data_25971
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25971
_Entry.PDB_ID 2NBC
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 25971
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 CYS N N 2 121.932 121.932 124.057 -2.125 25971
2 1 1 . 1 1 2 2 CYS HA H 2 4.595 4.595 4.655 -0.060 25971
3 1 1 . 1 1 2 2 CYS CA C 2 53.107 53.107 57.760 -4.653 25971
4 1 1 . 1 1 2 2 CYS CB C 2 40.932 40.932 31.516 9.416 25971
5 1 1 . 1 1 2 2 CYS H H 2 8.107 8.107 8.042 0.065 25971
6 1 1 . 1 1 3 3 ALA N N 3 126.160 126.160 122.940 3.220 25971
7 1 1 . 1 1 3 3 ALA HA H 3 3.913 3.913 4.021 -0.108 25971
8 1 1 . 1 1 3 3 ALA CA C 3 52.174 52.174 52.850 -0.676 25971
9 1 1 . 1 1 3 3 ALA CB C 3 19.322 19.322 18.926 0.396 25971
10 1 1 . 1 1 3 3 ALA H H 3 8.281 8.281 8.625 -0.344 25971
11 1 1 . 1 1 4 4 SER N N 4 114.350 114.350 117.081 -2.731 25971
12 1 1 . 1 1 4 4 SER HA H 4 4.068 4.068 4.005 0.063 25971
13 1 1 . 1 1 4 4 SER CA C 4 60.061 60.061 58.783 1.278 25971
14 1 1 . 1 1 4 4 SER CB C 4 62.898 62.898 62.581 0.316 25971
15 1 1 . 1 1 4 4 SER H H 4 8.292 8.292 8.870 -0.578 25971
16 1 1 . 1 1 5 5 GLY N N 5 112.193 112.193 106.238 5.955 25971
17 1 1 . 1 1 5 5 GLY CA C 5 45.201 45.201 45.524 -0.323 25971
18 1 1 . 1 1 5 5 GLY H H 5 8.618 8.618 7.371 1.247 25971
19 1 1 . 1 1 6 6 CYS N N 6 118.252 118.252 117.124 1.128 25971
20 1 1 . 1 1 6 6 CYS HA H 6 4.998 4.998 4.070 0.928 25971
21 1 1 . 1 1 6 6 CYS CA C 6 55.916 55.916 60.636 -4.720 25971
22 1 1 . 1 1 6 6 CYS CB C 6 47.041 47.041 27.669 19.372 25971
23 1 1 . 1 1 6 6 CYS H H 6 7.941 7.941 7.698 0.243 25971
24 1 1 . 1 1 7 7 ARG N N 7 121.253 121.253 120.732 0.521 25971
25 1 1 . 1 1 7 7 ARG HA H 7 4.461 4.461 4.528 -0.067 25971
26 1 1 . 1 1 7 7 ARG CA C 7 55.039 55.039 54.619 0.420 25971
27 1 1 . 1 1 7 7 ARG CB C 7 32.252 32.252 32.039 0.213 25971
28 1 1 . 1 1 7 7 ARG H H 7 8.626 8.626 7.953 0.673 25971
29 1 1 . 1 1 8 8 LYS N N 8 123.490 123.490 123.014 0.476 25971
30 1 1 . 1 1 8 8 LYS HA H 8 4.361 4.361 4.854 -0.493 25971
31 1 1 . 1 1 8 8 LYS CA C 8 56.880 56.880 56.293 0.587 25971
32 1 1 . 1 1 8 8 LYS CB C 8 32.958 32.958 33.689 -0.731 25971
33 1 1 . 1 1 8 8 LYS H H 8 8.450 8.450 8.466 -0.016 25971
34 1 1 . 1 1 9 9 LYS N N 9 124.147 124.147 121.105 3.042 25971
35 1 1 . 1 1 9 9 LYS HA H 9 4.295 4.295 4.656 -0.361 25971
36 1 1 . 1 1 9 9 LYS CA C 9 55.640 55.640 54.660 0.980 25971
37 1 1 . 1 1 9 9 LYS CB C 9 33.301 33.301 34.399 -1.098 25971
38 1 1 . 1 1 9 9 LYS H H 9 8.035 8.035 8.203 -0.168 25971
39 1 1 . 1 1 10 10 ARG N N 10 122.770 122.770 121.828 0.942 25971
40 1 1 . 1 1 10 10 ARG HA H 10 3.915 3.915 4.095 -0.180 25971
41 1 1 . 1 1 10 10 ARG CA C 10 58.177 58.177 58.426 -0.249 25971
42 1 1 . 1 1 10 10 ARG CB C 10 30.043 30.043 30.109 -0.066 25971
43 1 1 . 1 1 10 10 ARG H H 10 8.587 8.587 8.825 -0.238 25971
44 1 1 . 1 1 11 11 HIS N N 11 115.588 115.588 113.877 1.711 25971
45 1 1 . 1 1 11 11 HIS HA H 11 4.608 4.608 4.416 0.192 25971
46 1 1 . 1 1 11 11 HIS CA C 11 55.459 55.459 56.156 -0.696 25971
47 1 1 . 1 1 11 11 HIS CB C 11 28.133 28.133 30.011 -1.878 25971
48 1 1 . 1 1 11 11 HIS H H 11 8.513 8.513 8.312 0.201 25971
49 1 1 . 1 1 12 12 GLY N N 12 108.461 108.461 106.729 1.732 25971
50 1 1 . 1 1 12 12 GLY CA C 12 45.018 45.018 45.096 -0.078 25971
51 1 1 . 1 1 12 12 GLY H H 12 7.823 7.823 8.085 -0.262 25971
52 1 1 . 1 1 13 13 GLY N N 13 108.511 108.511 108.231 0.280 25971
53 1 1 . 1 1 13 13 GLY CA C 13 44.621 44.621 44.586 0.035 25971
54 1 1 . 1 1 13 13 GLY H H 13 8.064 8.064 8.096 -0.032 25971
55 1 1 . 1 1 14 14 CYS N N 14 118.343 118.343 117.076 1.267 25971
