.513 8.513 8.054 0.459 25187
94 1 4 . 1 1 8 8 CYS N N 8 119.438 119.438 118.796 0.642 25187
95 1 4 . 1 1 8 8 CYS HA H 8 4.503 4.503 4.555 -0.052 25187
96 1 4 . 1 1 8 8 CYS CA C 8 55.250 55.250 58.076 -2.826 25187
97 1 4 . 1 1 8 8 CYS CB C 8 40.851 40.851 28.541 12.310 25187
98 1 4 . 1 1 8 8 CYS H H 8 7.956 7.956 7.609 0.347 25187
99 1 4 . 1 1 9 9 ARG N N 9 125.001 125.001 121.676 3.325 25187
100 1 4 . 1 1 9 9 ARG HA H 9 4.106 4.106 4.105 0.001 25187
101 1 4 . 1 1 9 9 ARG CA C 9 57.636 57.636 58.200 -0.564 25187
102 1 4 . 1 1 9 9 ARG CB C 9 29.950 29.950 30.553 -0.603 25187
103 1 4 . 1 1 9 9 ARG H H 9 8.620 8.620 8.701 -0.081 25187
104 1 4 . 1 1 10 10 TYR N N 10 117.792 117.792 120.389 -2.597 25187
105 1 4 . 1 1 10 10 TYR HA H 10 4.729 4.729 4.509 0.220 25187
106 1 4 . 1 1 10 10 TYR CA C 10 56.524 56.524 57.486 -0.962 25187
107 1 4 . 1 1 10 10 TYR CB C 10 39.234 39.234 40.373 -1.139 25187
108 1 4 . 1 1 10 10 TYR H H 10 7.427 7.427 7.944 -0.517 25187
109 1 5 . 1 1 5 5 ASP N N 5 122.727 122.727 124.507 -1.780 25187
110 1 5 . 1 1 5 5 ASP HA H 5 5.079 5.079 5.059 0.020 25187
111 1 5 . 1 1 5 5 ASP CA C 5 51.108 51.108 52.211 -1.103 25187
112 1 5 . 1 1 5 5 ASP CB C 5 41.109 41.109 44.183 -3.074 25187
113 1 5 . 1 1 5 5 ASP H H 5 8.207 8.207 7.895 0.312 25187
114 1 5 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.416 -0.096 25187
115 1 5 . 1 1 6 6 PRO CA C 6 64.870 64.870 64.266 0.604 25187
116 1 5 . 1 1 6 6 PRO CB C 6 32.239 32.239 32.216 0.023 25187
117 1 5 . 1 1 7 7 ARG N N 7 115.372 115.372 117.647 -2.275 25187
118 1 5 . 1 1 7 7 ARG HA H 7 4.226 4.226 4.294 -0.068 25187
119 1 5 . 1 1 7 7 ARG CA C 7 56.447 56.447 55.677 0.770 25187
120 1 5 . 1 1 7 7 ARG H H 7 8.513 8.513 8.263 0.250 25187
121 1 5 . 1 1 8 8 CYS N N 8 119.438 119.438 121.188 -1.750 25187
122 1 5 . 1 1 8 8 CYS HA H 8 4.503 4.503 4.337 0.166 25187
123 1 5 . 1 1 8 8 CYS CA C 8 55.250 55.250 59.477 -4.227 25187
124 1 5 . 1 1 8 8 CYS CB C 8 40.851 40.851 27.841 13.010 25187
125 1 5 . 1 1 8 8 CYS H H 8 7.956 7.956 8.091 -0.135 25187
126 1 5 . 1 1 9 9 ARG N N 9 125.001 125.001 126.732 -1.731 25187
127 1 5 . 1 1 9 9 ARG HA H 9 4.106 4.106 4.048 0.058 25187
128 1 5 . 1 1 9 9 ARG CA C 9 57.636 57.636 57.947 -0.311 25187
129 1 5 . 1 1 9 9 ARG CB C 9 29.950 29.950 30.141 -0.191 25187
130 1 5 . 1 1 9 9 ARG H H 9 8.620 8.620 8.721 -0.101 25187
131 1 5 . 1 1 10 10 TYR N N 10 117.792 117.792 122.172 -4.380 25187
132 1 5 . 1 1 10 10 TYR HA H 10 4.729 4.729 4.507 0.222 25187
133 1 5 . 1 1 10 10 TYR CA C 10 56.524 56.524 58.027 -1.503 25187
134 1 5 . 1 1 10 10 TYR CB C 10 39.234 39.234 38.970 0.264 25187
135 1 5 . 1 1 10 10 TYR H H 10 7.427 7.427 7.592 -0.165 25187
136 1 6 . 1 1 5 5 ASP N N 5 122.727 122.727 125.858 -3.131 25187
137 1 6 . 1 1 5 5 ASP HA H 5 5.079 5.079 5.055 0.024 25187
138 1 6 . 1 1 5 5 ASP CA C 5 51.108 51.108 51.979 -0.871 25187
139 1 6 . 1 1 5 5 ASP CB C 5 41.109 41.109 42.371 -1.262 25187
140 1 6 . 1 1 5 5 ASP H H 5 8.207 8.207 7.776 0.431 25187
141 1 6 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.363 -0.043 25187
142 1 6 . 1 1 6 6 PRO CA C 6 64.870 64.870 64.207 0.663 25187
143 1 6 . 1 1 6 6 PRO CB C 6 32.239 32.239 32.283 -0.044 25187
144 1 6 . 1 1 7 7 ARG N N 7 115.372 115.372 117.698 -2.326 25187
145 1 6 . 1 1 7 7 ARG HA H 7 4.226 4.226 4.349 -0.123 25187
146 1 6 . 1 1 7 7 ARG CA C 7 56.447 56.447 55.631 0.816 25187
147 1 6 . 1 1 7 7 ARG H H 7 8.513 8.513 8.094 0.419 25187
148 1 6 . 1 1 8 8 CYS N N 8 119.438 119.438 119.855 -0.417 25187
149 1 6 . 1 1 8 8 CYS HA H 8 4.503 4.503 4.277 0.226 25187
150 1 6 . 1 1 8 8 CYS CA C 8 55.250 55.250 60.011 -4.761 25187
151 1 6 . 1 1 8 8 CYS CB C 8 40.851 40.851 27.819 13.032 25187
152 1 6 . 1 1 8 8 CYS H H 8 7.956 7.956 7.518 0.438 25187
153 1 6 . 1 1 9 9 ARG N N 9 125.001 125.001 125.174 -0.173 25187
154 1 6 . 1 1 9 9 ARG HA H 9 4.106 4.106 4.095 0.011 25187
155 1 6 . 1 1 9 9 ARG CA C 9 57.636 57.636 58.139 -0.503 25187
156 1 6 . 1 1 9 9 ARG CB C 9 29.950 29.950 30.543 -0.593 25187
157 1 6 . 1 1 9 9 ARG H H 9 8.620 8.620 8.828 -0.208 25187
158 1 6 . 1 1 10 10 TYR N N 10 117.792 117.792 121.125 -3.333 25187
159 1 6 . 1 1 10 10 TYR HA H 10 4.729 4.729 4.520 0.209 25187
160 1 6 . 1 1 10 10 TYR CA C 10 56.524 56.524 57.557 -1.033 25187
161 1 6 . 1 1 10 10 TYR CB C 10 39.234 39.234 38.656 0.578 25187
162 1 6 . 1 1 10 10 TYR H H 10 7.427 7.427 7.574 -0.147 25187
163 1 7 . 1 1 5 5 ASP N N 5 122.727 122.727 124.679 -1.952 25187
164 1 7 . 1 1 5 5 ASP HA H 5 5.079 5.079 5.078 0.001 25187
165 1 7 . 1 1 5 5 ASP CA C 5 51.108 51.108 51.986 -0.878 25187
166 1 7 . 1 1 5 5 ASP CB C 5 41.109 41.109 41.939 -0.830 25187
167 1 7 . 1 1 5 5 ASP H H 5 8.207 8.207 7.953 0.254 25187
