data_25174
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25174
_Entry.PDB_ID 2MTO
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 25174
_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 4 4 SER N N 4 114.552 114.552 117.408 -2.856 25174
2 1 1 . 1 1 4 4 SER HA H 4 4.369 4.369 4.320 0.049 25174
3 1 1 . 1 1 4 4 SER CA C 4 58.608 58.608 60.355 -1.746 25174
4 1 1 . 1 1 4 4 SER CB C 4 62.908 62.908 63.428 -0.520 25174
5 1 1 . 1 1 4 4 SER H H 4 8.554 8.554 8.291 0.263 25174
6 1 1 . 1 1 5 5 ASP N N 5 121.374 121.374 123.726 -2.352 25174
7 1 1 . 1 1 5 5 ASP HA H 5 5.096 5.096 4.969 0.127 25174
8 1 1 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.060 -1.273 25174
9 1 1 . 1 1 5 5 ASP CB C 5 40.748 40.748 40.964 -0.216 25174
10 1 1 . 1 1 5 5 ASP H H 5 7.937 7.937 7.714 0.223 25174
11 1 1 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.323 -0.003 25174
12 1 1 . 1 1 6 6 PRO CA C 6 64.894 64.894 63.834 1.060 25174
13 1 1 . 1 1 6 6 PRO CB C 6 32.316 32.316 32.128 0.188 25174
14 1 1 . 1 1 10 10 TYR N N 10 118.230 118.230 121.070 -2.840 25174
15 1 1 . 1 1 10 10 TYR HA H 10 4.623 4.623 4.437 0.186 25174
16 1 1 . 1 1 10 10 TYR CA C 10 56.261 56.261 58.164 -1.903 25174
17 1 1 . 1 1 10 10 TYR CB C 10 38.916 38.916 39.147 -0.231 25174
18 1 1 . 1 1 10 10 TYR H H 10 7.412 7.412 8.410 -0.998 25174
19 1 1 . 1 1 11 11 ARG N N 11 120.334 120.334 118.101 2.233 25174
20 1 1 . 1 1 11 11 ARG HA H 11 4.264 4.264 4.141 0.123 25174
21 1 1 . 1 1 11 11 ARG CA C 11 56.149 56.149 57.083 -0.934 25174
22 1 1 . 1 1 11 11 ARG CB C 11 30.598 30.598 30.119 0.479 25174
23 1 1 . 1 1 11 11 ARG H H 11 8.268 8.268 8.813 -0.545 25174
24 1 1 . 1 1 12 12 CYS N N 12 121.083 121.083 119.881 1.202 25174
25 1 1 . 1 1 12 12 CYS HA H 12 4.613 4.613 4.417 0.196 25174
26 1 1 . 1 1 12 12 CYS CA C 12 56.492 56.492 58.846 -2.354 25174
27 1 1 . 1 1 12 12 CYS CB C 12 43.258 43.258 24.447 18.811 25174
28 1 1 . 1 1 12 12 CYS H H 12 8.514 8.514 8.550 -0.036 25174
29 1 2 . 1 1 4 4 SER N N 4 114.552 114.552 116.943 -2.391 25174
30 1 2 . 1 1 4 4 SER HA H 4 4.369 4.369 4.434 -0.065 25174
31 1 2 . 1 1 4 4 SER CA C 4 58.608 58.608 59.818 -1.210 25174
32 1 2 . 1 1 4 4 SER CB C 4 62.908 62.908 63.634 -0.726 25174
33 1 2 . 1 1 4 4 SER H H 4 8.554 8.554 8.300 0.254 25174
34 1 2 . 1 1 5 5 ASP N N 5 121.374 121.374 124.368 -2.994 25174
35 1 2 . 1 1 5 5 ASP HA H 5 5.096 5.096 4.838 0.258 25174
36 1 2 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.633 -1.846 25174
37 1 2 . 1 1 5 5 ASP CB C 5 40.748 40.748 40.879 -0.131 25174
38 1 2 . 1 1 5 5 ASP H H 5 7.937 7.937 7.708 0.229 25174
39 1 2 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.354 -0.034 25174
40 1 2 . 1 1 6 6 PRO CA C 6 64.894 64.894 63.890 1.004 25174
41 1 2 . 1 1 6 6 PRO CB C 6 32.316 32.316 32.282 0.034 25174
42 1 2 . 1 1 10 10 TYR N N 10 118.230 118.230 119.771 -1.541 25174
43 1 2 . 1 1 10 10 TYR HA H 10 4.623 4.623 4.444 0.179 25174
44 1 2 . 1 1 10 10 TYR CA C 10 56.261 56.261 58.549 -2.288 25174
45 1 2 . 1 1 10 10 TYR CB C 10 38.916 38.916 39.091 -0.175 25174
46 1 2 . 1 1 10 10 TYR H H 10 7.412 7.412 8.411 -0.999 25174
47 1 2 . 1 1 11 11 ARG N N 11 120.334 120.334 118.723 1.611 25174
48 1 2 . 1 1 11 11 ARG HA H 11 4.264 4.264 4.062 0.202 25174
49 1 2 . 1 1 11 11 ARG CA C 11 56.149 56.149 58.358 -2.209 25174
50 1 2 . 1 1 11 11 ARG CB C 11 30.598 30.598 30.088 0.510 25174
51 1 2 . 1 1 11 11 ARG H H 11 8.268 8.268 8.960 -0.692 25174
52 1 2 . 1 1 12 12 CYS N N 12 121.083 121.083 117.409 3.674 25174
53 1 2 . 1 1 12 12 CYS HA H 12 4.613 4.613 4.375 0.238 25174
54 1 2 . 1 1 12 12 CYS CA C 12 56.492 56.492 58.989 -2.498 25174
55 1 2 . 1 1 12 12 CYS CB C 12 43.258 43.258 27.000 16.258 25174
56 1 2 . 1 1 12 12 CYS H H 12 8.514 8.514 8.457 0.057 25174
57 1 3 . 1 1 4 4 SER N N 4 114.552 114.552 117.961 -3.409 25174
58 1 3 . 1 1 4 4 SER HA H 4 4.369 4.369 4.352 0.017 25174
59 1 3 . 1 1 4 4 SER CA C 4 58.608 58.608 59.808 -1.200 25174
60 1 3 . 1 1 4 4 SER CB C 4 62.908 62.908 63.099 -0.191 25174
61 1 3 . 1 1 4 4 SER H H 4 8.554 8.554 8.353 0.201 25174
62 1 3 . 1 1 5 5 ASP N N 5 121.374 121.374 123.326 -1.952 25174
63 1 3 . 1 1 5 5 ASP HA H 5 5.096 5.096 4.984 0.112 25174
64 1 3 . 1 1 5 5 ASP CA C 5 50.787 50.787 51.854 -1.067 25174
65 1 3 . 1 1 5 5 ASP CB C 5 40.748 40.748 41.519 -0.771 25174
66 1 3 . 1 1 5 5 ASP H H 5 7.937 7.937 7.692 0.245 25174
67 1 3 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.342 -0.022 25174
68 1 3 . 1 1 6 6 PRO CA C 6 64.894 64.894 63.743 1.151 25174
69 1 3 . 1 1 6 6 PRO CB C 6 32.316 32.316 32.372 -0.056 25174
70 1 3 . 1 1 10 10 TYR N N 10 118.230 118.230 119.998 -1.768 25174
71 1 3 . 1 1 10 10 TYR HA H 10 4.623 4.623 4.644 -0.021 25174
72 1 3 . 1 1 10 10 TYR CA C 10 56.261 56.261 57.330 -1.069 25174
73 1 3 . 1 1 10 10 TYR CB C 10 38.916 38.916 38.850 0.066 25174
74 1 3 . 1 1 10 10 TYR H H 10 7.412 7.412 8.367 -0.955 25174
75 1 3 . 1 1 11 11 ARG N N 11 120.334 120.334 120.816 -0.482 25174
76 1 3 . 1 1 11 11 ARG HA H 11 4.264 4.264 4.270 -0.006 25174
77 1 3 . 1 1 11 11 ARG CA C 11 56.149 56.149 56.673 -0.524 25174
78 1 3 . 1 1 11 11 ARG CB C 11 30.598 30.598 30.145 0.453 25174
79 1 3 . 1 1 11 11 ARG H H 11 8.268 8.268 8.377 -0.109 25174
80 1 3 . 1 1 12 12 CYS N N 12 121.083 121.083 125.291 -4.208 25174
81 1 3 . 1 1 12 12 CYS HA H 12 4.613 4.613 4.748 -0.135 25174
82 1 3 . 1 1 12 12 CYS CA C 12 56.492 56.492 58.647 -2.155 25174
83 1 3 . 1 1 12 12 CYS CB C 12 43.258 43.258 27.116 16.142 25174
84 1 3 . 1 1 12 12 CYS H H 12 8.514 8.514 8.627 -0.113 25174
85 1 4 . 1 1 4 4 SER N N 4 114.552 114.552 117.309 -2.757 25174
86 1 4 . 1 1 4 4 SER HA H 4 4.369 4.369 4.374 -0.005 25174