56 1 1 . 1 1 14 14 CYS HA H 14 5.069 5.069 5.318 -0.249 25971
57 1 1 . 1 1 14 14 CYS CA C 14 54.878 54.878 57.607 -2.729 25971
58 1 1 . 1 1 14 14 CYS CB C 14 43.567 43.567 30.265 13.303 25971
59 1 1 . 1 1 14 14 CYS H H 14 8.539 8.539 8.121 0.418 25971
60 1 1 . 1 1 15 15 SER N N 15 119.360 119.360 118.320 1.040 25971
61 1 1 . 1 1 15 15 SER HA H 15 4.623 4.623 4.854 -0.231 25971
62 1 1 . 1 1 15 15 SER CA C 15 57.394 57.394 57.622 -0.228 25971
63 1 1 . 1 1 15 15 SER CB C 15 63.882 63.882 63.758 0.124 25971
64 1 1 . 1 1 15 15 SER H H 15 9.184 9.184 8.824 0.360 25971
65 1 2 . 1 1 2 2 CYS N N 2 121.932 121.932 121.853 0.079 25971
66 1 2 . 1 1 2 2 CYS HA H 2 4.595 4.595 4.680 -0.085 25971
67 1 2 . 1 1 2 2 CYS CA C 2 53.107 53.107 57.643 -4.536 25971
68 1 2 . 1 1 2 2 CYS CB C 2 40.932 40.932 31.569 9.363 25971
69 1 2 . 1 1 2 2 CYS H H 2 8.107 8.107 7.736 0.371 25971
70 1 2 . 1 1 3 3 ALA N N 3 126.160 126.160 122.131 4.029 25971
71 1 2 . 1 1 3 3 ALA HA H 3 3.913 3.913 4.198 -0.285 25971
72 1 2 . 1 1 3 3 ALA CA C 3 52.174 52.174 52.512 -0.338 25971
73 1 2 . 1 1 3 3 ALA CB C 3 19.322 19.322 19.120 0.202 25971
74 1 2 . 1 1 3 3 ALA H H 3 8.281 8.281 8.538 -0.257 25971
75 1 2 . 1 1 4 4 SER N N 4 114.350 114.350 117.298 -2.948 25971
76 1 2 . 1 1 4 4 SER HA H 4 4.068 4.068 4.050 0.018 25971
77 1 2 . 1 1 4 4 SER CA C 4 60.061 60.061 58.353 1.708 25971
78 1 2 . 1 1 4 4 SER CB C 4 62.898 62.898 62.720 0.178 25971
79 1 2 . 1 1 4 4 SER H H 4 8.292 8.292 8.973 -0.681 25971
80 1 2 . 1 1 5 5 GLY N N 5 112.193 112.193 106.760 5.433 25971
81 1 2 . 1 1 5 5 GLY CA C 5 45.201 45.201 45.403 -0.202 25971
82 1 2 . 1 1 5 5 GLY H H 5 8.618 8.618 7.283 1.335 25971
83 1 2 . 1 1 6 6 CYS N N 6 118.252 118.252 117.356 0.896 25971
84 1 2 . 1 1 6 6 CYS HA H 6 4.998 4.998 4.160 0.838 25971
85 1 2 . 1 1 6 6 CYS CA C 6 55.916 55.916 59.766 -3.850 25971
86 1 2 . 1 1 6 6 CYS CB C 6 47.041 47.041 28.204 18.837 25971
87 1 2 . 1 1 6 6 CYS H H 6 7.941 7.941 7.546 0.395 25971
88 1 2 . 1 1 7 7 ARG N N 7 121.253 121.253 121.577 -0.324 25971
89 1 2 . 1 1 7 7 ARG HA H 7 4.461 4.461 4.458 0.003 25971
90 1 2 . 1 1 7 7 ARG CA C 7 55.039 55.039 55.567 -0.528 25971
91 1 2 . 1 1 7 7 ARG CB C 7 32.252 32.252 31.725 0.527 25971
92 1 2 . 1 1 7 7 ARG H H 7 8.626 8.626 8.118 0.508 25971
93 1 2 . 1 1 8 8 LYS N N 8 123.490 123.490 123.521 -0.031 25971
94 1 2 . 1 1 8 8 LYS HA H 8 4.361 4.361 4.392 -0.031 25971
95 1 2 . 1 1 8 8 LYS CA C 8 56.880 56.880 56.895 -0.015 25971
96 1 2 . 1 1 8 8 LYS CB C 8 32.958 32.958 33.429 -0.471 25971
97 1 2 . 1 1 8 8 LYS H H 8 8.450 8.450 8.484 -0.034 25971
98 1 2 . 1 1 9 9 LYS N N 9 124.147 124.147 120.715 3.432 25971
99 1 2 . 1 1 9 9 LYS HA H 9 4.295 4.295 4.722 -0.427 25971
100 1 2 . 1 1 9 9 LYS CA C 9 55.640 55.640 54.888 0.752 25971
101 1 2 . 1 1 9 9 LYS CB C 9 33.301 33.301 35.101 -1.800 25971
102 1 2 . 1 1 9 9 LYS H H 9 8.035 8.035 8.104 -0.069 25971
103 1 2 . 1 1 10 10 ARG N N 10 122.770 122.770 122.696 0.074 25971
104 1 2 . 1 1 10 10 ARG HA H 10 3.915 3.915 4.076 -0.161 25971
105 1 2 . 1 1 10 10 ARG CA C 10 58.177 58.177 58.285 -0.108 25971
106 1 2 . 1 1 10 10 ARG CB C 10 30.043 30.043 29.554 0.489 25971
107 1 2 . 1 1 10 10 ARG H H 10 8.587 8.587 9.038 -0.451 25971
108 1 2 . 1 1 11 11 HIS N N 11 115.588 115.588 115.943 -0.355 25971
109 1 2 . 1 1 11 11 HIS HA H 11 4.608 4.608 4.450 0.158 25971
110 1 2 . 1 1 11 11 HIS CA C 11 55.459 55.459 56.871 -1.413 25971
111 1 2 . 1 1 11 11 HIS CB C 11 28.133 28.133 30.020 -1.887 25971
112 1 2 . 1 1 11 11 HIS H H 11 8.513 8.513 8.364 0.149 25971