168 1 7 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.409 -0.089 25187
169 1 7 . 1 1 6 6 PRO CA C 6 64.870 64.870 64.078 0.792 25187
170 1 7 . 1 1 6 6 PRO CB C 6 32.239 32.239 32.436 -0.197 25187
171 1 7 . 1 1 7 7 ARG N N 7 115.372 115.372 117.061 -1.689 25187
172 1 7 . 1 1 7 7 ARG HA H 7 4.226 4.226 4.279 -0.053 25187
173 1 7 . 1 1 7 7 ARG CA C 7 56.447 56.447 55.894 0.553 25187
174 1 7 . 1 1 7 7 ARG H H 7 8.513 8.513 8.152 0.361 25187
175 1 7 . 1 1 8 8 CYS N N 8 119.438 119.438 121.007 -1.569 25187
176 1 7 . 1 1 8 8 CYS HA H 8 4.503 4.503 4.437 0.066 25187
177 1 7 . 1 1 8 8 CYS CA C 8 55.250 55.250 59.260 -4.010 25187
178 1 7 . 1 1 8 8 CYS CB C 8 40.851 40.851 27.852 12.999 25187
179 1 7 . 1 1 8 8 CYS H H 8 7.956 7.956 7.717 0.239 25187
180 1 7 . 1 1 9 9 ARG N N 9 125.001 125.001 127.290 -2.289 25187
181 1 7 . 1 1 9 9 ARG HA H 9 4.106 4.106 4.102 0.004 25187
182 1 7 . 1 1 9 9 ARG CA C 9 57.636 57.636 57.863 -0.227 25187
183 1 7 . 1 1 9 9 ARG CB C 9 29.950 29.950 30.234 -0.284 25187
184 1 7 . 1 1 9 9 ARG H H 9 8.620 8.620 8.554 0.066 25187
185 1 7 . 1 1 10 10 TYR N N 10 117.792 117.792 120.738 -2.946 25187
186 1 7 . 1 1 10 10 TYR HA H 10 4.729 4.729 4.467 0.262 25187
187 1 7 . 1 1 10 10 TYR CA C 10 56.524 56.524 58.670 -2.146 25187
188 1 7 . 1 1 10 10 TYR CB C 10 39.234 39.234 39.266 -0.032 25187
189 1 7 . 1 1 10 10 TYR H H 10 7.427 7.427 7.785 -0.358 25187
190 1 8 . 1 1 5 5 ASP N N 5 122.727 122.727 126.545 -3.818 25187
191 1 8 . 1 1 5 5 ASP HA H 5 5.079 5.079 5.162 -0.083 25187
192 1 8 . 1 1 5 5 ASP CA C 5 51.108 51.108 51.980 -0.872 25187
193 1 8 . 1 1 5 5 ASP CB C 5 41.109 41.109 42.139 -1.030 25187
194 1 8 . 1 1 5 5 ASP H H 5 8.207 8.207 7.783 0.424 25187
195 1 8 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.242 0.078 25187
196 1 8 . 1 1 6 6 PRO CA C 6 64.870 64.870 64.426 0.444 25187
197 1 8 . 1 1 6 6 PRO CB C 6 32.239 32.239 32.150 0.089 25187
198 1 8 . 1 1 7 7 ARG N N 7 115.372 115.372 116.036 -0.664 25187
199 1 8 . 1 1 7 7 ARG HA H 7 4.226 4.226 4.327 -0.101 25187
200 1 8 . 1 1 7 7 ARG CA C 7 56.447 56.447 55.059 1.388 25187
201 1 8 . 1 1 7 7 ARG H H 7 8.513 8.513 8.043 0.470 25187
202 1 8 . 1 1 8 8 CYS N N 8 119.438 119.438 121.497 -2.059 25187
203 1 8 . 1 1 8 8 CYS HA H 8 4.503 4.503 4.322 0.181 25187
204 1 8 . 1 1 8 8 CYS CA C 8 55.250 55.250 59.691 -4.441 25187
205 1 8 . 1 1 8 8 CYS CB C 8 40.851 40.851 27.946 12.905 25187
206 1 8 . 1 1 8 8 CYS H H 8 7.956 7.956 7.979 -0.023 25187
207 1 8 . 1 1 9 9 ARG N N 9 125.001 125.001 126.564 -1.563 25187
208 1 8 . 1 1 9 9 ARG HA H 9 4.106 4.106 4.039 0.067 25187
209 1 8 . 1 1 9 9 ARG CA C 9 57.636 57.636 58.000 -0.364 25187
210 1 8 . 1 1 9 9 ARG CB C 9 29.950 29.950 30.140 -0.190 25187
211 1 8 . 1 1 9 9 ARG H H 9 8.620 8.620 8.703 -0.083 25187
212 1 8 . 1 1 10 10 TYR N N 10 117.792 117.792 122.322 -4.530 25187
213 1 8 . 1 1 10 10 TYR HA H 10 4.729 4.729 4.440 0.289 25187
214 1 8 . 1 1 10 10 TYR CA C 10 56.524 56.524 58.311 -1.787 25187
215 1 8 . 1 1 10 10 TYR CB C 10 39.234 39.234 38.714 0.520 25187
216 1 8 . 1 1 10 10 TYR H H 10 7.427 7.427 7.628 -0.201 25187
217 1 9 . 1 1 5 5 ASP N N 5 122.727 122.727 125.198 -2.471 25187
218 1 9 . 1 1 5 5 ASP HA H 5 5.079 5.079 5.048 0.031 25187
219 1 9 . 1 1 5 5 ASP CA C 5 51.108 51.108 51.915 -0.807 25187
220 1 9 . 1 1 5 5 ASP CB C 5 41.109 41.109 42.070 -0.961 25187
221 1 9 . 1 1 5 5 ASP H H 5 8.207 8.207 8.108 0.099 25187
222 1 9 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.321 -0.001 25187
223 1 9 . 1 1 6 6 PRO CA C 6 64.870 64.870 63.967 0.903 25187
224 1 9 . 1 1 6 6 PRO CB C 6 32.239 32.239 32.427 -0.188 25187
225 1 9 . 1 1 7 7 ARG N N 7 115.372 115.372 116.478 -1.106 25187
226 1 9 . 1 1 7 7 ARG HA H 7 4.226 4.226 4.431 -0.205 25187
227 1 9 . 1 1 7 7 ARG CA C 7 56.447 56.447 55.975 0.472 25187
228 1 9 . 1 1 7 7 ARG H H 7 8.513 8.513 8.009 0.504 25187
229 1 9 . 1 1 8 8 CYS N N 8 119.438 119.438 119.602 -0.164 25187
230 1 9 . 1 1 8 8 CYS HA H 8 4.503 4.503 4.552 -0.049 25187
231 1 9 . 1 1 8 8 CYS CA C 8 55.250 55.250 58.721 -3.471 25187
232 1 9 . 1 1 8 8 CYS CB C 8 40.851 40.851 28.543 12.308 25187
233 1 9 . 1 1 8 8 CYS H H 8 7.956 7.956 7.551 0.406 25187
234 1 9 . 1 1 9 9 ARG N N 9 125.001 125.001 122.374 2.627 25187
235 1 9 . 1 1 9 9 ARG HA H 9 4.106 4.106 4.046 0.060 25187
236 1 9 . 1 1 9 9 ARG CA C 9 57.636 57.636 57.702 -0.066 25187
237 1 9 . 1 1 9 9 ARG CB C 9 29.950 29.950 30.130 -0.180 25187
238 1 9 . 1 1 9 9 ARG H H 9 8.620 8.620 8.552 0.068 25187
239 1 9 . 1 1 10 10 TYR N N 10 117.792 117.792 120.712 -2.920 25187
240 1 9 . 1 1 10 10 TYR HA H 10 4.729 4.729 4.567 0.162 25187