87 1 4 . 1 1 4 4 SER CA C 4 58.608 58.608 60.099 -1.491 25174
88 1 4 . 1 1 4 4 SER CB C 4 62.908 62.908 63.316 -0.408 25174
89 1 4 . 1 1 4 4 SER H H 4 8.554 8.554 8.279 0.275 25174
90 1 4 . 1 1 5 5 ASP N N 5 121.374 121.374 123.132 -1.758 25174
91 1 4 . 1 1 5 5 ASP HA H 5 5.096 5.096 4.886 0.210 25174
92 1 4 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.158 -1.371 25174
93 1 4 . 1 1 5 5 ASP CB C 5 40.748 40.748 41.196 -0.448 25174
94 1 4 . 1 1 5 5 ASP H H 5 7.937 7.937 7.786 0.151 25174
95 1 4 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.337 -0.017 25174
96 1 4 . 1 1 6 6 PRO CA C 6 64.894 64.894 63.833 1.061 25174
97 1 4 . 1 1 6 6 PRO CB C 6 32.316 32.316 32.330 -0.014 25174
98 1 4 . 1 1 10 10 TYR N N 10 118.230 118.230 120.716 -2.486 25174
99 1 4 . 1 1 10 10 TYR HA H 10 4.623 4.623 4.516 0.107 25174
100 1 4 . 1 1 10 10 TYR CA C 10 56.261 56.261 57.411 -1.150 25174
101 1 4 . 1 1 10 10 TYR CB C 10 38.916 38.916 39.289 -0.373 25174
102 1 4 . 1 1 10 10 TYR H H 10 7.412 7.412 8.333 -0.921 25174
103 1 4 . 1 1 11 11 ARG N N 11 120.334 120.334 119.225 1.109 25174
104 1 4 . 1 1 11 11 ARG HA H 11 4.264 4.264 4.143 0.121 25174
105 1 4 . 1 1 11 11 ARG CA C 11 56.149 56.149 58.092 -1.943 25174
106 1 4 . 1 1 11 11 ARG CB C 11 30.598 30.598 29.617 0.981 25174
107 1 4 . 1 1 11 11 ARG H H 11 8.268 8.268 9.082 -0.814 25174
108 1 4 . 1 1 12 12 CYS N N 12 121.083 121.083 117.265 3.818 25174
109 1 4 . 1 1 12 12 CYS HA H 12 4.613 4.613 4.326 0.287 25174
110 1 4 . 1 1 12 12 CYS CA C 12 56.492 56.492 60.351 -3.859 25174
111 1 4 . 1 1 12 12 CYS CB C 12 43.258 43.258 26.938 16.320 25174
112 1 4 . 1 1 12 12 CYS H H 12 8.514 8.514 8.658 -0.144 25174
113 1 5 . 1 1 4 4 SER N N 4 114.552 114.552 117.883 -3.331 25174
114 1 5 . 1 1 4 4 SER HA H 4 4.369 4.369 4.314 0.055 25174
115 1 5 . 1 1 4 4 SER CA C 4 58.608 58.608 59.954 -1.346 25174
116 1 5 . 1 1 4 4 SER CB C 4 62.908 62.908 63.283 -0.375 25174
117 1 5 . 1 1 4 4 SER H H 4 8.554 8.554 8.350 0.204 25174
118 1 5 . 1 1 5 5 ASP N N 5 121.374 121.374 123.541 -2.167 25174
119 1 5 . 1 1 5 5 ASP HA H 5 5.096 5.096 5.009 0.087 25174
120 1 5 . 1 1 5 5 ASP CA C 5 50.787 50.787 51.691 -0.904 25174
121 1 5 . 1 1 5 5 ASP CB C 5 40.748 40.748 41.282 -0.534 25174
122 1 5 . 1 1 5 5 ASP H H 5 7.937 7.937 7.705 0.232 25174
123 1 5 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.319 0.001 25174
124 1 5 . 1 1 6 6 PRO CA C 6 64.894 64.894 63.785 1.109 25174
125 1 5 . 1 1 6 6 PRO CB C 6 32.316 32.316 32.380 -0.064 25174
126 1 5 . 1 1 10 10 TYR N N 10 118.230 118.230 119.823 -1.593 25174
127 1 5 . 1 1 10 10 TYR HA H 10 4.623 4.623 4.660 -0.037 25174
128 1 5 . 1 1 10 10 TYR CA C 10 56.261 56.261 57.343 -1.082 25174
129 1 5 . 1 1 10 10 TYR CB C 10 38.916 38.916 38.724 0.192 25174
130 1 5 . 1 1 10 10 TYR H H 10 7.412 7.412 8.218 -0.806 25174
131 1 5 . 1 1 11 11 ARG N N 11 120.334 120.334 121.228 -0.894 25174
132 1 5 . 1 1 11 11 ARG HA H 11 4.264 4.264 4.262 0.002 25174
133 1 5 . 1 1 11 11 ARG CA C 11 56.149 56.149 57.136 -0.987 25174
134 1 5 . 1 1 11 11 ARG CB C 11 30.598 30.598 30.201 0.397 25174
135 1 5 . 1 1 11 11 ARG H H 11 8.268 8.268 8.566 -0.298 25174
136 1 5 . 1 1 12 12 CYS N N 12 121.083 121.083 121.016 0.067 25174
137 1 5 . 1 1 12 12 CYS HA H 12 4.613 4.613 4.569 0.044 25174
138 1 5 . 1 1 12 12 CYS CA C 12 56.492 56.492 59.254 -2.762 25174
139 1 5 . 1 1 12 12 CYS CB C 12 43.258 43.258 27.804 15.454 25174
140 1 5 . 1 1 12 12 CYS H H 12 8.514 8.514 8.533 -0.019 25174
141 1 6 . 1 1 4 4 SER N N 4 114.552 114.552 117.321 -2.769 25174
142 1 6 . 1 1 4 4 SER HA H 4 4.369 4.369 4.386 -0.017 25174
143 1 6 . 1 1 4 4 SER CA C 4 58.608 58.608 59.529 -0.921 25174
144 1 6 . 1 1 4 4 SER CB C 4 62.908 62.908 63.705 -0.797 25174
145 1 6 . 1 1 4 4 SER H H 4 8.554 8.554 8.315 0.239 25174
146 1 6 . 1 1 5 5 ASP N N 5 121.374 121.374 124.479 -3.105 25174
147 1 6 . 1 1 5 5 ASP HA H 5 5.096 5.096 4.914 0.182 25174
148 1 6 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.977 -2.191 25174
149 1 6 . 1 1 5 5 ASP CB C 5 40.748 40.748 41.234 -0.486 25174
150 1 6 . 1 1 5 5 ASP H H 5 7.937 7.937 7.683 0.254 25174
151 1 6 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.292 0.028 25174
152 1 6 . 1 1 6 6 PRO CA C 6 64.894 64.894 64.178 0.716 25174
153 1 6 . 1 1 6 6 PRO CB C 6 32.316 32.316 32.166 0.150 25174
154 1 6 . 1 1 10 10 TYR N N 10 118.230 118.230 120.110 -1.880 25174
155 1 6 . 1 1 10 10 TYR HA H 10 4.623 4.623 4.685 -0.062 25174
156 1 6 . 1 1 10 10 TYR CA C 10 56.261 56.261 56.881 -0.620 25174
157 1 6 . 1 1 10 10 TYR CB C 10 38.916 38.916 39.804 -0.888 25174
158 1 6 . 1 1 10 10 TYR H H 10 7.412 7.412 8.399 -0.987 25174
159 1 6 . 1 1 11 11 ARG N N 11 120.334 120.334 121.729 -1.395 25174
160 1 6 . 1 1 11 11 ARG HA H 11 4.264 4.264 4.155 0.109 25174
161 1 6 . 1 1 11 11 ARG CA C 11 56.149 56.149 57.537 -1.388 25174
162 1 6 . 1 1 11 11 ARG CB C 11 30.598 30.598 30.584 0.014 25174
163 1 6 . 1 1 11 11 ARG H H 11 8.268 8.268 8.750 -0.482 25174
164 1 6 . 1 1 12 12 CYS N N 12 121.083 121.083 120.445 0.638 25174
165 1 6 . 1 1 12 12 CYS HA H 12 4.613 4.613 4.561 0.052 25174
166 1 6 . 1 1 12 12 CYS CA C 12 56.492 56.492 59.472 -2.981 25174
167 1 6 . 1 1 12 12 CYS CB C 12 43.258 43.258 27.771 15.487 25174
168 1 6 . 1 1 12 12 CYS H H 12 8.514 8.514 8.656 -0.142 25174
169 1 7 . 1 1 4 4 SER N N 4 114.552 114.552 114.951 -0.399 25174
170 1 7 . 1 1 4 4 SER HA H 4 4.369 4.369 4.594 -0.225 25174
171 1 7 . 1 1 4 4 SER CA C 4 58.608 58.608 58.338 0.270 25174
172 1 7 . 1 1 4 4 SER CB C 4 62.908 62.908 65.371 -2.463 25174
173 1 7 . 1 1 4 4 SER H H 4 8.554 8.554 8.224 0.330 25174
174 1 7 . 1 1 5 5 ASP N N 5 121.374 121.374 126.402 -5.028 25174