113 1 2 . 1 1 12 12 GLY N N 12 108.461 108.461 107.345 1.116 25971
114 1 2 . 1 1 12 12 GLY CA C 12 45.018 45.018 45.188 -0.170 25971
115 1 2 . 1 1 12 12 GLY H H 12 7.823 7.823 8.292 -0.469 25971
116 1 2 . 1 1 13 13 GLY N N 13 108.511 108.511 107.847 0.664 25971
117 1 2 . 1 1 13 13 GLY CA C 13 44.621 44.621 44.356 0.265 25971
118 1 2 . 1 1 13 13 GLY H H 13 8.064 8.064 8.035 0.029 25971
119 1 2 . 1 1 14 14 CYS N N 14 118.343 118.343 117.313 1.030 25971
120 1 2 . 1 1 14 14 CYS HA H 14 5.069 5.069 5.160 -0.091 25971
121 1 2 . 1 1 14 14 CYS CA C 14 54.878 54.878 57.453 -2.575 25971
122 1 2 . 1 1 14 14 CYS CB C 14 43.567 43.567 29.073 14.494 25971
123 1 2 . 1 1 14 14 CYS H H 14 8.539 8.539 8.120 0.419 25971
124 1 2 . 1 1 15 15 SER N N 15 119.360 119.360 119.843 -0.483 25971
125 1 2 . 1 1 15 15 SER HA H 15 4.623 4.623 4.484 0.139 25971
126 1 2 . 1 1 15 15 SER CA C 15 57.394 57.394 59.404 -2.010 25971
127 1 2 . 1 1 15 15 SER CB C 15 63.882 63.882 63.599 0.283 25971
128 1 2 . 1 1 15 15 SER H H 15 9.184 9.184 8.833 0.351 25971
129 1 3 . 1 1 2 2 CYS N N 2 121.932 121.932 122.312 -0.380 25971
130 1 3 . 1 1 2 2 CYS HA H 2 4.595 4.595 4.600 -0.005 25971
131 1 3 . 1 1 2 2 CYS CA C 2 53.107 53.107 57.931 -4.824 25971
132 1 3 . 1 1 2 2 CYS CB C 2 40.932 40.932 31.508 9.424 25971
133 1 3 . 1 1 2 2 CYS H H 2 8.107 8.107 7.784 0.323 25971
134 1 3 . 1 1 3 3 ALA N N 3 126.160 126.160 122.425 3.735 25971
135 1 3 . 1 1 3 3 ALA HA H 3 3.913 3.913 4.113 -0.200 25971
136 1 3 . 1 1 3 3 ALA CA C 3 52.174 52.174 52.579 -0.405 25971
137 1 3 . 1 1 3 3 ALA CB C 3 19.322 19.322 19.010 0.312 25971
138 1 3 . 1 1 3 3 ALA H H 3 8.281 8.281 8.585 -0.304 25971
139 1 3 . 1 1 4 4 SER N N 4 114.350 114.350 116.596 -2.246 25971
140 1 3 . 1 1 4 4 SER HA H 4 4.068 4.068 4.012 0.056 25971
141 1 3 . 1 1 4 4 SER CA C 4 60.061 60.061 58.468 1.593 25971
142 1 3 . 1 1 4 4 SER CB C 4 62.898 62.898 62.649 0.249 25971
143 1 3 . 1 1 4 4 SER H H 4 8.292 8.292 8.865 -0.573 25971
144 1 3 . 1 1 5 5 GLY N N 5 112.193 112.193 106.105 6.088 25971
145 1 3 . 1 1 5 5 GLY CA C 5 45.201 45.201 45.449 -0.248 25971
146 1 3 . 1 1 5 5 GLY H H 5 8.618 8.618 7.365 1.253 25971
147 1 3 . 1 1 6 6 CYS N N 6 118.252 118.252 117.174 1.078 25971
148 1 3 . 1 1 6 6 CYS HA H 6 4.998 4.998 4.103 0.895 25971
149 1 3 . 1 1 6 6 CYS CA C 6 55.916 55.916 60.321 -4.405 25971
150 1 3 . 1 1 6 6 CYS CB C 6 47.041 47.041 27.894 19.147 25971
151 1 3 . 1 1 6 6 CYS H H 6 7.941 7.941 7.655 0.286 25971
152 1 3 . 1 1 7 7 ARG N N 7 121.253 121.253 121.600 -0.347 25971
153 1 3 . 1 1 7 7 ARG HA H 7 4.461 4.461 4.510 -0.049 25971
154 1 3 . 1 1 7 7 ARG CA C 7 55.039 55.039 54.858 0.182 25971
155 1 3 . 1 1 7 7 ARG CB C 7 32.252 32.252 31.785 0.466 25971
156 1 3 . 1 1 7 7 ARG H H 7 8.626 8.626 8.275 0.351 25971
157 1 3 . 1 1 8 8 LYS N N 8 123.490 123.490 125.152 -1.662 25971
158 1 3 . 1 1 8 8 LYS HA H 8 4.361 4.361 4.422 -0.061 25971
159 1 3 . 1 1 8 8 LYS CA C 8 56.880 56.880 57.575 -0.695 25971
160 1 3 . 1 1 8 8 LYS CB C 8 32.958 32.958 33.181 -0.223 25971
161 1 3 . 1 1 8 8 LYS H H 8 8.450 8.450 8.656 -0.206 25971
162 1 3 . 1 1 9 9 LYS N N 9 124.147 124.147 121.050 3.097 25971
163 1 3 . 1 1 9 9 LYS HA H 9 4.295 4.295 4.691 -0.396 25971
164 1 3 . 1 1 9 9 LYS CA C 9 55.640 55.640 54.635 1.005 25971
165 1 3 . 1 1 9 9 LYS CB C 9 33.301 33.301 34.596 -1.295 25971
166 1 3 . 1 1 9 9 LYS H H 9 8.035 8.035 8.100 -0.065 25971
167 1 3 . 1 1 10 10 ARG N N 10 122.770 122.770 121.855 0.915 25971
168 1 3 . 1 1 10 10 ARG HA H 10 3.915 3.915 4.084 -0.169 25971