241 1 9 . 1 1 10 10 TYR CA C 10 56.524 56.524 57.498 -0.974 25187
242 1 9 . 1 1 10 10 TYR CB C 10 39.234 39.234 39.054 0.180 25187
243 1 9 . 1 1 10 10 TYR H H 10 7.427 7.427 8.013 -0.586 25187
244 1 10 . 1 1 5 5 ASP N N 5 122.727 122.727 124.842 -2.115 25187
245 1 10 . 1 1 5 5 ASP HA H 5 5.079 5.079 4.952 0.127 25187
246 1 10 . 1 1 5 5 ASP CA C 5 51.108 51.108 51.893 -0.785 25187
247 1 10 . 1 1 5 5 ASP CB C 5 41.109 41.109 41.677 -0.568 25187
248 1 10 . 1 1 5 5 ASP H H 5 8.207 8.207 8.021 0.186 25187
249 1 10 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.353 -0.033 25187
250 1 10 . 1 1 6 6 PRO CA C 6 64.870 64.870 64.119 0.751 25187
251 1 10 . 1 1 6 6 PRO CB C 6 32.239 32.239 32.228 0.011 25187
252 1 10 . 1 1 7 7 ARG N N 7 115.372 115.372 117.782 -2.410 25187
253 1 10 . 1 1 7 7 ARG HA H 7 4.226 4.226 4.304 -0.078 25187
254 1 10 . 1 1 7 7 ARG CA C 7 56.447 56.447 56.158 0.289 25187
255 1 10 . 1 1 7 7 ARG H H 7 8.513 8.513 8.028 0.485 25187
256 1 10 . 1 1 8 8 CYS N N 8 119.438 119.438 118.722 0.716 25187
257 1 10 . 1 1 8 8 CYS HA H 8 4.503 4.503 4.547 -0.044 25187
258 1 10 . 1 1 8 8 CYS CA C 8 55.250 55.250 58.860 -3.610 25187
259 1 10 . 1 1 8 8 CYS CB C 8 40.851 40.851 28.081 12.770 25187
260 1 10 . 1 1 8 8 CYS H H 8 7.956 7.956 7.584 0.372 25187
261 1 10 . 1 1 9 9 ARG N N 9 125.001 125.001 122.584 2.417 25187
262 1 10 . 1 1 9 9 ARG HA H 9 4.106 4.106 4.086 0.020 25187
263 1 10 . 1 1 9 9 ARG CA C 9 57.636 57.636 58.652 -1.016 25187
264 1 10 . 1 1 9 9 ARG CB C 9 29.950 29.950 30.586 -0.636 25187
265 1 10 . 1 1 9 9 ARG H H 9 8.620 8.620 8.767 -0.147 25187
266 1 10 . 1 1 10 10 TYR N N 10 117.792 117.792 118.946 -1.154 25187
267 1 10 . 1 1 10 10 TYR HA H 10 4.729 4.729 4.563 0.166 25187
268 1 10 . 1 1 10 10 TYR CA C 10 56.524 56.524 57.733 -1.209 25187
269 1 10 . 1 1 10 10 TYR CB C 10 39.234 39.234 38.873 0.361 25187
270 1 10 . 1 1 10 10 TYR H H 10 7.427 7.427 8.223 -0.796 25187
271 1 11 . 1 1 5 5 ASP N N 5 122.727 122.727 125.724 -2.997 25187
272 1 11 . 1 1 5 5 ASP HA H 5 5.079 5.079 4.965 0.114 25187
273 1 11 . 1 1 5 5 ASP CA C 5 51.108 51.108 51.997 -0.889 25187
274 1 11 . 1 1 5 5 ASP CB C 5 41.109 41.109 41.576 -0.467 25187
275 1 11 . 1 1 5 5 ASP H H 5 8.207 8.207 8.018 0.189 25187
276 1 11 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.352 -0.032 25187
277 1 11 . 1 1 6 6 PRO CA C 6 64.870 64.870 64.316 0.555 25187
278 1 11 . 1 1 6 6 PRO CB C 6 32.239 32.239 32.355 -0.116 25187
279 1 11 . 1 1 7 7 ARG N N 7 115.372 115.372 117.144 -1.772 25187
280 1 11 . 1 1 7 7 ARG HA H 7 4.226 4.226 4.296 -0.070 25187
281 1 11 . 1 1 7 7 ARG CA C 7 56.447 56.447 56.221 0.226 25187
282 1 11 . 1 1 7 7 ARG H H 7 8.513 8.513 8.270 0.243 25187
283 1 11 . 1 1 8 8 CYS N N 8 119.438 119.438 120.302 -0.864 25187
284 1 11 . 1 1 8 8 CYS HA H 8 4.503 4.503 4.581 -0.078 25187
285 1 11 . 1 1 8 8 CYS CA C 8 55.250 55.250 57.986 -2.736 25187
286 1 11 . 1 1 8 8 CYS CB C 8 40.851 40.851 29.180 11.671 25187
287 1 11 . 1 1 8 8 CYS H H 8 7.956 7.956 7.675 0.281 25187
288 1 11 . 1 1 9 9 ARG N N 9 125.001 125.001 123.858 1.143 25187
289 1 11 . 1 1 9 9 ARG HA H 9 4.106 4.106 4.072 0.034 25187
290 1 11 . 1 1 9 9 ARG CA C 9 57.636 57.636 58.405 -0.769 25187
291 1 11 . 1 1 9 9 ARG CB C 9 29.950 29.950 30.384 -0.434 25187
292 1 11 . 1 1 9 9 ARG H H 9 8.620 8.620 8.657 -0.037 25187
293 1 11 . 1 1 10 10 TYR N N 10 117.792 117.792 120.020 -2.228 25187
294 1 11 . 1 1 10 10 TYR HA H 10 4.729 4.729 4.556 0.173 25187
295 1 11 . 1 1 10 10 TYR CA C 10 56.524 56.524 57.800 -1.276 25187
296 1 11 . 1 1 10 10 TYR CB C 10 39.234 39.234 39.410 -0.176 25187
297 1 11 . 1 1 10 10 TYR H H 10 7.427 7.427 8.132 -0.705 25187
298 1 12 . 1 1 5 5 ASP N N 5 122.727 122.727 125.237 -2.510 25187
299 1 12 . 1 1 5 5 ASP HA H 5 5.079 5.079 4.950 0.129 25187
300 1 12 . 1 1 5 5 ASP CA C 5 51.108 51.108 52.101 -0.993 25187
301 1 12 . 1 1 5 5 ASP CB C 5 41.109 41.109 41.841 -0.732 25187
302 1 12 . 1 1 5 5 ASP H H 5 8.207 8.207 8.085 0.122 25187
303 1 12 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.388 -0.068 25187
304 1 12 . 1 1 6 6 PRO CA C 6 64.870 64.870 64.068 0.802 25187
305 1 12 . 1 1 6 6 PRO CB C 6 32.239 32.239 32.445 -0.206 25187
306 1 12 . 1 1 7 7 ARG N N 7 115.372 115.372 118.779 -3.407 25187
307 1 12 . 1 1 7 7 ARG HA H 7 4.226 4.226 4.311 -0.085 25187
308 1 12 . 1 1 7 7 ARG CA C 7 56.447 56.447 56.278 0.169 25187
309 1 12 . 1 1 7 7 ARG H H 7 8.513 8.513 8.398 0.115 25187
310 1 12 . 1 1 8 8 CYS N N 8 119.438 119.438 118.099 1.339 25187
311 1 12 . 1 1 8 8 CYS HA H 8 4.503 4.503 4.628 -0.125 25187
312 1 12 . 1 1 8 8 CYS CA C 8 55.250 55.250 58.062 -2.812 25187
313 1 12 . 1 1 8 8 CYS CB C 8 40.851 40.851 27.929 12.922 25187