175 1 7 . 1 1 5 5 ASP HA H 5 5.096 5.096 4.952 0.144 25174
176 1 7 . 1 1 5 5 ASP CA C 5 50.787 50.787 53.361 -2.574 25174
177 1 7 . 1 1 5 5 ASP CB C 5 40.748 40.748 41.104 -0.356 25174
178 1 7 . 1 1 5 5 ASP H H 5 7.937 7.937 7.683 0.254 25174
179 1 7 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.329 -0.009 25174
180 1 7 . 1 1 6 6 PRO CA C 6 64.894 64.894 63.858 1.036 25174
181 1 7 . 1 1 6 6 PRO CB C 6 32.316 32.316 32.213 0.103 25174
182 1 7 . 1 1 10 10 TYR N N 10 118.230 118.230 119.784 -1.554 25174
183 1 7 . 1 1 10 10 TYR HA H 10 4.623 4.623 4.810 -0.187 25174
184 1 7 . 1 1 10 10 TYR CA C 10 56.261 56.261 56.673 -0.412 25174
185 1 7 . 1 1 10 10 TYR CB C 10 38.916 38.916 40.313 -1.397 25174
186 1 7 . 1 1 10 10 TYR H H 10 7.412 7.412 8.261 -0.849 25174
187 1 7 . 1 1 11 11 ARG N N 11 120.334 120.334 120.910 -0.576 25174
188 1 7 . 1 1 11 11 ARG HA H 11 4.264 4.264 4.261 0.003 25174
189 1 7 . 1 1 11 11 ARG CA C 11 56.149 56.149 56.814 -0.665 25174
190 1 7 . 1 1 11 11 ARG CB C 11 30.598 30.598 30.686 -0.088 25174
191 1 7 . 1 1 11 11 ARG H H 11 8.268 8.268 8.741 -0.473 25174
192 1 7 . 1 1 12 12 CYS N N 12 121.083 121.083 123.965 -2.882 25174
193 1 7 . 1 1 12 12 CYS HA H 12 4.613 4.613 4.341 0.272 25174
194 1 7 . 1 1 12 12 CYS CA C 12 56.492 56.492 60.224 -3.732 25174
195 1 7 . 1 1 12 12 CYS CB C 12 43.258 43.258 27.277 15.981 25174
196 1 7 . 1 1 12 12 CYS H H 12 8.514 8.514 8.902 -0.388 25174
197 1 8 . 1 1 4 4 SER N N 4 114.552 114.552 117.393 -2.841 25174
198 1 8 . 1 1 4 4 SER HA H 4 4.369 4.369 4.402 -0.033 25174
199 1 8 . 1 1 4 4 SER CA C 4 58.608 58.608 59.508 -0.900 25174
200 1 8 . 1 1 4 4 SER CB C 4 62.908 62.908 63.902 -0.994 25174
201 1 8 . 1 1 4 4 SER H H 4 8.554 8.554 8.268 0.286 25174
202 1 8 . 1 1 5 5 ASP N N 5 121.374 121.374 124.610 -3.236 25174
203 1 8 . 1 1 5 5 ASP HA H 5 5.096 5.096 4.903 0.193 25174
204 1 8 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.938 -2.151 25174
205 1 8 . 1 1 5 5 ASP CB C 5 40.748 40.748 41.216 -0.468 25174
206 1 8 . 1 1 5 5 ASP H H 5 7.937 7.937 7.669 0.268 25174
207 1 8 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.287 0.033 25174
208 1 8 . 1 1 6 6 PRO CA C 6 64.894 64.894 64.153 0.741 25174
209 1 8 . 1 1 6 6 PRO CB C 6 32.316 32.316 32.167 0.149 25174
210 1 8 . 1 1 10 10 TYR N N 10 118.230 118.230 120.132 -1.902 25174
211 1 8 . 1 1 10 10 TYR HA H 10 4.623 4.623 4.700 -0.077 25174
212 1 8 . 1 1 10 10 TYR CA C 10 56.261 56.261 56.888 -0.627 25174
213 1 8 . 1 1 10 10 TYR CB C 10 38.916 38.916 39.983 -1.067 25174
214 1 8 . 1 1 10 10 TYR H H 10 7.412 7.412 8.403 -0.991 25174
215 1 8 . 1 1 11 11 ARG N N 11 120.334 120.334 122.168 -1.834 25174
216 1 8 . 1 1 11 11 ARG HA H 11 4.264 4.264 4.172 0.092 25174
217 1 8 . 1 1 11 11 ARG CA C 11 56.149 56.149 57.513 -1.364 25174
218 1 8 . 1 1 11 11 ARG CB C 11 30.598 30.598 30.384 0.214 25174
219 1 8 . 1 1 11 11 ARG H H 11 8.268 8.268 8.655 -0.387 25174
220 1 8 . 1 1 12 12 CYS N N 12 121.083 121.083 120.322 0.761 25174
221 1 8 . 1 1 12 12 CYS HA H 12 4.613 4.613 4.562 0.051 25174
222 1 8 . 1 1 12 12 CYS CA C 12 56.492 56.492 59.344 -2.852 25174
223 1 8 . 1 1 12 12 CYS CB C 12 43.258 43.258 28.449 14.809 25174
224 1 8 . 1 1 12 12 CYS H H 12 8.514 8.514 8.715 -0.201 25174
225 1 9 . 1 1 4 4 SER N N 4 114.552 114.552 118.539 -3.987 25174
226 1 9 . 1 1 4 4 SER HA H 4 4.369 4.369 4.272 0.097 25174
227 1 9 . 1 1 4 4 SER CA C 4 58.608 58.608 60.403 -1.795 25174
228 1 9 . 1 1 4 4 SER CB C 4 62.908 62.908 63.354 -0.446 25174
229 1 9 . 1 1 4 4 SER H H 4 8.554 8.554 8.369 0.185 25174
230 1 9 . 1 1 5 5 ASP N N 5 121.374 121.374 121.532 -0.158 25174
231 1 9 . 1 1 5 5 ASP HA H 5 5.096 5.096 4.830 0.266 25174
232 1 9 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.940 -2.153 25174
233 1 9 . 1 1 5 5 ASP CB C 5 40.748 40.748 41.282 -0.534 25174
234 1 9 . 1 1 5 5 ASP H H 5 7.937 7.937 7.479 0.458 25174
235 1 9 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.241 0.079 25174
236 1 9 . 1 1 6 6 PRO CA C 6 64.894 64.894 64.235 0.659 25174
237 1 9 . 1 1 6 6 PRO CB C 6 32.316 32.316 32.197 0.119 25174
238 1 9 . 1 1 10 10 TYR N N 10 118.230 118.230 120.495 -2.265 25174
239 1 9 . 1 1 10 10 TYR HA H 10 4.623 4.623 4.231 0.392 25174
240 1 9 . 1 1 10 10 TYR CA C 10 56.261 56.261 60.285 -4.024 25174
241 1 9 . 1 1 10 10 TYR CB C 10 38.916 38.916 37.631 1.285 25174
242 1 9 . 1 1 10 10 TYR H H 10 7.412 7.412 7.922 -0.510 25174
243 1 9 . 1 1 11 11 ARG N N 11 120.334 120.334 117.391 2.943 25174
244 1 9 . 1 1 11 11 ARG HA H 11 4.264 4.264 4.161 0.103 25174
245 1 9 . 1 1 11 11 ARG CA C 11 56.149 56.149 58.537 -2.388 25174
246 1 9 . 1 1 11 11 ARG CB C 11 30.598 30.598 29.893 0.705 25174
247 1 9 . 1 1 11 11 ARG H H 11 8.268 8.268 8.518 -0.250 25174
248 1 9 . 1 1 12 12 CYS N N 12 121.083 121.083 115.828 5.255 25174
249 1 9 . 1 1 12 12 CYS HA H 12 4.613 4.613 4.604 0.009 25174
250 1 9 . 1 1 12 12 CYS CA C 12 56.492 56.492 59.860 -3.368 25174
251 1 9 . 1 1 12 12 CYS CB C 12 43.258 43.258 28.023 15.235 25174
252 1 9 . 1 1 12 12 CYS H H 12 8.514 8.514 8.141 0.373 25174
253 1 10 . 1 1 4 4 SER N N 4 114.552 114.552 116.471 -1.919 25174
254 1 10 . 1 1 4 4 SER HA H 4 4.369 4.369 4.406 -0.037 25174
255 1 10 . 1 1 4 4 SER CA C 4 58.608 58.608 59.511 -0.903 25174
256 1 10 . 1 1 4 4 SER CB C 4 62.908 62.908 63.929 -1.021 25174
257 1 10 . 1 1 4 4 SER H H 4 8.554 8.554 8.249 0.305 25174
258 1 10 . 1 1 5 5 ASP N N 5 121.374 121.374 125.177 -3.803 25174
259 1 10 . 1 1 5 5 ASP HA H 5 5.096 5.096 4.916 0.180 25174
260 1 10 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.441 -1.654 25174
261 1 10 . 1 1 5 5 ASP CB C 5 40.748 40.748 40.548 0.200 25174
262 1 10 . 1 1 5 5 ASP H H 5 7.937 7.937 7.677 0.260 25174