169 1 3 . 1 1 10 10 ARG CA C 10 58.177 58.177 58.452 -0.275 25971
170 1 3 . 1 1 10 10 ARG CB C 10 30.043 30.043 29.997 0.046 25971
171 1 3 . 1 1 10 10 ARG H H 10 8.587 8.587 9.025 -0.438 25971
172 1 3 . 1 1 11 11 HIS N N 11 115.588 115.588 114.742 0.846 25971
173 1 3 . 1 1 11 11 HIS HA H 11 4.608 4.608 4.466 0.142 25971
174 1 3 . 1 1 11 11 HIS CA C 11 55.459 55.459 56.614 -1.155 25971
175 1 3 . 1 1 11 11 HIS CB C 11 28.133 28.133 29.997 -1.864 25971
176 1 3 . 1 1 11 11 HIS H H 11 8.513 8.513 8.303 0.209 25971
177 1 3 . 1 1 12 12 GLY N N 12 108.461 108.461 107.286 1.175 25971
178 1 3 . 1 1 12 12 GLY CA C 12 45.018 45.018 45.132 -0.114 25971
179 1 3 . 1 1 12 12 GLY H H 12 7.823 7.823 8.193 -0.370 25971
180 1 3 . 1 1 13 13 GLY N N 13 108.511 108.511 108.154 0.357 25971
181 1 3 . 1 1 13 13 GLY CA C 13 44.621 44.621 44.550 0.071 25971
182 1 3 . 1 1 13 13 GLY H H 13 8.064 8.064 8.038 0.026 25971
183 1 3 . 1 1 14 14 CYS N N 14 118.343 118.343 118.007 0.336 25971
184 1 3 . 1 1 14 14 CYS HA H 14 5.069 5.069 4.713 0.356 25971
185 1 3 . 1 1 14 14 CYS CA C 14 54.878 54.878 57.832 -2.954 25971
186 1 3 . 1 1 14 14 CYS CB C 14 43.567 43.567 28.477 15.089 25971
187 1 3 . 1 1 14 14 CYS H H 14 8.539 8.539 8.217 0.322 25971
188 1 3 . 1 1 15 15 SER N N 15 119.360 119.360 119.858 -0.498 25971
189 1 3 . 1 1 15 15 SER HA H 15 4.623 4.623 4.584 0.039 25971
190 1 3 . 1 1 15 15 SER CA C 15 57.394 57.394 59.103 -1.710 25971
191 1 3 . 1 1 15 15 SER CB C 15 63.882 63.882 63.600 0.282 25971
192 1 3 . 1 1 15 15 SER H H 15 9.184 9.184 8.860 0.324 25971
193 1 4 . 1 1 2 2 CYS N N 2 121.932 121.932 123.619 -1.687 25971
194 1 4 . 1 1 2 2 CYS HA H 2 4.595 4.595 4.674 -0.079 25971
195 1 4 . 1 1 2 2 CYS CA C 2 53.107 53.107 57.737 -4.630 25971
196 1 4 . 1 1 2 2 CYS CB C 2 40.932 40.932 31.600 9.332 25971
197 1 4 . 1 1 2 2 CYS H H 2 8.107 8.107 7.826 0.281 25971
198 1 4 . 1 1 3 3 ALA N N 3 126.160 126.160 122.878 3.282 25971
199 1 4 . 1 1 3 3 ALA HA H 3 3.913 3.913 4.027 -0.114 25971
200 1 4 . 1 1 3 3 ALA CA C 3 52.174 52.174 52.726 -0.552 25971
201 1 4 . 1 1 3 3 ALA CB C 3 19.322 19.322 19.017 0.305 25971
202 1 4 . 1 1 3 3 ALA H H 3 8.281 8.281 8.668 -0.387 25971
203 1 4 . 1 1 4 4 SER N N 4 114.350 114.350 116.739 -2.389 25971
204 1 4 . 1 1 4 4 SER HA H 4 4.068 4.068 3.985 0.083 25971
205 1 4 . 1 1 4 4 SER CA C 4 60.061 60.061 58.469 1.592 25971
206 1 4 . 1 1 4 4 SER CB C 4 62.898 62.898 62.659 0.239 25971
207 1 4 . 1 1 4 4 SER H H 4 8.292 8.292 8.837 -0.545 25971
208 1 4 . 1 1 5 5 GLY N N 5 112.193 112.193 106.120 6.073 25971
209 1 4 . 1 1 5 5 GLY CA C 5 45.201 45.201 45.545 -0.344 25971
210 1 4 . 1 1 5 5 GLY H H 5 8.618 8.618 7.409 1.209 25971
211 1 4 . 1 1 6 6 CYS N N 6 118.252 118.252 116.931 1.321 25971
212 1 4 . 1 1 6 6 CYS HA H 6 4.998 4.998 4.062 0.936 25971
213 1 4 . 1 1 6 6 CYS CA C 6 55.916 55.916 60.312 -4.396 25971
214 1 4 . 1 1 6 6 CYS CB C 6 47.041 47.041 27.541 19.500 25971
215 1 4 . 1 1 6 6 CYS H H 6 7.941 7.941 7.851 0.090 25971
216 1 4 . 1 1 7 7 ARG N N 7 121.253 121.253 121.481 -0.228 25971
217 1 4 . 1 1 7 7 ARG HA H 7 4.461 4.461 4.485 -0.024 25971
218 1 4 . 1 1 7 7 ARG CA C 7 55.039 55.039 55.672 -0.633 25971
219 1 4 . 1 1 7 7 ARG CB C 7 32.252 32.252 31.902 0.349 25971
220 1 4 . 1 1 7 7 ARG H H 7 8.626 8.626 8.406 0.220 25971
221 1 4 . 1 1 8 8 LYS N N 8 123.490 123.490 122.155 1.335 25971
222 1 4 . 1 1 8 8 LYS HA H 8 4.361 4.361 4.941 -0.580 25971
223 1 4 . 1 1 8 8 LYS CA C 8 56.880 56.880 56.147 0.733 25971
224 1 4 . 1 1 8 8 LYS CB C 8 32.958 32.958 33.932 -0.974 25971
225 1 4 . 1 1 8 8 LYS H H 8 8.450 8.450 8.416 0.034 25971