314 1 12 . 1 1 8 8 CYS H H 8 7.956 7.956 7.923 0.033 25187
315 1 12 . 1 1 9 9 ARG N N 9 125.001 125.001 124.959 0.042 25187
316 1 12 . 1 1 9 9 ARG HA H 9 4.106 4.106 4.066 0.040 25187
317 1 12 . 1 1 9 9 ARG CA C 9 57.636 57.636 58.331 -0.695 25187
318 1 12 . 1 1 9 9 ARG CB C 9 29.950 29.950 30.430 -0.480 25187
319 1 12 . 1 1 9 9 ARG H H 9 8.620 8.620 8.470 0.150 25187
320 1 12 . 1 1 10 10 TYR N N 10 117.792 117.792 120.727 -2.935 25187
321 1 12 . 1 1 10 10 TYR HA H 10 4.729 4.729 4.493 0.236 25187
322 1 12 . 1 1 10 10 TYR CA C 10 56.524 56.524 57.747 -1.223 25187
323 1 12 . 1 1 10 10 TYR CB C 10 39.234 39.234 39.764 -0.530 25187
324 1 12 . 1 1 10 10 TYR H H 10 7.427 7.427 7.637 -0.210 25187
325 1 13 . 1 1 5 5 ASP N N 5 122.727 122.727 125.991 -3.264 25187
326 1 13 . 1 1 5 5 ASP HA H 5 5.079 5.079 5.148 -0.069 25187
327 1 13 . 1 1 5 5 ASP CA C 5 51.108 51.108 51.729 -0.621 25187
328 1 13 . 1 1 5 5 ASP CB C 5 41.109 41.109 42.209 -1.100 25187
329 1 13 . 1 1 5 5 ASP H H 5 8.207 8.207 8.289 -0.082 25187
330 1 13 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.317 0.003 25187
331 1 13 . 1 1 6 6 PRO CA C 6 64.870 64.870 64.627 0.243 25187
332 1 13 . 1 1 6 6 PRO CB C 6 32.239 32.239 31.908 0.331 25187
333 1 13 . 1 1 7 7 ARG N N 7 115.372 115.372 115.759 -0.387 25187
334 1 13 . 1 1 7 7 ARG HA H 7 4.226 4.226 4.319 -0.093 25187
335 1 13 . 1 1 7 7 ARG CA C 7 56.447 56.447 55.611 0.835 25187
336 1 13 . 1 1 7 7 ARG H H 7 8.513 8.513 8.125 0.388 25187
337 1 13 . 1 1 8 8 CYS N N 8 119.438 119.438 119.457 -0.019 25187
338 1 13 . 1 1 8 8 CYS HA H 8 4.503 4.503 4.338 0.165 25187
339 1 13 . 1 1 8 8 CYS CA C 8 55.250 55.250 59.994 -4.744 25187
340 1 13 . 1 1 8 8 CYS CB C 8 40.851 40.851 27.544 13.307 25187
341 1 13 . 1 1 8 8 CYS H H 8 7.956 7.956 8.077 -0.121 25187
342 1 13 . 1 1 9 9 ARG N N 9 125.001 125.001 128.925 -3.924 25187
343 1 13 . 1 1 9 9 ARG HA H 9 4.106 4.106 4.098 0.008 25187
344 1 13 . 1 1 9 9 ARG CA C 9 57.636 57.636 58.020 -0.384 25187
345 1 13 . 1 1 9 9 ARG CB C 9 29.950 29.950 30.406 -0.456 25187
346 1 13 . 1 1 9 9 ARG H H 9 8.620 8.620 8.866 -0.246 25187
347 1 13 . 1 1 10 10 TYR N N 10 117.792 117.792 120.398 -2.606 25187
348 1 13 . 1 1 10 10 TYR HA H 10 4.729 4.729 4.620 0.109 25187
349 1 13 . 1 1 10 10 TYR CA C 10 56.524 56.524 56.963 -0.439 25187
350 1 13 . 1 1 10 10 TYR CB C 10 39.234 39.234 40.018 -0.784 25187
351 1 13 . 1 1 10 10 TYR H H 10 7.427 7.427 7.806 -0.379 25187
352 1 14 . 1 1 5 5 ASP N N 5 122.727 122.727 124.676 -1.949 25187
353 1 14 . 1 1 5 5 ASP HA H 5 5.079 5.079 5.086 -0.007 25187
354 1 14 . 1 1 5 5 ASP CA C 5 51.108 51.108 52.053 -0.945 25187
355 1 14 . 1 1 5 5 ASP CB C 5 41.109 41.109 42.125 -1.016 25187
356 1 14 . 1 1 5 5 ASP H H 5 8.207 8.207 8.112 0.095 25187
357 1 14 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.362 -0.042 25187
358 1 14 . 1 1 6 6 PRO CA C 6 64.870 64.870 64.010 0.860 25187
359 1 14 . 1 1 6 6 PRO CB C 6 32.239 32.239 32.324 -0.085 25187
360 1 14 . 1 1 7 7 ARG N N 7 115.372 115.372 117.623 -2.251 25187
361 1 14 . 1 1 7 7 ARG HA H 7 4.226 4.226 4.390 -0.164 25187
362 1 14 . 1 1 7 7 ARG CA C 7 56.447 56.447 55.385 1.062 25187
363 1 14 . 1 1 7 7 ARG H H 7 8.513 8.513 8.146 0.367 25187
364 1 14 . 1 1 8 8 CYS N N 8 119.438 119.438 120.285 -0.847 25187
365 1 14 . 1 1 8 8 CYS HA H 8 4.503 4.503 4.618 -0.115 25187
366 1 14 . 1 1 8 8 CYS CA C 8 55.250 55.250 58.142 -2.892 25187
367 1 14 . 1 1 8 8 CYS CB C 8 40.851 40.851 28.917 11.934 25187
368 1 14 . 1 1 8 8 CYS H H 8 7.956 7.956 7.691 0.265 25187
369 1 14 . 1 1 9 9 ARG N N 9 125.001 125.001 125.753 -0.752 25187
370 1 14 . 1 1 9 9 ARG HA H 9 4.106 4.106 4.071 0.035 25187
371 1 14 . 1 1 9 9 ARG CA C 9 57.636 57.636 58.218 -0.582 25187
372 1 14 . 1 1 9 9 ARG CB C 9 29.950 29.950 30.336 -0.386 25187
373 1 14 . 1 1 9 9 ARG H H 9 8.620 8.620 8.597 0.023 25187
374 1 14 . 1 1 10 10 TYR N N 10 117.792 117.792 120.447 -2.655 25187
375 1 14 . 1 1 10 10 TYR HA H 10 4.729 4.729 4.471 0.258 25187
376 1 14 . 1 1 10 10 TYR CA C 10 56.524 56.524 58.385 -1.861 25187
377 1 14 . 1 1 10 10 TYR CB C 10 39.234 39.234 38.901 0.333 25187
378 1 14 . 1 1 10 10 TYR H H 10 7.427 7.427 7.704 -0.277 25187
379 1 15 . 1 1 5 5 ASP N N 5 122.727 122.727 126.590 -3.863 25187
380 1 15 . 1 1 5 5 ASP HA H 5 5.079 5.079 5.188 -0.109 25187
381 1 15 . 1 1 5 5 ASP CA C 5 51.108 51.108 51.738 -0.630 25187
382 1 15 . 1 1 5 5 ASP CB C 5 41.109 41.109 42.022 -0.913 25187
383 1 15 . 1 1 5 5 ASP H H 5 8.207 8.207 7.775 0.432 25187
384 1 15 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.213 0.107 25187
385 1 15 . 1 1 6 6 PRO CA C 6 64.870 64.870 64.541 0.329 25187
386 1 15 . 1 1 6 6 PRO CB C 6 32.239 32.239 32.155 0.084 25187