263 1 10 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.276 0.044 25174
264 1 10 . 1 1 6 6 PRO CA C 6 64.894 64.894 64.154 0.740 25174
265 1 10 . 1 1 6 6 PRO CB C 6 32.316 32.316 32.156 0.160 25174
266 1 10 . 1 1 10 10 TYR N N 10 118.230 118.230 120.194 -1.964 25174
267 1 10 . 1 1 10 10 TYR HA H 10 4.623 4.623 4.549 0.074 25174
268 1 10 . 1 1 10 10 TYR CA C 10 56.261 56.261 56.548 -0.287 25174
269 1 10 . 1 1 10 10 TYR CB C 10 38.916 38.916 39.252 -0.336 25174
270 1 10 . 1 1 10 10 TYR H H 10 7.412 7.412 8.335 -0.923 25174
271 1 10 . 1 1 11 11 ARG N N 11 120.334 120.334 119.991 0.343 25174
272 1 10 . 1 1 11 11 ARG HA H 11 4.264 4.264 4.057 0.207 25174
273 1 10 . 1 1 11 11 ARG CA C 11 56.149 56.149 58.641 -2.491 25174
274 1 10 . 1 1 11 11 ARG CB C 11 30.598 30.598 29.884 0.714 25174
275 1 10 . 1 1 11 11 ARG H H 11 8.268 8.268 8.822 -0.555 25174
276 1 10 . 1 1 12 12 CYS N N 12 121.083 121.083 115.852 5.231 25174
277 1 10 . 1 1 12 12 CYS HA H 12 4.613 4.613 4.351 0.262 25174
278 1 10 . 1 1 12 12 CYS CA C 12 56.492 56.492 59.488 -2.996 25174
279 1 10 . 1 1 12 12 CYS CB C 12 43.258 43.258 26.481 16.777 25174
280 1 10 . 1 1 12 12 CYS H H 12 8.514 8.514 8.458 0.056 25174
281 1 11 . 1 1 4 4 SER N N 4 114.552 114.552 117.895 -3.343 25174
282 1 11 . 1 1 4 4 SER HA H 4 4.369 4.369 4.364 0.005 25174
283 1 11 . 1 1 4 4 SER CA C 4 58.608 58.608 60.110 -1.502 25174
284 1 11 . 1 1 4 4 SER CB C 4 62.908 62.908 63.334 -0.425 25174
285 1 11 . 1 1 4 4 SER H H 4 8.554 8.554 8.389 0.165 25174
286 1 11 . 1 1 5 5 ASP N N 5 121.374 121.374 121.854 -0.480 25174
287 1 11 . 1 1 5 5 ASP HA H 5 5.096 5.096 4.877 0.219 25174
288 1 11 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.541 -1.754 25174
289 1 11 . 1 1 5 5 ASP CB C 5 40.748 40.748 41.090 -0.341 25174
290 1 11 . 1 1 5 5 ASP H H 5 7.937 7.937 7.962 -0.025 25174
291 1 11 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.292 0.028 25174
292 1 11 . 1 1 6 6 PRO CA C 6 64.894 64.894 64.132 0.762 25174
293 1 11 . 1 1 6 6 PRO CB C 6 32.316 32.316 32.177 0.139 25174
294 1 11 . 1 1 10 10 TYR N N 10 118.230 118.230 119.870 -1.640 25174
295 1 11 . 1 1 10 10 TYR HA H 10 4.623 4.623 4.697 -0.074 25174
296 1 11 . 1 1 10 10 TYR CA C 10 56.261 56.261 56.988 -0.727 25174
297 1 11 . 1 1 10 10 TYR CB C 10 38.916 38.916 39.708 -0.792 25174
298 1 11 . 1 1 10 10 TYR H H 10 7.412 7.412 8.475 -1.063 25174
299 1 11 . 1 1 11 11 ARG N N 11 120.334 120.334 121.565 -1.231 25174
300 1 11 . 1 1 11 11 ARG HA H 11 4.264 4.264 4.074 0.190 25174
301 1 11 . 1 1 11 11 ARG CA C 11 56.149 56.149 57.843 -1.694 25174
302 1 11 . 1 1 11 11 ARG CB C 11 30.598 30.598 30.350 0.248 25174
303 1 11 . 1 1 11 11 ARG H H 11 8.268 8.268 8.700 -0.432 25174
304 1 11 . 1 1 12 12 CYS N N 12 121.083 121.083 119.887 1.196 25174
305 1 11 . 1 1 12 12 CYS HA H 12 4.613 4.613 4.510 0.103 25174
306 1 11 . 1 1 12 12 CYS CA C 12 56.492 56.492 59.529 -3.037 25174
307 1 11 . 1 1 12 12 CYS CB C 12 43.258 43.258 27.956 15.302 25174
308 1 11 . 1 1 12 12 CYS H H 12 8.514 8.514 8.721 -0.207 25174
309 1 12 . 1 1 4 4 SER N N 4 114.552 114.552 117.370 -2.818 25174
310 1 12 . 1 1 4 4 SER HA H 4 4.369 4.369 4.449 -0.080 25174
311 1 12 . 1 1 4 4 SER CA C 4 58.608 58.608 59.169 -0.561 25174
312 1 12 . 1 1 4 4 SER CB C 4 62.908 62.908 63.419 -0.511 25174
313 1 12 . 1 1 4 4 SER H H 4 8.554 8.554 8.281 0.273 25174
314 1 12 . 1 1 5 5 ASP N N 5 121.374 121.374 124.190 -2.816 25174
315 1 12 . 1 1 5 5 ASP HA H 5 5.096 5.096 4.820 0.276 25174
316 1 12 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.516 -1.729 25174
317 1 12 . 1 1 5 5 ASP CB C 5 40.748 40.748 41.116 -0.368 25174
318 1 12 . 1 1 5 5 ASP H H 5 7.937 7.937 7.914 0.023 25174
319 1 12 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.201 0.119 25174
320 1 12 . 1 1 6 6 PRO CA C 6 64.894 64.894 64.079 0.815 25174
321 1 12 . 1 1 6 6 PRO CB C 6 32.316 32.316 32.335 -0.019 25174
322 1 12 . 1 1 10 10 TYR N N 10 118.230 118.230 118.997 -0.767 25174
323 1 12 . 1 1 10 10 TYR HA H 10 4.623 4.623 4.669 -0.046 25174
324 1 12 . 1 1 10 10 TYR CA C 10 56.261 56.261 58.187 -1.926 25174
325 1 12 . 1 1 10 10 TYR CB C 10 38.916 38.916 39.121 -0.205 25174
326 1 12 . 1 1 10 10 TYR H H 10 7.412 7.412 8.093 -0.681 25174
327 1 12 . 1 1 11 11 ARG N N 11 120.334 120.334 119.128 1.206 25174
328 1 12 . 1 1 11 11 ARG HA H 11 4.264 4.264 4.761 -0.497 25174
329 1 12 . 1 1 11 11 ARG CA C 11 56.149 56.149 55.593 0.555 25174
330 1 12 . 1 1 11 11 ARG CB C 11 30.598 30.598 32.907 -2.308 25174
331 1 12 . 1 1 11 11 ARG H H 11 8.268 8.268 7.906 0.362 25174
332 1 12 . 1 1 12 12 CYS N N 12 121.083 121.083 119.483 1.600 25174
333 1 12 . 1 1 12 12 CYS HA H 12 4.613 4.613 4.778 -0.165 25174
334 1 12 . 1 1 12 12 CYS CA C 12 56.492 56.492 59.512 -3.020 25174
335 1 12 . 1 1 12 12 CYS CB C 12 43.258 43.258 29.060 14.198 25174
336 1 12 . 1 1 12 12 CYS H H 12 8.514 8.514 8.833 -0.319 25174
337 1 13 . 1 1 4 4 SER N N 4 114.552 114.552 118.049 -3.497 25174
338 1 13 . 1 1 4 4 SER HA H 4 4.369 4.369 4.347 0.022 25174
339 1 13 . 1 1 4 4 SER CA C 4 58.608 58.608 59.978 -1.370 25174
340 1 13 . 1 1 4 4 SER CB C 4 62.908 62.908 63.191 -0.283 25174
341 1 13 . 1 1 4 4 SER H H 4 8.554 8.554 8.261 0.293 25174
342 1 13 . 1 1 5 5 ASP N N 5 121.374 121.374 123.414 -2.040 25174
343 1 13 . 1 1 5 5 ASP HA H 5 5.096 5.096 5.006 0.090 25174
344 1 13 . 1 1 5 5 ASP CA C 5 50.787 50.787 51.846 -1.059 25174
345 1 13 . 1 1 5 5 ASP CB C 5 40.748 40.748 41.436 -0.688 25174
346 1 13 . 1 1 5 5 ASP H H 5 7.937 7.937 7.768 0.169 25174
347 1 13 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.363 -0.043 25174
348 1 13 . 1 1 6 6 PRO CA C 6 64.894 64.894 63.755 1.139 25174