226 1 4 . 1 1 9 9 LYS N N 9 124.147 124.147 120.236 3.911 25971
227 1 4 . 1 1 9 9 LYS HA H 9 4.295 4.295 4.673 -0.378 25971
228 1 4 . 1 1 9 9 LYS CA C 9 55.640 55.640 54.641 0.999 25971
229 1 4 . 1 1 9 9 LYS CB C 9 33.301 33.301 34.526 -1.226 25971
230 1 4 . 1 1 9 9 LYS H H 9 8.035 8.035 8.341 -0.306 25971
231 1 4 . 1 1 10 10 ARG N N 10 122.770 122.770 122.432 0.338 25971
232 1 4 . 1 1 10 10 ARG HA H 10 3.915 3.915 4.131 -0.216 25971
233 1 4 . 1 1 10 10 ARG CA C 10 58.177 58.177 58.569 -0.392 25971
234 1 4 . 1 1 10 10 ARG CB C 10 30.043 30.043 29.811 0.232 25971
235 1 4 . 1 1 10 10 ARG H H 10 8.587 8.587 8.949 -0.362 25971
236 1 4 . 1 1 11 11 HIS N N 11 115.588 115.588 113.858 1.730 25971
237 1 4 . 1 1 11 11 HIS HA H 11 4.608 4.608 4.411 0.197 25971
238 1 4 . 1 1 11 11 HIS CA C 11 55.459 55.459 56.149 -0.690 25971
239 1 4 . 1 1 11 11 HIS CB C 11 28.133 28.133 29.986 -1.853 25971
240 1 4 . 1 1 11 11 HIS H H 11 8.513 8.513 8.355 0.158 25971
241 1 4 . 1 1 12 12 GLY N N 12 108.461 108.461 106.914 1.547 25971
242 1 4 . 1 1 12 12 GLY CA C 12 45.018 45.018 45.118 -0.100 25971
243 1 4 . 1 1 12 12 GLY H H 12 7.823 7.823 8.097 -0.274 25971
244 1 4 . 1 1 13 13 GLY N N 13 108.511 108.511 108.122 0.389 25971
245 1 4 . 1 1 13 13 GLY CA C 13 44.621 44.621 44.513 0.108 25971
246 1 4 . 1 1 13 13 GLY H H 13 8.064 8.064 8.061 0.003 25971
247 1 4 . 1 1 14 14 CYS N N 14 118.343 118.343 117.076 1.267 25971
248 1 4 . 1 1 14 14 CYS HA H 14 5.069 5.069 5.234 -0.165 25971
249 1 4 . 1 1 14 14 CYS CA C 14 54.878 54.878 57.444 -2.567 25971
250 1 4 . 1 1 14 14 CYS CB C 14 43.567 43.567 29.660 13.907 25971
251 1 4 . 1 1 14 14 CYS H H 14 8.539 8.539 8.149 0.390 25971
252 1 4 . 1 1 15 15 SER N N 15 119.360 119.360 119.335 0.025 25971
253 1 4 . 1 1 15 15 SER HA H 15 4.623 4.623 4.706 -0.083 25971
254 1 4 . 1 1 15 15 SER CA C 15 57.394 57.394 57.938 -0.544 25971
255 1 4 . 1 1 15 15 SER CB C 15 63.882 63.882 62.713 1.169 25971
256 1 4 . 1 1 15 15 SER H H 15 9.184 9.184 8.786 0.398 25971
257 1 5 . 1 1 2 2 CYS N N 2 121.932 121.932 123.567 -1.635 25971
258 1 5 . 1 1 2 2 CYS HA H 2 4.595 4.595 4.583 0.012 25971
259 1 5 . 1 1 2 2 CYS CA C 2 53.107 53.107 57.808 -4.701 25971
260 1 5 . 1 1 2 2 CYS CB C 2 40.932 40.932 31.358 9.574 25971
261 1 5 . 1 1 2 2 CYS H H 2 8.107 8.107 7.795 0.312 25971
262 1 5 . 1 1 3 3 ALA N N 3 126.160 126.160 122.713 3.447 25971
263 1 5 . 1 1 3 3 ALA HA H 3 3.913 3.913 4.049 -0.136 25971
264 1 5 . 1 1 3 3 ALA CA C 3 52.174 52.174 52.572 -0.398 25971
265 1 5 . 1 1 3 3 ALA CB C 3 19.322 19.322 19.029 0.293 25971
266 1 5 . 1 1 3 3 ALA H H 3 8.281 8.281 8.587 -0.306 25971
267 1 5 . 1 1 4 4 SER N N 4 114.350 114.350 116.782 -2.432 25971
268 1 5 . 1 1 4 4 SER HA H 4 4.068 4.068 4.015 0.053 25971
269 1 5 . 1 1 4 4 SER CA C 4 60.061 60.061 58.442 1.619 25971
270 1 5 . 1 1 4 4 SER CB C 4 62.898 62.898 62.680 0.218 25971
271 1 5 . 1 1 4 4 SER H H 4 8.292 8.292 8.864 -0.572 25971
272 1 5 . 1 1 5 5 GLY N N 5 112.193 112.193 106.277 5.916 25971
273 1 5 . 1 1 5 5 GLY CA C 5 45.201 45.201 45.538 -0.337 25971
274 1 5 . 1 1 5 5 GLY H H 5 8.618 8.618 7.398 1.220 25971
275 1 5 . 1 1 6 6 CYS N N 6 118.252 118.252 116.857 1.395 25971
276 1 5 . 1 1 6 6 CYS HA H 6 4.998 4.998 4.033 0.965 25971
277 1 5 . 1 1 6 6 CYS CA C 6 55.916 55.916 60.239 -4.323 25971
278 1 5 . 1 1 6 6 CYS CB C 6 47.041 47.041 27.503 19.538 25971
279 1 5 . 1 1 6 6 CYS H H 6 7.941 7.941 7.918 0.023 25971
280 1 5 . 1 1 7 7 ARG N N 7 121.253 121.253 120.852 0.401 25971
281 1 5 . 1 1 7 7 ARG HA H 7 4.461 4.461 4.524 -0.063 25971