387 1 15 . 1 1 7 7 ARG N N 7 115.372 115.372 115.963 -0.591 25187
388 1 15 . 1 1 7 7 ARG HA H 7 4.226 4.226 4.294 -0.068 25187
389 1 15 . 1 1 7 7 ARG CA C 7 56.447 56.447 55.835 0.612 25187
390 1 15 . 1 1 7 7 ARG H H 7 8.513 8.513 7.940 0.573 25187
391 1 15 . 1 1 8 8 CYS N N 8 119.438 119.438 121.189 -1.751 25187
392 1 15 . 1 1 8 8 CYS HA H 8 4.503 4.503 4.335 0.168 25187
393 1 15 . 1 1 8 8 CYS CA C 8 55.250 55.250 59.530 -4.280 25187
394 1 15 . 1 1 8 8 CYS CB C 8 40.851 40.851 28.039 12.812 25187
395 1 15 . 1 1 8 8 CYS H H 8 7.956 7.956 7.943 0.013 25187
396 1 15 . 1 1 9 9 ARG N N 9 125.001 125.001 126.611 -1.610 25187
397 1 15 . 1 1 9 9 ARG HA H 9 4.106 4.106 4.032 0.074 25187
398 1 15 . 1 1 9 9 ARG CA C 9 57.636 57.636 58.030 -0.394 25187
399 1 15 . 1 1 9 9 ARG CB C 9 29.950 29.950 30.121 -0.171 25187
400 1 15 . 1 1 9 9 ARG H H 9 8.620 8.620 8.705 -0.085 25187
401 1 15 . 1 1 10 10 TYR N N 10 117.792 117.792 122.248 -4.456 25187
402 1 15 . 1 1 10 10 TYR HA H 10 4.729 4.729 4.466 0.263 25187
403 1 15 . 1 1 10 10 TYR CA C 10 56.524 56.524 58.126 -1.602 25187
404 1 15 . 1 1 10 10 TYR CB C 10 39.234 39.234 38.760 0.474 25187
405 1 15 . 1 1 10 10 TYR H H 10 7.427 7.427 7.616 -0.189 25187
406 1 16 . 1 1 5 5 ASP N N 5 122.727 122.727 125.995 -3.268 25187
407 1 16 . 1 1 5 5 ASP HA H 5 5.079 5.079 5.105 -0.026 25187
408 1 16 . 1 1 5 5 ASP CA C 5 51.108 51.108 52.010 -0.902 25187
409 1 16 . 1 1 5 5 ASP CB C 5 41.109 41.109 42.596 -1.487 25187
410 1 16 . 1 1 5 5 ASP H H 5 8.207 8.207 7.731 0.476 25187
411 1 16 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.367 -0.047 25187
412 1 16 . 1 1 6 6 PRO CA C 6 64.870 64.870 63.939 0.931 25187
413 1 16 . 1 1 6 6 PRO CB C 6 32.239 32.239 32.359 -0.120 25187
414 1 16 . 1 1 7 7 ARG N N 7 115.372 115.372 117.796 -2.424 25187
415 1 16 . 1 1 7 7 ARG HA H 7 4.226 4.226 4.320 -0.094 25187
416 1 16 . 1 1 7 7 ARG CA C 7 56.447 56.447 55.740 0.707 25187
417 1 16 . 1 1 7 7 ARG H H 7 8.513 8.513 7.930 0.583 25187
418 1 16 . 1 1 8 8 CYS N N 8 119.438 119.438 120.456 -1.018 25187
419 1 16 . 1 1 8 8 CYS HA H 8 4.503 4.503 4.354 0.149 25187
420 1 16 . 1 1 8 8 CYS CA C 8 55.250 55.250 59.132 -3.882 25187
421 1 16 . 1 1 8 8 CYS CB C 8 40.851 40.851 28.235 12.616 25187
422 1 16 . 1 1 8 8 CYS H H 8 7.956 7.956 7.584 0.372 25187
423 1 16 . 1 1 9 9 ARG N N 9 125.001 125.001 126.320 -1.319 25187
424 1 16 . 1 1 9 9 ARG HA H 9 4.106 4.106 4.042 0.064 25187
425 1 16 . 1 1 9 9 ARG CA C 9 57.636 57.636 57.623 0.013 25187
426 1 16 . 1 1 9 9 ARG CB C 9 29.950 29.950 29.976 -0.026 25187
427 1 16 . 1 1 9 9 ARG H H 9 8.620 8.620 8.587 0.033 25187
428 1 16 . 1 1 10 10 TYR N N 10 117.792 117.792 121.424 -3.632 25187
429 1 16 . 1 1 10 10 TYR HA H 10 4.729 4.729 4.606 0.123 25187
430 1 16 . 1 1 10 10 TYR CA C 10 56.524 56.524 57.477 -0.953 25187
431 1 16 . 1 1 10 10 TYR CB C 10 39.234 39.234 40.142 -0.909 25187
432 1 16 . 1 1 10 10 TYR H H 10 7.427 7.427 7.574 -0.147 25187
433 1 17 . 1 1 5 5 ASP N N 5 122.727 122.727 124.976 -2.249 25187
434 1 17 . 1 1 5 5 ASP HA H 5 5.079 5.079 5.068 0.011 25187
435 1 17 . 1 1 5 5 ASP CA C 5 51.108 51.108 51.850 -0.742 25187
436 1 17 . 1 1 5 5 ASP CB C 5 41.109 41.109 42.194 -1.085 25187
437 1 17 . 1 1 5 5 ASP H H 5 8.207 8.207 7.894 0.313 25187
438 1 17 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.352 -0.032 25187
439 1 17 . 1 1 6 6 PRO CA C 6 64.870 64.870 64.007 0.863 25187
440 1 17 . 1 1 6 6 PRO CB C 6 32.239 32.239 32.237 0.002 25187
441 1 17 . 1 1 7 7 ARG N N 7 115.372 115.372 117.474 -2.102 25187
442 1 17 . 1 1 7 7 ARG HA H 7 4.226 4.226 4.299 -0.073 25187
443 1 17 . 1 1 7 7 ARG CA C 7 56.447 56.447 56.066 0.381 25187
444 1 17 . 1 1 7 7 ARG H H 7 8.513 8.513 7.988 0.525 25187
445 1 17 . 1 1 8 8 CYS N N 8 119.438 119.438 119.280 0.158 25187
446 1 17 . 1 1 8 8 CYS HA H 8 4.503 4.503 4.568 -0.065 25187
447 1 17 . 1 1 8 8 CYS CA C 8 55.250 55.250 58.464 -3.214 25187
448 1 17 . 1 1 8 8 CYS CB C 8 40.851 40.851 28.498 12.353 25187
449 1 17 . 1 1 8 8 CYS H H 8 7.956 7.956 7.669 0.287 25187
450 1 17 . 1 1 9 9 ARG N N 9 125.001 125.001 122.213 2.788 25187
451 1 17 . 1 1 9 9 ARG HA H 9 4.106 4.106 4.090 0.016 25187
452 1 17 . 1 1 9 9 ARG CA C 9 57.636 57.636 57.992 -0.355 25187
453 1 17 . 1 1 9 9 ARG CB C 9 29.950 29.950 30.501 -0.551 25187
454 1 17 . 1 1 9 9 ARG H H 9 8.620 8.620 8.520 0.100 25187
455 1 17 . 1 1 10 10 TYR N N 10 117.792 117.792 119.849 -2.057 25187
456 1 17 . 1 1 10 10 TYR HA H 10 4.729 4.729 4.546 0.183 25187
457 1 17 . 1 1 10 10 TYR CA C 10 56.524 56.524 57.676 -1.152 25187
458 1 17 . 1 1 10 10 TYR CB C 10 39.234 39.234 39.224 0.010 25187