349 1 13 . 1 1 6 6 PRO CB C 6 32.316 32.316 32.362 -0.046 25174
350 1 13 . 1 1 10 10 TYR N N 10 118.230 118.230 120.781 -2.551 25174
351 1 13 . 1 1 10 10 TYR HA H 10 4.623 4.623 4.807 -0.184 25174
352 1 13 . 1 1 10 10 TYR CA C 10 56.261 56.261 56.385 -0.124 25174
353 1 13 . 1 1 10 10 TYR CB C 10 38.916 38.916 39.731 -0.815 25174
354 1 13 . 1 1 10 10 TYR H H 10 7.412 7.412 8.192 -0.780 25174
355 1 13 . 1 1 11 11 ARG N N 11 120.334 120.334 120.739 -0.405 25174
356 1 13 . 1 1 11 11 ARG HA H 11 4.264 4.264 4.265 -0.001 25174
357 1 13 . 1 1 11 11 ARG CA C 11 56.149 56.149 56.655 -0.506 25174
358 1 13 . 1 1 11 11 ARG CB C 11 30.598 30.598 30.404 0.194 25174
359 1 13 . 1 1 11 11 ARG H H 11 8.268 8.268 8.480 -0.212 25174
360 1 13 . 1 1 12 12 CYS N N 12 121.083 121.083 124.486 -3.403 25174
361 1 13 . 1 1 12 12 CYS HA H 12 4.613 4.613 4.768 -0.155 25174
362 1 13 . 1 1 12 12 CYS CA C 12 56.492 56.492 58.473 -1.981 25174
363 1 13 . 1 1 12 12 CYS CB C 12 43.258 43.258 27.315 15.943 25174
364 1 13 . 1 1 12 12 CYS H H 12 8.514 8.514 8.576 -0.062 25174
365 1 14 . 1 1 4 4 SER N N 4 114.552 114.552 118.001 -3.449 25174
366 1 14 . 1 1 4 4 SER HA H 4 4.369 4.369 4.268 0.101 25174
367 1 14 . 1 1 4 4 SER CA C 4 58.608 58.608 60.166 -1.558 25174
368 1 14 . 1 1 4 4 SER CB C 4 62.908 62.908 63.599 -0.691 25174
369 1 14 . 1 1 4 4 SER H H 4 8.554 8.554 8.213 0.341 25174
370 1 14 . 1 1 5 5 ASP N N 5 121.374 121.374 122.351 -0.977 25174
371 1 14 . 1 1 5 5 ASP HA H 5 5.096 5.096 4.894 0.202 25174
372 1 14 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.708 -1.921 25174
373 1 14 . 1 1 5 5 ASP CB C 5 40.748 40.748 40.734 0.014 25174
374 1 14 . 1 1 5 5 ASP H H 5 7.937 7.937 7.617 0.320 25174
375 1 14 . 1 1 6 6 PRO HA H 6 4.320 4.320 3.998 0.322 25174
376 1 14 . 1 1 6 6 PRO CA C 6 64.894 64.894 64.397 0.497 25174
377 1 14 . 1 1 6 6 PRO CB C 6 32.316 32.316 31.915 0.401 25174
378 1 14 . 1 1 10 10 TYR N N 10 118.230 118.230 119.451 -1.221 25174
379 1 14 . 1 1 10 10 TYR HA H 10 4.623 4.623 4.534 0.089 25174
380 1 14 . 1 1 10 10 TYR CA C 10 56.261 56.261 58.648 -2.387 25174
381 1 14 . 1 1 10 10 TYR CB C 10 38.916 38.916 38.923 -0.007 25174
382 1 14 . 1 1 10 10 TYR H H 10 7.412 7.412 8.406 -0.994 25174
383 1 14 . 1 1 11 11 ARG N N 11 120.334 120.334 118.576 1.758 25174
384 1 14 . 1 1 11 11 ARG HA H 11 4.264 4.264 4.447 -0.183 25174
385 1 14 . 1 1 11 11 ARG CA C 11 56.149 56.149 56.202 -0.053 25174
386 1 14 . 1 1 11 11 ARG CB C 11 30.598 30.598 30.636 -0.038 25174
387 1 14 . 1 1 11 11 ARG H H 11 8.268 8.268 8.175 0.093 25174
388 1 14 . 1 1 12 12 CYS N N 12 121.083 121.083 118.084 2.999 25174
389 1 14 . 1 1 12 12 CYS HA H 12 4.613 4.613 4.692 -0.079 25174
390 1 14 . 1 1 12 12 CYS CA C 12 56.492 56.492 57.623 -1.131 25174
391 1 14 . 1 1 12 12 CYS CB C 12 43.258 43.258 25.372 17.886 25174
392 1 14 . 1 1 12 12 CYS H H 12 8.514 8.514 8.130 0.384 25174
393 1 15 . 1 1 4 4 SER N N 4 114.552 114.552 117.029 -2.477 25174
394 1 15 . 1 1 4 4 SER HA H 4 4.369 4.369 4.381 -0.012 25174
395 1 15 . 1 1 4 4 SER CA C 4 58.608 58.608 59.634 -1.026 25174
396 1 15 . 1 1 4 4 SER CB C 4 62.908 62.908 63.607 -0.699 25174
397 1 15 . 1 1 4 4 SER H H 4 8.554 8.554 8.307 0.247 25174
398 1 15 . 1 1 5 5 ASP N N 5 121.374 121.374 125.133 -3.759 25174
399 1 15 . 1 1 5 5 ASP HA H 5 5.096 5.096 4.965 0.131 25174
400 1 15 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.926 -2.139 25174
401 1 15 . 1 1 5 5 ASP CB C 5 40.748 40.748 41.239 -0.491 25174
402 1 15 . 1 1 5 5 ASP H H 5 7.937 7.937 7.657 0.280 25174
403 1 15 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.337 -0.017 25174
404 1 15 . 1 1 6 6 PRO CA C 6 64.894 64.894 64.125 0.769 25174
405 1 15 . 1 1 6 6 PRO CB C 6 32.316 32.316 32.386 -0.070 25174
406 1 15 . 1 1 10 10 TYR N N 10 118.230 118.230 119.954 -1.724 25174
407 1 15 . 1 1 10 10 TYR HA H 10 4.623 4.623 4.389 0.234 25174
408 1 15 . 1 1 10 10 TYR CA C 10 56.261 56.261 59.195 -2.934 25174
409 1 15 . 1 1 10 10 TYR CB C 10 38.916 38.916 38.753 0.163 25174
410 1 15 . 1 1 10 10 TYR H H 10 7.412 7.412 8.536 -1.124 25174
411 1 15 . 1 1 11 11 ARG N N 11 120.334 120.334 117.084 3.250 25174
412 1 15 . 1 1 11 11 ARG HA H 11 4.264 4.264 4.343 -0.079 25174
413 1 15 . 1 1 11 11 ARG CA C 11 56.149 56.149 56.200 -0.051 25174
414 1 15 . 1 1 11 11 ARG CB C 11 30.598 30.598 29.634 0.964 25174
415 1 15 . 1 1 11 11 ARG H H 11 8.268 8.268 8.643 -0.374 25174
416 1 15 . 1 1 12 12 CYS N N 12 121.083 121.083 119.086 1.997 25174
417 1 15 . 1 1 12 12 CYS HA H 12 4.613 4.613 4.302 0.311 25174
418 1 15 . 1 1 12 12 CYS CA C 12 56.492 56.492 60.472 -3.980 25174
419 1 15 . 1 1 12 12 CYS CB C 12 43.258 43.258 26.982 16.276 25174
420 1 15 . 1 1 12 12 CYS H H 12 8.514 8.514 8.355 0.159 25174
421 1 16 . 1 1 4 4 SER N N 4 114.552 114.552 117.211 -2.659 25174
422 1 16 . 1 1 4 4 SER HA H 4 4.369 4.369 4.328 0.041 25174
423 1 16 . 1 1 4 4 SER CA C 4 58.608 58.608 59.871 -1.263 25174
424 1 16 . 1 1 4 4 SER CB C 4 62.908 62.908 63.191 -0.284 25174
425 1 16 . 1 1 4 4 SER H H 4 8.554 8.554 8.184 0.370 25174
426 1 16 . 1 1 5 5 ASP N N 5 121.374 121.374 118.560 2.814 25174
427 1 16 . 1 1 5 5 ASP HA H 5 5.096 5.096 4.951 0.145 25174
428 1 16 . 1 1 5 5 ASP CA C 5 50.787 50.787 51.576 -0.789 25174
429 1 16 . 1 1 5 5 ASP CB C 5 40.748 40.748 41.443 -0.695 25174
430 1 16 . 1 1 5 5 ASP H H 5 7.937 7.937 7.664 0.273 25174
431 1 16 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.173 0.147 25174
432 1 16 . 1 1 6 6 PRO CA C 6 64.894 64.894 64.076 0.817 25174
433 1 16 . 1 1 6 6 PRO CB C 6 32.316 32.316 32.016 0.300 25174
434 1 16 . 1 1 10 10 TYR N N 10 118.230 118.230 122.623 -4.393 25174
435 1 16 . 1 1 10 10 TYR HA H 10 4.623 4.623 4.283 0.340 25174