282 1 5 . 1 1 7 7 ARG CA C 7 55.039 55.039 54.292 0.747 25971
283 1 5 . 1 1 7 7 ARG CB C 7 32.252 32.252 31.768 0.484 25971
284 1 5 . 1 1 7 7 ARG H H 7 8.626 8.626 8.115 0.511 25971
285 1 5 . 1 1 8 8 LYS N N 8 123.490 123.490 122.369 1.121 25971
286 1 5 . 1 1 8 8 LYS HA H 8 4.361 4.361 4.874 -0.513 25971
287 1 5 . 1 1 8 8 LYS CA C 8 56.880 56.880 56.242 0.638 25971
288 1 5 . 1 1 8 8 LYS CB C 8 32.958 32.958 33.717 -0.759 25971
289 1 5 . 1 1 8 8 LYS H H 8 8.450 8.450 8.429 0.021 25971
290 1 5 . 1 1 9 9 LYS N N 9 124.147 124.147 121.599 2.548 25971
291 1 5 . 1 1 9 9 LYS HA H 9 4.295 4.295 4.693 -0.398 25971
292 1 5 . 1 1 9 9 LYS CA C 9 55.640 55.640 54.596 1.044 25971
293 1 5 . 1 1 9 9 LYS CB C 9 33.301 33.301 34.353 -1.052 25971
294 1 5 . 1 1 9 9 LYS H H 9 8.035 8.035 8.245 -0.210 25971
295 1 5 . 1 1 10 10 ARG N N 10 122.770 122.770 121.785 0.985 25971
296 1 5 . 1 1 10 10 ARG HA H 10 3.915 3.915 4.100 -0.185 25971
297 1 5 . 1 1 10 10 ARG CA C 10 58.177 58.177 58.549 -0.372 25971
298 1 5 . 1 1 10 10 ARG CB C 10 30.043 30.043 30.155 -0.112 25971
299 1 5 . 1 1 10 10 ARG H H 10 8.587 8.587 8.930 -0.343 25971
300 1 5 . 1 1 11 11 HIS N N 11 115.588 115.588 113.880 1.708 25971
301 1 5 . 1 1 11 11 HIS HA H 11 4.608 4.608 4.431 0.177 25971
302 1 5 . 1 1 11 11 HIS CA C 11 55.459 55.459 56.604 -1.145 25971
303 1 5 . 1 1 11 11 HIS CB C 11 28.133 28.133 30.060 -1.927 25971
304 1 5 . 1 1 11 11 HIS H H 11 8.513 8.513 8.516 -0.003 25971
305 1 5 . 1 1 12 12 GLY N N 12 108.461 108.461 107.112 1.349 25971
306 1 5 . 1 1 12 12 GLY CA C 12 45.018 45.018 45.120 -0.102 25971
307 1 5 . 1 1 12 12 GLY H H 12 7.823 7.823 8.134 -0.311 25971
308 1 5 . 1 1 13 13 GLY N N 13 108.511 108.511 108.115 0.396 25971
309 1 5 . 1 1 13 13 GLY CA C 13 44.621 44.621 44.498 0.122 25971
310 1 5 . 1 1 13 13 GLY H H 13 8.064 8.064 8.049 0.015 25971
311 1 5 . 1 1 14 14 CYS N N 14 118.343 118.343 117.348 0.995 25971
312 1 5 . 1 1 14 14 CYS HA H 14 5.069 5.069 5.237 -0.168 25971
313 1 5 . 1 1 14 14 CYS CA C 14 54.878 54.878 57.562 -2.684 25971
314 1 5 . 1 1 14 14 CYS CB C 14 43.567 43.567 29.100 14.467 25971
315 1 5 . 1 1 14 14 CYS H H 14 8.539 8.539 8.142 0.397 25971
316 1 5 . 1 1 15 15 SER N N 15 119.360 119.360 119.576 -0.216 25971
317 1 5 . 1 1 15 15 SER HA H 15 4.623 4.623 4.640 -0.017 25971
318 1 5 . 1 1 15 15 SER CA C 15 57.394 57.394 58.928 -1.534 25971
319 1 5 . 1 1 15 15 SER CB C 15 63.882 63.882 63.282 0.600 25971
320 1 5 . 1 1 15 15 SER H H 15 9.184 9.184 8.784 0.400 25971
321 1 6 . 1 1 2 2 CYS N N 2 121.932 121.932 123.678 -1.746 25971
322 1 6 . 1 1 2 2 CYS HA H 2 4.595 4.595 4.682 -0.087 25971
323 1 6 . 1 1 2 2 CYS CA C 2 53.107 53.107 57.595 -4.488 25971
324 1 6 . 1 1 2 2 CYS CB C 2 40.932 40.932 30.872 10.060 25971
325 1 6 . 1 1 2 2 CYS H H 2 8.107 8.107 8.232 -0.125 25971
326 1 6 . 1 1 3 3 ALA N N 3 126.160 126.160 122.861 3.299 25971
327 1 6 . 1 1 3 3 ALA HA H 3 3.913 3.913 4.084 -0.171 25971
328 1 6 . 1 1 3 3 ALA CA C 3 52.174 52.174 52.908 -0.735 25971
329 1 6 . 1 1 3 3 ALA CB C 3 19.322 19.322 18.957 0.365 25971
330 1 6 . 1 1 3 3 ALA H H 3 8.281 8.281 8.584 -0.303 25971
331 1 6 . 1 1 4 4 SER N N 4 114.350 114.350 116.954 -2.604 25971
332 1 6 . 1 1 4 4 SER HA H 4 4.068 4.068 4.055 0.013 25971
333 1 6 . 1 1 4 4 SER CA C 4 60.061 60.061 58.503 1.558 25971
334 1 6 . 1 1 4 4 SER CB C 4 62.898 62.898 62.674 0.224 25971
335 1 6 . 1 1 4 4 SER H H 4 8.292 8.292 8.955 -0.663 25971
336 1 6 . 1 1 5 5 GLY N N 5 112.193 112.193 106.016 6.177 25971
337 1 6 . 1 1 5 5 GLY CA C 5 45.201 45.201 45.473 -0.272 25971