459 1 17 . 1 1 10 10 TYR H H 10 7.427 7.427 8.032 -0.605 25187
460 1 18 . 1 1 5 5 ASP N N 5 122.727 122.727 125.184 -2.457 25187
461 1 18 . 1 1 5 5 ASP HA H 5 5.079 5.079 5.062 0.017 25187
462 1 18 . 1 1 5 5 ASP CA C 5 51.108 51.108 52.208 -1.100 25187
463 1 18 . 1 1 5 5 ASP CB C 5 41.109 41.109 42.916 -1.808 25187
464 1 18 . 1 1 5 5 ASP H H 5 8.207 8.207 7.813 0.394 25187
465 1 18 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.464 -0.144 25187
466 1 18 . 1 1 6 6 PRO CA C 6 64.870 64.870 64.144 0.726 25187
467 1 18 . 1 1 6 6 PRO CB C 6 32.239 32.239 32.453 -0.214 25187
468 1 18 . 1 1 7 7 ARG N N 7 115.372 115.372 117.240 -1.868 25187
469 1 18 . 1 1 7 7 ARG HA H 7 4.226 4.226 4.332 -0.106 25187
470 1 18 . 1 1 7 7 ARG CA C 7 56.447 56.447 55.848 0.599 25187
471 1 18 . 1 1 7 7 ARG H H 7 8.513 8.513 8.261 0.252 25187
472 1 18 . 1 1 8 8 CYS N N 8 119.438 119.438 121.040 -1.602 25187
473 1 18 . 1 1 8 8 CYS HA H 8 4.503 4.503 4.554 -0.051 25187
474 1 18 . 1 1 8 8 CYS CA C 8 55.250 55.250 58.404 -3.154 25187
475 1 18 . 1 1 8 8 CYS CB C 8 40.851 40.851 28.873 11.978 25187
476 1 18 . 1 1 8 8 CYS H H 8 7.956 7.956 7.673 0.283 25187
477 1 18 . 1 1 9 9 ARG N N 9 125.001 125.001 124.760 0.241 25187
478 1 18 . 1 1 9 9 ARG HA H 9 4.106 4.106 4.092 0.014 25187
479 1 18 . 1 1 9 9 ARG CA C 9 57.636 57.636 57.555 0.081 25187
480 1 18 . 1 1 9 9 ARG CB C 9 29.950 29.950 29.974 -0.024 25187
481 1 18 . 1 1 9 9 ARG H H 9 8.620 8.620 8.450 0.170 25187
482 1 18 . 1 1 10 10 TYR N N 10 117.792 117.792 122.171 -4.379 25187
483 1 18 . 1 1 10 10 TYR HA H 10 4.729 4.729 4.388 0.341 25187
484 1 18 . 1 1 10 10 TYR CA C 10 56.524 56.524 58.746 -2.223 25187
485 1 18 . 1 1 10 10 TYR CB C 10 39.234 39.234 39.106 0.128 25187
486 1 18 . 1 1 10 10 TYR H H 10 7.427 7.427 7.663 -0.236 25187
487 1 19 . 1 1 5 5 ASP N N 5 122.727 122.727 126.156 -3.429 25187
488 1 19 . 1 1 5 5 ASP HA H 5 5.079 5.079 5.043 0.036 25187
489 1 19 . 1 1 5 5 ASP CA C 5 51.108 51.108 52.005 -0.896 25187
490 1 19 . 1 1 5 5 ASP CB C 5 41.109 41.109 41.754 -0.645 25187
491 1 19 . 1 1 5 5 ASP H H 5 8.207 8.207 8.255 -0.048 25187
492 1 19 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.356 -0.036 25187
493 1 19 . 1 1 6 6 PRO CA C 6 64.870 64.870 63.959 0.912 25187
494 1 19 . 1 1 6 6 PRO CB C 6 32.239 32.239 32.293 -0.054 25187
495 1 19 . 1 1 7 7 ARG N N 7 115.372 115.372 117.947 -2.575 25187
496 1 19 . 1 1 7 7 ARG HA H 7 4.226 4.226 4.324 -0.098 25187
497 1 19 . 1 1 7 7 ARG CA C 7 56.447 56.447 55.907 0.540 25187
498 1 19 . 1 1 7 7 ARG H H 7 8.513 8.513 8.067 0.446 25187
499 1 19 . 1 1 8 8 CYS N N 8 119.438 119.438 119.941 -0.503 25187
500 1 19 . 1 1 8 8 CYS HA H 8 4.503 4.503 4.594 -0.091 25187
501 1 19 . 1 1 8 8 CYS CA C 8 55.250 55.250 58.245 -2.995 25187
502 1 19 . 1 1 8 8 CYS CB C 8 40.851 40.851 28.647 12.204 25187
503 1 19 . 1 1 8 8 CYS H H 8 7.956 7.956 7.708 0.248 25187
504 1 19 . 1 1 9 9 ARG N N 9 125.001 125.001 123.313 1.688 25187
505 1 19 . 1 1 9 9 ARG HA H 9 4.106 4.106 4.100 0.006 25187
506 1 19 . 1 1 9 9 ARG CA C 9 57.636 57.636 58.217 -0.581 25187
507 1 19 . 1 1 9 9 ARG CB C 9 29.950 29.950 30.319 -0.369 25187
508 1 19 . 1 1 9 9 ARG H H 9 8.620 8.620 8.521 0.099 25187
509 1 19 . 1 1 10 10 TYR N N 10 117.792 117.792 119.780 -1.988 25187
510 1 19 . 1 1 10 10 TYR HA H 10 4.729 4.729 4.498 0.231 25187
511 1 19 . 1 1 10 10 TYR CA C 10 56.524 56.524 58.124 -1.600 25187
512 1 19 . 1 1 10 10 TYR CB C 10 39.234 39.234 39.216 0.018 25187
513 1 19 . 1 1 10 10 TYR H H 10 7.427 7.427 8.132 -0.705 25187
514 1 20 . 1 1 5 5 ASP N N 5 122.727 122.727 125.703 -2.976 25187
515 1 20 . 1 1 5 5 ASP HA H 5 5.079 5.079 4.979 0.100 25187
516 1 20 . 1 1 5 5 ASP CA C 5 51.108 51.108 52.190 -1.082 25187
517 1 20 . 1 1 5 5 ASP CB C 5 41.109 41.109 41.861 -0.752 25187
518 1 20 . 1 1 5 5 ASP H H 5 8.207 8.207 8.123 0.084 25187
519 1 20 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.374 -0.054 25187
520 1 20 . 1 1 6 6 PRO CA C 6 64.870 64.870 64.168 0.702 25187
521 1 20 . 1 1 6 6 PRO CB C 6 32.239 32.239 32.380 -0.141 25187
522 1 20 . 1 1 7 7 ARG N N 7 115.372 115.372 117.227 -1.855 25187
523 1 20 . 1 1 7 7 ARG HA H 7 4.226 4.226 4.272 -0.046 25187
524 1 20 . 1 1 7 7 ARG CA C 7 56.447 56.447 56.362 0.085 25187
525 1 20 . 1 1 7 7 ARG H H 7 8.513 8.513 8.113 0.400 25187
526 1 20 . 1 1 8 8 CYS N N 8 119.438 119.438 119.781 -0.343 25187
527 1 20 . 1 1 8 8 CYS HA H 8 4.503 4.503 4.516 -0.013 25187
528 1 20 . 1 1 8 8 CYS CA C 8 55.250 55.250 58.870 -3.620 25187
529 1 20 . 1 1 8 8 CYS CB C 8 40.851 40.851 28.089 12.762 25187
530 1 20 . 1 1 8 8 CYS H H 8 7.956 7.956 7.681 0.276 25187
531 1 20 . 1 1 9 9 ARG N N 9 125.001 125.001 124.276 0.725 25187