436 1 16 . 1 1 10 10 TYR CA C 10 56.261 56.261 59.604 -3.343 25174
437 1 16 . 1 1 10 10 TYR CB C 10 38.916 38.916 37.768 1.148 25174
438 1 16 . 1 1 10 10 TYR H H 10 7.412 7.412 7.540 -0.128 25174
439 1 16 . 1 1 11 11 ARG N N 11 120.334 120.334 120.263 0.071 25174
440 1 16 . 1 1 11 11 ARG HA H 11 4.264 4.264 4.027 0.237 25174
441 1 16 . 1 1 11 11 ARG CA C 11 56.149 56.149 58.818 -2.669 25174
442 1 16 . 1 1 11 11 ARG CB C 11 30.598 30.598 29.551 1.047 25174
443 1 16 . 1 1 11 11 ARG H H 11 8.268 8.268 8.416 -0.148 25174
444 1 16 . 1 1 12 12 CYS N N 12 121.083 121.083 116.203 4.880 25174
445 1 16 . 1 1 12 12 CYS HA H 12 4.613 4.613 4.316 0.297 25174
446 1 16 . 1 1 12 12 CYS CA C 12 56.492 56.492 60.150 -3.658 25174
447 1 16 . 1 1 12 12 CYS CB C 12 43.258 43.258 26.993 16.265 25174
448 1 16 . 1 1 12 12 CYS H H 12 8.514 8.514 8.168 0.346 25174
449 1 17 . 1 1 4 4 SER N N 4 114.552 114.552 117.019 -2.467 25174
450 1 17 . 1 1 4 4 SER HA H 4 4.369 4.369 4.357 0.012 25174
451 1 17 . 1 1 4 4 SER CA C 4 58.608 58.608 59.168 -0.560 25174
452 1 17 . 1 1 4 4 SER CB C 4 62.908 62.908 63.502 -0.594 25174
453 1 17 . 1 1 4 4 SER H H 4 8.554 8.554 8.252 0.302 25174
454 1 17 . 1 1 5 5 ASP N N 5 121.374 121.374 124.398 -3.024 25174
455 1 17 . 1 1 5 5 ASP HA H 5 5.096 5.096 4.934 0.162 25174
456 1 17 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.480 -1.694 25174
457 1 17 . 1 1 5 5 ASP CB C 5 40.748 40.748 41.398 -0.650 25174
458 1 17 . 1 1 5 5 ASP H H 5 7.937 7.937 7.871 0.066 25174
459 1 17 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.077 0.243 25174
460 1 17 . 1 1 6 6 PRO CA C 6 64.894 64.894 64.446 0.448 25174
461 1 17 . 1 1 6 6 PRO CB C 6 32.316 32.316 31.884 0.432 25174
462 1 17 . 1 1 10 10 TYR N N 10 118.230 118.230 120.020 -1.790 25174
463 1 17 . 1 1 10 10 TYR HA H 10 4.623 4.623 4.356 0.267 25174
464 1 17 . 1 1 10 10 TYR CA C 10 56.261 56.261 58.918 -2.657 25174
465 1 17 . 1 1 10 10 TYR CB C 10 38.916 38.916 38.335 0.581 25174
466 1 17 . 1 1 10 10 TYR H H 10 7.412 7.412 7.587 -0.175 25174
467 1 17 . 1 1 11 11 ARG N N 11 120.334 120.334 118.426 1.908 25174
468 1 17 . 1 1 11 11 ARG HA H 11 4.264 4.264 4.561 -0.297 25174
469 1 17 . 1 1 11 11 ARG CA C 11 56.149 56.149 55.810 0.339 25174
470 1 17 . 1 1 11 11 ARG CB C 11 30.598 30.598 31.405 -0.807 25174
471 1 17 . 1 1 11 11 ARG H H 11 8.268 8.268 7.965 0.303 25174
472 1 17 . 1 1 12 12 CYS N N 12 121.083 121.083 121.840 -0.757 25174
473 1 17 . 1 1 12 12 CYS HA H 12 4.613 4.613 4.806 -0.193 25174
474 1 17 . 1 1 12 12 CYS CA C 12 56.492 56.492 58.033 -1.541 25174
475 1 17 . 1 1 12 12 CYS CB C 12 43.258 43.258 27.974 15.284 25174
476 1 17 . 1 1 12 12 CYS H H 12 8.514 8.514 8.789 -0.275 25174
477 1 18 . 1 1 4 4 SER N N 4 114.552 114.552 117.903 -3.351 25174
478 1 18 . 1 1 4 4 SER HA H 4 4.369 4.369 4.220 0.149 25174
479 1 18 . 1 1 4 4 SER CA C 4 58.608 58.608 59.928 -1.320 25174
480 1 18 . 1 1 4 4 SER CB C 4 62.908 62.908 63.332 -0.424 25174
481 1 18 . 1 1 4 4 SER H H 4 8.554 8.554 8.253 0.301 25174
482 1 18 . 1 1 5 5 ASP N N 5 121.374 121.374 121.697 -0.323 25174
483 1 18 . 1 1 5 5 ASP HA H 5 5.096 5.096 4.786 0.310 25174
484 1 18 . 1 1 5 5 ASP CA C 5 50.787 50.787 53.018 -2.231 25174
485 1 18 . 1 1 5 5 ASP CB C 5 40.748 40.748 41.226 -0.478 25174
486 1 18 . 1 1 5 5 ASP H H 5 7.937 7.937 7.460 0.477 25174
487 1 18 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.226 0.094 25174
488 1 18 . 1 1 6 6 PRO CA C 6 64.894 64.894 64.151 0.743 25174
489 1 18 . 1 1 6 6 PRO CB C 6 32.316 32.316 32.172 0.144 25174
490 1 18 . 1 1 10 10 TYR N N 10 118.230 118.230 120.855 -2.625 25174
491 1 18 . 1 1 10 10 TYR HA H 10 4.623 4.623 4.327 0.296 25174
492 1 18 . 1 1 10 10 TYR CA C 10 56.261 56.261 59.963 -3.702 25174
493 1 18 . 1 1 10 10 TYR CB C 10 38.916 38.916 37.733 1.183 25174
494 1 18 . 1 1 10 10 TYR H H 10 7.412 7.412 7.524 -0.112 25174
495 1 18 . 1 1 11 11 ARG N N 11 120.334 120.334 117.864 2.470 25174
496 1 18 . 1 1 11 11 ARG HA H 11 4.264 4.264 4.076 0.188 25174
497 1 18 . 1 1 11 11 ARG CA C 11 56.149 56.149 58.441 -2.292 25174
498 1 18 . 1 1 11 11 ARG CB C 11 30.598 30.598 29.247 1.351 25174
499 1 18 . 1 1 11 11 ARG H H 11 8.268 8.268 8.293 -0.025 25174
500 1 18 . 1 1 12 12 CYS N N 12 121.083 121.083 115.820 5.263 25174
501 1 18 . 1 1 12 12 CYS HA H 12 4.613 4.613 4.412 0.201 25174
502 1 18 . 1 1 12 12 CYS CA C 12 56.492 56.492 60.092 -3.600 25174
503 1 18 . 1 1 12 12 CYS CB C 12 43.258 43.258 27.220 16.038 25174
504 1 18 . 1 1 12 12 CYS H H 12 8.514 8.514 8.040 0.474 25174
505 1 19 . 1 1 4 4 SER N N 4 114.552 114.552 117.847 -3.295 25174
506 1 19 . 1 1 4 4 SER HA H 4 4.369 4.369 4.323 0.046 25174
507 1 19 . 1 1 4 4 SER CA C 4 58.608 58.608 59.790 -1.182 25174
508 1 19 . 1 1 4 4 SER CB C 4 62.908 62.908 63.254 -0.346 25174
509 1 19 . 1 1 4 4 SER H H 4 8.554 8.554 8.140 0.414 25174
510 1 19 . 1 1 5 5 ASP N N 5 121.374 121.374 119.957 1.417 25174
511 1 19 . 1 1 5 5 ASP HA H 5 5.096 5.096 4.903 0.193 25174
512 1 19 . 1 1 5 5 ASP CA C 5 50.787 50.787 51.709 -0.923 25174
513 1 19 . 1 1 5 5 ASP CB C 5 40.748 40.748 41.989 -1.242 25174
514 1 19 . 1 1 5 5 ASP H H 5 7.937 7.937 7.629 0.308 25174
515 1 19 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.185 0.135 25174
516 1 19 . 1 1 6 6 PRO CA C 6 64.894 64.894 64.116 0.778 25174
517 1 19 . 1 1 6 6 PRO CB C 6 32.316 32.316 32.082 0.234 25174
518 1 19 . 1 1 10 10 TYR N N 10 118.230 118.230 122.748 -4.518 25174
519 1 19 . 1 1 10 10 TYR HA H 10 4.623 4.623 4.394 0.229 25174
520 1 19 . 1 1 10 10 TYR CA C 10 56.261 56.261 59.828 -3.567 25174
521 1 19 . 1 1 10 10 TYR CB C 10 38.916 38.916 37.710 1.206 25174
522 1 19 . 1 1 10 10 TYR H H 10 7.412 7.412 7.454 -0.042 25174