338 1 6 . 1 1 5 5 GLY H H 5 8.618 8.618 7.294 1.324 25971
339 1 6 . 1 1 6 6 CYS N N 6 118.252 118.252 118.072 0.180 25971
340 1 6 . 1 1 6 6 CYS HA H 6 4.998 4.998 4.051 0.947 25971
341 1 6 . 1 1 6 6 CYS CA C 6 55.916 55.916 60.932 -5.016 25971
342 1 6 . 1 1 6 6 CYS CB C 6 47.041 47.041 27.696 19.345 25971
343 1 6 . 1 1 6 6 CYS H H 6 7.941 7.941 7.641 0.300 25971
344 1 6 . 1 1 7 7 ARG N N 7 121.253 121.253 120.410 0.843 25971
345 1 6 . 1 1 7 7 ARG HA H 7 4.461 4.461 4.532 -0.071 25971
346 1 6 . 1 1 7 7 ARG CA C 7 55.039 55.039 55.256 -0.217 25971
347 1 6 . 1 1 7 7 ARG CB C 7 32.252 32.252 32.495 -0.243 25971
348 1 6 . 1 1 7 7 ARG H H 7 8.626 8.626 7.907 0.719 25971
349 1 6 . 1 1 8 8 LYS N N 8 123.490 123.490 122.282 1.208 25971
350 1 6 . 1 1 8 8 LYS HA H 8 4.361 4.361 4.806 -0.445 25971
351 1 6 . 1 1 8 8 LYS CA C 8 56.880 56.880 56.409 0.471 25971
352 1 6 . 1 1 8 8 LYS CB C 8 32.958 32.958 33.627 -0.669 25971
353 1 6 . 1 1 8 8 LYS H H 8 8.450 8.450 8.459 -0.009 25971
354 1 6 . 1 1 9 9 LYS N N 9 124.147 124.147 121.245 2.902 25971
355 1 6 . 1 1 9 9 LYS HA H 9 4.295 4.295 4.604 -0.309 25971
356 1 6 . 1 1 9 9 LYS CA C 9 55.640 55.640 54.767 0.873 25971
357 1 6 . 1 1 9 9 LYS CB C 9 33.301 33.301 33.873 -0.572 25971
358 1 6 . 1 1 9 9 LYS H H 9 8.035 8.035 8.403 -0.368 25971
359 1 6 . 1 1 10 10 ARG N N 10 122.770 122.770 121.809 0.961 25971
360 1 6 . 1 1 10 10 ARG HA H 10 3.915 3.915 4.085 -0.170 25971
361 1 6 . 1 1 10 10 ARG CA C 10 58.177 58.177 58.554 -0.377 25971
362 1 6 . 1 1 10 10 ARG CB C 10 30.043 30.043 29.924 0.119 25971
363 1 6 . 1 1 10 10 ARG H H 10 8.587 8.587 9.003 -0.416 25971
364 1 6 . 1 1 11 11 HIS N N 11 115.588 115.588 114.519 1.069 25971
365 1 6 . 1 1 11 11 HIS HA H 11 4.608 4.608 4.445 0.163 25971
366 1 6 . 1 1 11 11 HIS CA C 11 55.459 55.459 56.558 -1.099 25971
367 1 6 . 1 1 11 11 HIS CB C 11 28.133 28.133 29.915 -1.782 25971
368 1 6 . 1 1 11 11 HIS H H 11 8.513 8.513 8.430 0.083 25971
369 1 6 . 1 1 12 12 GLY N N 12 108.461 108.461 106.954 1.507 25971
370 1 6 . 1 1 12 12 GLY CA C 12 45.018 45.018 45.139 -0.121 25971
371 1 6 . 1 1 12 12 GLY H H 12 7.823 7.823 8.093 -0.270 25971
372 1 6 . 1 1 13 13 GLY N N 13 108.511 108.511 107.566 0.945 25971
373 1 6 . 1 1 13 13 GLY CA C 13 44.621 44.621 44.478 0.143 25971
374 1 6 . 1 1 13 13 GLY H H 13 8.064 8.064 7.962 0.102 25971
375 1 6 . 1 1 14 14 CYS N N 14 118.343 118.343 117.693 0.650 25971
376 1 6 . 1 1 14 14 CYS HA H 14 5.069 5.069 5.216 -0.147 25971
377 1 6 . 1 1 14 14 CYS CA C 14 54.878 54.878 57.516 -2.638 25971
378 1 6 . 1 1 14 14 CYS CB C 14 43.567 43.567 28.919 14.648 25971
379 1 6 . 1 1 14 14 CYS H H 14 8.539 8.539 8.195 0.344 25971
380 1 6 . 1 1 15 15 SER N N 15 119.360 119.360 119.499 -0.139 25971
381 1 6 . 1 1 15 15 SER HA H 15 4.623 4.623 4.669 -0.046 25971
382 1 6 . 1 1 15 15 SER CA C 15 57.394 57.394 58.828 -1.434 25971
383 1 6 . 1 1 15 15 SER CB C 15 63.882 63.882 63.909 -0.027 25971
384 1 6 . 1 1 15 15 SER H H 15 9.184 9.184 8.966 0.218 25971
385 1 7 . 1 1 2 2 CYS N N 2 121.932 121.932 124.209 -2.277 25971
386 1 7 . 1 1 2 2 CYS HA H 2 4.595 4.595 4.665 -0.070 25971
387 1 7 . 1 1 2 2 CYS CA C 2 53.107 53.107 57.668 -4.561 25971
388 1 7 . 1 1 2 2 CYS CB C 2 40.932 40.932 31.125 9.807 25971
389 1 7 . 1 1 2 2 CYS H H 2 8.107 8.107 8.215 -0.108 25971
390 1 7 . 1 1 3 3 ALA N N 3 126.160 126.160 122.971 3.189 25971
391 1 7 . 1 1 3 3 ALA HA H 3 3.913 3.913 4.076 -0.163 25971
392 1 7 . 1 1 3 3 ALA CA C 3 52.174 52.174 52.782 -0.608 25971
393 1 7 . 1 1 3 3 ALA CB C 3 19.322 19.322 19.024 0.298 25971