532 1 20 . 1 1 9 9 ARG HA H 9 4.106 4.106 4.092 0.014 25187
533 1 20 . 1 1 9 9 ARG CA C 9 57.636 57.636 58.426 -0.790 25187
534 1 20 . 1 1 9 9 ARG CB C 9 29.950 29.950 30.476 -0.525 25187
535 1 20 . 1 1 9 9 ARG H H 9 8.620 8.620 8.654 -0.034 25187
536 1 20 . 1 1 10 10 TYR N N 10 117.792 117.792 120.146 -2.354 25187
537 1 20 . 1 1 10 10 TYR HA H 10 4.729 4.729 4.524 0.205 25187
538 1 20 . 1 1 10 10 TYR CA C 10 56.524 56.524 58.101 -1.577 25187
539 1 20 . 1 1 10 10 TYR CB C 10 39.234 39.234 39.380 -0.146 25187
540 1 20 . 1 1 10 10 TYR H H 10 7.427 7.427 7.980 -0.553 25187
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 2.010 1.427 1.582 25187
2 1 1 "Average Difference" HA 6 0.116 -0.025 0.125 25187
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25187
4 1 1 "Average Difference" CA 6 1.618 0.772 1.558 25187
5 1 1 "Average Difference" CB 5 5.539 -2.309 5.629 25187
6 1 1 "Average Difference" HN 5 0.423 -0.064 0.468 25187
7 1 2 "Average Difference" N 5 2.633 2.450 1.076 25187
8 1 2 "Average Difference" HA 6 0.139 -0.037 0.147 25187
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25187
10 1 2 "Average Difference" CA 6 1.681 0.887 1.563 25187
11 1 2 "Average Difference" CB 5 5.582 -2.180 5.745 25187
12 1 2 "Average Difference" HN 5 0.273 -0.161 0.246 25187
13 1 3 "Average Difference" N 5 2.456 2.346 0.813 25187
14 1 3 "Average Difference" HA 6 0.134 -0.044 0.139 25187
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25187
16 1 3 "Average Difference" CA 6 1.774 0.878 1.688 25187
17 1 3 "Average Difference" CB 5 5.533 -2.173 5.689 25187
18 1 3 "Average Difference" HN 5 0.289 -0.170 0.261 25187
19 1 4 "Average Difference" N 5 2.603 0.814 2.764 25187
20 1 4 "Average Difference" HA 6 0.103 -0.001 0.113 25187
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25187
22 1 4 "Average Difference" CA 6 1.331 0.681 1.254 25187
23 1 4 "Average Difference" CB 5 5.548 -1.937 5.812 25187
24 1 4 "Average Difference" HN 5 0.349 -0.029 0.389 25187
25 1 5 "Average Difference" N 5 2.592 2.383 1.139 25187
26 1 5 "Average Difference" HA 6 0.125 -0.050 0.126 25187
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25187
28 1 5 "Average Difference" CA 6 1.932 0.962 1.836 25187
29 1 5 "Average Difference" CB 5 5.980 -2.006 6.299 25187
30 1 5 "Average Difference" HN 5 0.208 -0.032 0.229 25187
31 1 6 "Average Difference" N 5 2.303 1.876 1.494 25187
32 1 6 "Average Difference" HA 6 0.137 -0.050 0.139 25187
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25187
34 1 6 "Average Difference" CA 6 2.076 0.948 2.023 25187
35 1 6 "Average Difference" CB 5 5.867 -2.342 6.014 25187
36 1 6 "Average Difference" HN 5 0.352 -0.186 0.333 25187
37 1 7 "Average Difference" N 5 2.147 2.089 0.553 25187
38 1 7 "Average Difference" HA 6 0.118 -0.032 0.125 25187
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25187
40 1 7 "Average Difference" CA 6 1.934 0.986 1.823 25187
41 1 7 "Average Difference" CB 5 5.827 -2.331 5.971 25187
42 1 7 "Average Difference" HN 5 0.277 -0.112 0.283 25187
43 1 8 "Average Difference" N 5 2.906 2.527 1.605 25187
44 1 8 "Average Difference" HA 6 0.155 -0.072 0.150 25187
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25187
46 1 8 "Average Difference" CA 6 2.079 0.939 2.032 25187
47 1 8 "Average Difference" CB 5 5.795 -2.459 5.867 25187
48 1 8 "Average Difference" HN 5 0.300 -0.118 0.308 25187
49 1 9 "Average Difference" N 5 2.135 0.807 2.210 25187
50 1 9 "Average Difference" HA 6 0.112 0.000 0.122 25187
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25187
52 1 9 "Average Difference" CA 6 1.565 0.657 1.556 25187
53 1 9 "Average Difference" CB 5 5.523 -2.232 5.648 25187
54 1 9 "Average Difference" HN 5 0.394 -0.098 0.427 25187
55 1 10 "Average Difference" N 5 1.896 0.509 2.042 25187
56 1 10 "Average Difference" HA 6 0.094 -0.026 0.099 25187
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25187
58 1 10 "Average Difference" CA 6 1.673 0.930 1.523 25187
59 1 10 "Average Difference" CB 5 5.726 -2.387 5.818 25187
60 1 10 "Average Difference" HN 5 0.461 -0.020 0.515 25187
61 1 11 "Average Difference" N 5 1.956 1.344 1.590 25187
62 1 11 "Average Difference" HA 6 0.097 -0.023 0.103 25187
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25187
64 1 11 "Average Difference" CA 6 1.345 0.815 1.172 25187
65 1 11 "Average Difference" CB 5 5.228 -2.096 5.355 25187
66 1 11 "Average Difference" HN 5 0.367 0.006 0.410 25187
67 1 12 "Average Difference" N 5 2.380 1.494 2.071 25187
68 1 12 "Average Difference" HA 6 0.130 -0.021 0.141 25187
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25187
70 1 12 "Average Difference" CA 6 1.387 0.792 1.247 25187