523 1 19 . 1 1 11 11 ARG N N 11 120.334 120.334 119.603 0.731 25174
524 1 19 . 1 1 11 11 ARG HA H 11 4.264 4.264 4.102 0.162 25174
525 1 19 . 1 1 11 11 ARG CA C 11 56.149 56.149 58.231 -2.082 25174
526 1 19 . 1 1 11 11 ARG CB C 11 30.598 30.598 29.431 1.167 25174
527 1 19 . 1 1 11 11 ARG H H 11 8.268 8.268 8.345 -0.077 25174
528 1 19 . 1 1 12 12 CYS N N 12 121.083 121.083 116.993 4.090 25174
529 1 19 . 1 1 12 12 CYS HA H 12 4.613 4.613 4.352 0.261 25174
530 1 19 . 1 1 12 12 CYS CA C 12 56.492 56.492 60.251 -3.759 25174
531 1 19 . 1 1 12 12 CYS CB C 12 43.258 43.258 27.268 15.990 25174
532 1 19 . 1 1 12 12 CYS H H 12 8.514 8.514 8.123 0.391 25174
533 1 20 . 1 1 4 4 SER N N 4 114.552 114.552 117.731 -3.179 25174
534 1 20 . 1 1 4 4 SER HA H 4 4.369 4.369 4.281 0.088 25174
535 1 20 . 1 1 4 4 SER CA C 4 58.608 58.608 60.129 -1.521 25174
536 1 20 . 1 1 4 4 SER CB C 4 62.908 62.908 63.111 -0.203 25174
537 1 20 . 1 1 4 4 SER H H 4 8.554 8.554 8.282 0.272 25174
538 1 20 . 1 1 5 5 ASP N N 5 121.374 121.374 122.629 -1.255 25174
539 1 20 . 1 1 5 5 ASP HA H 5 5.096 5.096 4.831 0.265 25174
540 1 20 . 1 1 5 5 ASP CA C 5 50.787 50.787 53.101 -2.314 25174
541 1 20 . 1 1 5 5 ASP CB C 5 40.748 40.748 40.947 -0.199 25174
542 1 20 . 1 1 5 5 ASP H H 5 7.937 7.937 7.544 0.393 25174
543 1 20 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.152 0.168 25174
544 1 20 . 1 1 6 6 PRO CA C 6 64.894 64.894 64.422 0.472 25174
545 1 20 . 1 1 6 6 PRO CB C 6 32.316 32.316 31.972 0.344 25174
546 1 20 . 1 1 10 10 TYR N N 10 118.230 118.230 120.230 -2.000 25174
547 1 20 . 1 1 10 10 TYR HA H 10 4.623 4.623 4.277 0.346 25174
548 1 20 . 1 1 10 10 TYR CA C 10 56.261 56.261 60.079 -3.818 25174
549 1 20 . 1 1 10 10 TYR CB C 10 38.916 38.916 38.123 0.792 25174
550 1 20 . 1 1 10 10 TYR H H 10 7.412 7.412 7.722 -0.310 25174
551 1 20 . 1 1 11 11 ARG N N 11 120.334 120.334 117.872 2.462 25174
552 1 20 . 1 1 11 11 ARG HA H 11 4.264 4.264 4.161 0.103 25174
553 1 20 . 1 1 11 11 ARG CA C 11 56.149 56.149 58.193 -2.044 25174
554 1 20 . 1 1 11 11 ARG CB C 11 30.598 30.598 29.346 1.252 25174
555 1 20 . 1 1 11 11 ARG H H 11 8.268 8.268 8.396 -0.128 25174
556 1 20 . 1 1 12 12 CYS N N 12 121.083 121.083 116.683 4.400 25174
557 1 20 . 1 1 12 12 CYS HA H 12 4.613 4.613 4.361 0.252 25174
558 1 20 . 1 1 12 12 CYS CA C 12 56.492 56.492 59.920 -3.428 25174
559 1 20 . 1 1 12 12 CYS CB C 12 43.258 43.258 27.537 15.721 25174
560 1 20 . 1 1 12 12 CYS H H 12 8.514 8.514 8.266 0.248 25174
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 2.374 0.923 2.446 25174
2 1 1 "Average Difference" HA 6 0.133 -0.113 0.078 25174
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25174
4 1 1 "Average Difference" CA 6 1.624 1.192 1.209 25174
5 1 1 "Average Difference" CB 6 7.687 -3.085 7.712 25174
6 1 1 "Average Difference" HN 5 0.532 0.218 0.542 25174
7 1 2 "Average Difference" N 5 2.575 0.328 2.855 25174
8 1 2 "Average Difference" HA 6 0.183 -0.130 0.142 25174
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25174
10 1 2 "Average Difference" CA 6 1.925 1.508 1.311 25174
11 1 2 "Average Difference" CB 6 6.648 -2.628 6.689 25174
12 1 2 "Average Difference" HN 5 0.565 0.230 0.577 25174
13 1 3 "Average Difference" N 5 2.702 2.364 1.463 25174
14 1 3 "Average Difference" HA 6 0.073 0.009 0.079 25174
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25174
16 1 3 "Average Difference" CA 6 1.289 0.811 1.097 25174
17 1 3 "Average Difference" CB 6 6.600 -2.607 6.643 25174
18 1 3 "Average Difference" HN 5 0.456 0.146 0.483 25174
19 1 4 "Average Difference" N 5 2.557 0.415 2.820 25174
20 1 4 "Average Difference" HA 6 0.160 -0.117 0.119 25174
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25174
22 1 4 "Average Difference" CA 6 2.050 1.459 1.578 25174
23 1 4 "Average Difference" CB 6 6.681 -2.676 6.706 25174
24 1 4 "Average Difference" HN 5 0.571 0.291 0.550 25174
25 1 5 "Average Difference" N 5 1.956 1.584 1.284 25174
26 1 5 "Average Difference" HA 6 0.048 -0.025 0.045 25174
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25174
28 1 5 "Average Difference" CA 6 1.507 0.995 1.240 25174
29 1 5 "Average Difference" CB 6 6.317 -2.512 6.350 25174
30 1 5 "Average Difference" HN 5 0.408 0.137 0.430 25174
31 1 6 "Average Difference" N 5 2.154 1.702 1.476 25174
32 1 6 "Average Difference" HA 6 0.094 -0.049 0.088 25174
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25174
34 1 6 "Average Difference" CA 6 1.701 1.231 1.286 25174
35 1 6 "Average Difference" CB 6 6.345 -2.247 6.500 25174
36 1 6 "Average Difference" HN 5 0.519 0.224 0.524 25174
37 1 7 "Average Difference" N 5 2.702 2.088 1.917 25174
38 1 7 "Average Difference" HA 6 0.173 0.000 0.190 25174
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25174
40 1 7 "Average Difference" CA 6 1.928 1.013 1.798 25174
41 1 7 "Average Difference" CB 6 6.628 -1.963 6.934 25174
42 1 7 "Average Difference" HN 5 0.504 0.225 0.504 25174
43 1 8 "Average Difference" N 5 2.285 1.810 1.558 25174
44 1 8 "Average Difference" HA 6 0.097 -0.043 0.095 25174
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25174
46 1 8 "Average Difference" CA 6 1.652 1.192 1.253 25174
47 1 8 "Average Difference" CB 6 6.079 -2.107 6.246 25174
48 1 8 "Average Difference" HN 5 0.515 0.205 0.528 25174
49 1 9 "Average Difference" N 5 3.386 -0.358 3.765 25174
50 1 9 "Average Difference" HA 6 0.204 -0.158 0.143 25174
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25174
52 1 9 "Average Difference" CA 6 2.631 2.178 1.616 25174
53 1 9 "Average Difference" CB 6 6.255 -2.727 6.167 25174
54 1 9 "Average Difference" HN 5 0.376 -0.051 0.416 25174
55 1 10 "Average Difference" N 5 3.146 0.422 3.485 25174
56 1 10 "Average Difference" HA 6 0.159 -0.122 0.113 25174
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25174
58 1 10 "Average Difference" CA 6 1.797 1.265 1.397 25174
59 1 10 "Average Difference" CB 6 6.870 -2.749 6.897 25174
60 1 10 "Average Difference" HN 5 0.515 0.171 0.543 25174
61 1 11 "Average Difference" N 5 1.846 1.100 1.658 25174
62 1 11 "Average Difference" HA 6 0.130 -0.078 0.113 25174
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25174
64 1 11 "Average Difference" CA 6 1.758 1.325 1.265 25174
65 1 11 "Average Difference" CB 6 6.261 -2.355 6.354 25174
66 1 11 "Average Difference" HN 5 0.527 0.312 0.474 25174
67 1 12 "Average Difference" N 5 2.024 0.719 2.115 25174
68 1 12 "Average Difference" HA 6 0.249 0.065 0.263 25174
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25174
70 1 12 "Average Difference" CA 6 1.689 0.978 1.508 25174
71 1 12 "Average Difference" CB 6 5.879 -1.798 6.131 25174
72 1 12 "Average Difference" HN 5 0.393 0.068 0.432 25174
73 1 13 "Average Difference" N 5 2.632 2.379 1.259 25174
74 1 13 "Average Difference" HA 6 0.107 0.045 0.106 25174
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25174
76 1 13 "Average Difference" CA 6 1.190 0.650 1.091 25174
77 1 13 "Average Difference" CB 6 6.525 -2.384 6.653 25174
78 1 13 "Average Difference" HN 5 0.393 0.118 0.419 25174
79 1 14 "Average Difference" N 5 2.299 0.178 2.563 25174
80 1 14 "Average Difference" HA 6 0.183 -0.075 0.183 25174
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25174
82 1 14 "Average Difference" CA 6 1.491 1.092 1.112 25174
83 1 14 "Average Difference" CB 6 7.309 -2.927 7.337 25174
84 1 14 "Average Difference" HN 5 0.522 -0.029 0.583 25174
85 1 15 "Average Difference" N 5 2.749 0.543 3.013 25174
86 1 15 "Average Difference" HA 6 0.171 -0.095 0.156 25174
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25174
88 1 15 "Average Difference" CA 6 2.261 1.560 1.793 25174
89 1 15 "Average Difference" CB 6 6.666 -2.690 6.681 25174
90 1 15 "Average Difference" HN 5 0.560 0.163 0.599 25174
91 1 16 "Average Difference" N 5 3.409 -0.143 3.808 25174
92 1 16 "Average Difference" HA 6 0.225 -0.201 0.111 25174
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25174
94 1 16 "Average Difference" CA 6 2.400 1.818 1.718 25174
95 1 16 "Average Difference" CB 6 6.678 -2.964 6.556 25174
96 1 16 "Average Difference" HN 5 0.272 -0.143 0.259 25174
97 1 17 "Average Difference" N 5 2.128 1.226 1.945 25174
98 1 17 "Average Difference" HA 6 0.217 -0.032 0.235 25174
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25174
100 1 17 "Average Difference" CA 6 1.468 0.944 1.232 25174
101 1 17 "Average Difference" CB 6 6.266 -2.374 6.352 25174
102 1 17 "Average Difference" HN 5 0.242 -0.044 0.266 25174
103 1 18 "Average Difference" N 5 3.226 -0.287 3.592 25174
104 1 18 "Average Difference" HA 6 0.220 -0.206 0.084 25174
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25174
106 1 18 "Average Difference" CA 6 2.556 2.067 1.647 25174
107 1 18 "Average Difference" CB 6 6.594 -2.969 6.450 25174
108 1 18 "Average Difference" HN 5 0.334 -0.223 0.277 25174
109 1 19 "Average Difference" N 5 3.179 0.315 3.537 25174
110 1 19 "Average Difference" HA 6 0.184 -0.171 0.076 25174
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25174
112 1 19 "Average Difference" CA 6 2.382 1.789 1.723 25174
113 1 19 "Average Difference" CB 6 6.585 -2.835 6.511 25174
114 1 19 "Average Difference" HN 5 0.292 -0.199 0.239 25174
115 1 20 "Average Difference" N 5 2.867 -0.086 3.204 25174
116 1 20 "Average Difference" HA 6 0.224 -0.204 0.101 25174
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25174
118 1 20 "Average Difference" CA 6 2.530 2.109 1.531 25174
119 1 20 "Average Difference" CB 6 6.449 -2.951 6.282 25174
120 1 20 "Average Difference" HN 5 0.284 -0.095 0.299 25174
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 25174
_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 4 4 SER N N 4 114.552 114.552 117.412 -2.860 25174
2 1 . 1 1 4 4 SER HA H 4 4.369 4.369 4.359 0.010 25174
3 1 . 1 1 4 4 SER CA C 4 58.608 58.608 59.763 -1.155 25174
4 1 . 1 1 4 4 SER CB C 4 62.908 62.908 63.528 -0.620 25174
5 1 . 1 1 4 4 SER H H 4 8.554 8.554 8.278 0.276 25174
6 1 . 1 1 5 5 ASP N N 5 121.374 121.374 123.224 -1.850 25174
7 1 . 1 1 5 5 ASP HA H 5 5.096 5.096 4.908 0.188 25174
8 1 . 1 1 5 5 ASP CA C 5 50.787 50.787 52.474 -1.687 25174
9 1 . 1 1 5 5 ASP CB C 5 40.748 40.748 41.192 -0.444 25174
10 1 . 1 1 5 5 ASP H H 5 7.937 7.937 7.694 0.243 25174
11 1 . 1 1 6 6 PRO HA H 6 4.320 4.320 4.255 0.065 25174
12 1 . 1 1 6 6 PRO CA C 6 64.894 64.894 64.068 0.826 25174
13 1 . 1 1 6 6 PRO CB C 6 32.316 32.316 32.185 0.131 25174
14 1 . 1 1 10 10 TYR N N 10 118.230 118.230 120.381 -2.151 25174
15 1 . 1 1 10 10 TYR HA H 10 4.623 4.623 4.520 0.103 25174
16 1 . 1 1 10 10 TYR CA C 10 56.261 56.261 58.193 -1.932 25174
17 1 . 1 1 10 10 TYR CB C 10 38.916 38.916 38.899 0.016 25174
18 1 . 1 1 10 10 TYR H H 10 7.412 7.412 8.129 -0.717 25174
19 1 . 1 1 11 11 ARG N N 11 120.334 120.334 119.570 0.764 25174
20 1 . 1 1 11 11 ARG HA H 11 4.264 4.264 4.225 0.039 25174
21 1 . 1 1 11 11 ARG CA C 11 56.149 56.149 57.418 -1.270 25174
22 1 . 1 1 11 11 ARG CB C 11 30.598 30.598 30.226 0.372 25174
23 1 . 1 1 11 11 ARG H H 11 8.268 8.268 8.530 -0.262 25174
24 1 . 1 1 12 12 CYS N N 12 121.083 121.083 119.292 1.791 25174
25 1 . 1 1 12 12 CYS HA H 12 4.613 4.613 4.508 0.105 25174
26 1 . 1 1 12 12 CYS CA C 12 56.492 56.492 59.426 -2.935 25174
27 1 . 1 1 12 12 CYS CB C 12 43.258 43.258 27.249 16.009 25174
28 1 . 1 1 12 12 CYS H H 12 8.514 8.514 8.485 0.029 25174
stop_
save_