71 1 12 "Average Difference" CB 5 5.798 -2.195 6.000 25187
72 1 12 "Average Difference" HN 5 0.138 -0.042 0.147 25187
73 1 13 "Average Difference" N 5 2.569 2.040 1.745 25187
74 1 13 "Average Difference" HA 6 0.094 -0.021 0.100 25187
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25187
76 1 13 "Average Difference" CA 6 1.999 0.852 1.982 25187
77 1 13 "Average Difference" CB 5 5.987 -2.260 6.199 25187
78 1 13 "Average Difference" HN 5 0.274 0.088 0.290 25187
79 1 14 "Average Difference" N 5 1.855 1.691 0.852 25187
80 1 14 "Average Difference" HA 6 0.135 0.006 0.148 25187
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25187
82 1 14 "Average Difference" CA 6 1.577 0.726 1.534 25187
83 1 14 "Average Difference" CB 5 5.361 -2.156 5.488 25187
84 1 14 "Average Difference" HN 5 0.241 -0.095 0.248 25187
85 1 15 "Average Difference" N 5 2.856 2.454 1.633 25187
86 1 15 "Average Difference" HA 6 0.148 -0.072 0.141 25187
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25187
88 1 15 "Average Difference" CA 6 1.911 0.994 1.788 25187
89 1 15 "Average Difference" CB 5 5.749 -2.457 5.811 25187
90 1 15 "Average Difference" HN 5 0.334 -0.149 0.334 25187
91 1 16 "Average Difference" N 5 2.550 2.332 1.154 25187
92 1 16 "Average Difference" HA 6 0.094 -0.028 0.099 25187
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25187
94 1 16 "Average Difference" CA 6 1.740 0.681 1.754 25187
95 1 16 "Average Difference" CB 5 5.696 -2.015 5.956 25187
96 1 16 "Average Difference" HN 5 0.382 -0.263 0.309 25187
97 1 17 "Average Difference" N 5 2.074 0.692 2.186 25187
98 1 17 "Average Difference" HA 6 0.086 -0.007 0.094 25187
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25187
100 1 17 "Average Difference" CA 6 1.485 0.703 1.432 25187
101 1 17 "Average Difference" CB 5 5.551 -2.146 5.724 25187
102 1 17 "Average Difference" HN 5 0.408 -0.124 0.434 25187
103 1 18 "Average Difference" N 5 2.503 2.013 1.663 25187
104 1 18 "Average Difference" HA 6 0.159 -0.012 0.173 25187
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25187
106 1 18 "Average Difference" CA 6 1.683 0.845 1.594 25187
107 1 18 "Average Difference" CB 5 5.419 -2.012 5.625 25187
108 1 18 "Average Difference" HN 5 0.277 -0.173 0.242 25187
109 1 19 "Average Difference" N 5 2.256 1.361 2.011 25187
110 1 19 "Average Difference" HA 6 0.111 -0.008 0.121 25187
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25187
112 1 19 "Average Difference" CA 6 1.516 0.770 1.431 25187
113 1 19 "Average Difference" CB 5 5.468 -2.231 5.581 25187
114 1 19 "Average Difference" HN 5 0.392 -0.008 0.439 25187
115 1 20 "Average Difference" N 5 1.923 1.361 1.519 25187
116 1 20 "Average Difference" HA 6 0.098 -0.034 0.100 25187
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25187
118 1 20 "Average Difference" CA 6 1.727 1.047 1.504 25187
119 1 20 "Average Difference" CB 5 5.723 -2.240 5.888 25187
120 1 20 "Average Difference" HN 5 0.332 -0.035 0.369 25187
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 25187
_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 5 122.727 122.727 125.592 -2.865 25187
2 1 . 1 1 5 5 ASP HA H 5 5.079 5.079 5.053 0.026 25187
3 1 . 1 1 5 5 ASP CA C 5 51.108 51.108 51.998 -0.890 25187
4 1 . 1 1 5 5 ASP CB C 5 41.109 41.109 42.152 -1.043 25187
5 1 . 1 1 5 5 ASP H H 5 8.207 8.207 7.990 0.217 25187
6 1 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.357 -0.037 25187
7 1 . 1 1 6 6 PRO CA C 6 64.870 64.870 64.139 0.731 25187
8 1 . 1 1 6 6 PRO CB C 6 32.239 32.239 32.296 -0.057 25187
9 1 . 1 1 7 7 ARG N N 7 115.372 115.372 117.264 -1.892 25187
10 1 . 1 1 7 7 ARG HA H 7 4.226 4.226 4.322 -0.096 25187
11 1 . 1 1 7 7 ARG CA C 7 56.447 56.447 55.861 0.586 25187
12 1 . 1 1 7 7 ARG H H 7 8.513 8.513 8.107 0.406 25187
13 1 . 1 1 8 8 CYS N N 8 119.438 119.438 120.222 -0.784 25187
14 1 . 1 1 8 8 CYS HA H 8 4.503 4.503 4.482 0.021 25187
15 1 . 1 1 8 8 CYS CA C 8 55.250 55.250 58.835 -3.585 25187
16 1 . 1 1 8 8 CYS CB C 8 40.851 40.851 28.300 12.551 25187
17 1 . 1 1 8 8 CYS H H 8 7.956 7.956 7.732 0.225 25187
18 1 . 1 1 9 9 ARG N N 9 125.001 125.001 124.984 0.017 25187
19 1 . 1 1 9 9 ARG HA H 9 4.106 4.106 4.076 0.030 25187
20 1 . 1 1 9 9 ARG CA C 9 57.636 57.636 58.084 -0.448 25187
21 1 . 1 1 9 9 ARG CB C 9 29.950 29.950 30.330 -0.380 25187
22 1 . 1 1 9 9 ARG H H 9 8.620 8.620 8.623 -0.003 25187
23 1 . 1 1 10 10 TYR N N 10 117.792 117.792 120.771 -2.979 25187
24 1 . 1 1 10 10 TYR HA H 10 4.729 4.729 4.506 0.223 25187
25 1 . 1 1 10 10 TYR CA C 10 56.524 56.524 57.978 -1.454 25187
26 1 . 1 1 10 10 TYR CB C 10 39.234 39.234 39.265 -0.031 25187
27 1 . 1 1 10 10 TYR H H 10 7.427 7.427 7.826 -0.399 25187
stop_
save_