394 1 7 . 1 1 3 3 ALA H H 3 8.281 8.281 8.601 -0.320 25971
395 1 7 . 1 1 4 4 SER N N 4 114.350 114.350 116.902 -2.552 25971
396 1 7 . 1 1 4 4 SER HA H 4 4.068 4.068 4.055 0.013 25971
397 1 7 . 1 1 4 4 SER CA C 4 60.061 60.061 58.898 1.163 25971
398 1 7 . 1 1 4 4 SER CB C 4 62.898 62.898 62.614 0.284 25971
399 1 7 . 1 1 4 4 SER H H 4 8.292 8.292 8.919 -0.627 25971
400 1 7 . 1 1 5 5 GLY N N 5 112.193 112.193 106.456 5.737 25971
401 1 7 . 1 1 5 5 GLY CA C 5 45.201 45.201 45.621 -0.420 25971
402 1 7 . 1 1 5 5 GLY H H 5 8.618 8.618 7.351 1.267 25971
403 1 7 . 1 1 6 6 CYS N N 6 118.252 118.252 117.713 0.539 25971
404 1 7 . 1 1 6 6 CYS HA H 6 4.998 4.998 4.071 0.927 25971
405 1 7 . 1 1 6 6 CYS CA C 6 55.916 55.916 60.697 -4.781 25971
406 1 7 . 1 1 6 6 CYS CB C 6 47.041 47.041 27.747 19.294 25971
407 1 7 . 1 1 6 6 CYS H H 6 7.941 7.941 7.700 0.241 25971
408 1 7 . 1 1 7 7 ARG N N 7 121.253 121.253 120.556 0.697 25971
409 1 7 . 1 1 7 7 ARG HA H 7 4.461 4.461 4.510 -0.049 25971
410 1 7 . 1 1 7 7 ARG CA C 7 55.039 55.039 55.442 -0.403 25971
411 1 7 . 1 1 7 7 ARG CB C 7 32.252 32.252 32.204 0.048 25971
412 1 7 . 1 1 7 7 ARG H H 7 8.626 8.626 7.916 0.710 25971
413 1 7 . 1 1 8 8 LYS N N 8 123.490 123.490 121.588 1.902 25971
414 1 7 . 1 1 8 8 LYS HA H 8 4.361 4.361 4.813 -0.452 25971
415 1 7 . 1 1 8 8 LYS CA C 8 56.880 56.880 56.160 0.720 25971
416 1 7 . 1 1 8 8 LYS CB C 8 32.958 32.958 33.951 -0.993 25971
417 1 7 . 1 1 8 8 LYS H H 8 8.450 8.450 8.438 0.012 25971
418 1 7 . 1 1 9 9 LYS N N 9 124.147 124.147 119.703 4.444 25971
419 1 7 . 1 1 9 9 LYS HA H 9 4.295 4.295 4.612 -0.317 25971
420 1 7 . 1 1 9 9 LYS CA C 9 55.640 55.640 54.850 0.790 25971
421 1 7 . 1 1 9 9 LYS CB C 9 33.301 33.301 34.305 -1.004 25971
422 1 7 . 1 1 9 9 LYS H H 9 8.035 8.035 8.298 -0.263 25971
423 1 7 . 1 1 10 10 ARG N N 10 122.770 122.770 122.091 0.679 25971
424 1 7 . 1 1 10 10 ARG HA H 10 3.915 3.915 4.087 -0.172 25971
425 1 7 . 1 1 10 10 ARG CA C 10 58.177 58.177 58.395 -0.218 25971
426 1 7 . 1 1 10 10 ARG CB C 10 30.043 30.043 30.028 0.015 25971
427 1 7 . 1 1 10 10 ARG H H 10 8.587 8.587 9.038 -0.451 25971
428 1 7 . 1 1 11 11 HIS N N 11 115.588 115.588 114.803 0.785 25971
429 1 7 . 1 1 11 11 HIS HA H 11 4.608 4.608 4.467 0.141 25971
430 1 7 . 1 1 11 11 HIS CA C 11 55.459 55.459 56.584 -1.125 25971
431 1 7 . 1 1 11 11 HIS CB C 11 28.133 28.133 30.011 -1.878 25971
432 1 7 . 1 1 11 11 HIS H H 11 8.513 8.513 8.282 0.231 25971
433 1 7 . 1 1 12 12 GLY N N 12 108.461 108.461 107.396 1.065 25971
434 1 7 . 1 1 12 12 GLY CA C 12 45.018 45.018 45.136 -0.118 25971
435 1 7 . 1 1 12 12 GLY H H 12 7.823 7.823 8.202 -0.379 25971
436 1 7 . 1 1 13 13 GLY N N 13 108.511 108.511 108.051 0.460 25971
437 1 7 . 1 1 13 13 GLY CA C 13 44.621 44.621 44.441 0.180 25971
438 1 7 . 1 1 13 13 GLY H H 13 8.064 8.064 8.053 0.011 25971
439 1 7 . 1 1 14 14 CYS N N 14 118.343 118.343 116.790 1.553 25971
440 1 7 . 1 1 14 14 CYS HA H 14 5.069 5.069 5.357 -0.288 25971
441 1 7 . 1 1 14 14 CYS CA C 14 54.878 54.878 57.453 -2.575 25971
442 1 7 . 1 1 14 14 CYS CB C 14 43.567 43.567 30.626 12.941 25971
443 1 7 . 1 1 14 14 CYS H H 14 8.539 8.539 8.106 0.433 25971
444 1 7 . 1 1 15 15 SER N N 15 119.360 119.360 117.723 1.637 25971
445 1 7 . 1 1 15 15 SER HA H 15 4.623 4.623 4.860 -0.237 25971
446 1 7 . 1 1 15 15 SER CA C 15 57.394 57.394 57.344 0.050 25971
447 1 7 . 1 1 15 15 SER CB C 15 63.882 63.882 63.747 0.135 25971
448 1 7 . 1 1 15 15 SER H H 15 9.184 9.184 8.838 0.346 25971
449 1 8 . 1 1 2 2 CYS N N 2 121.932 121.932 123.281 -1.349 25971
450 1 8 . 1 1 2 2 CYS HA H 2 4.595 4.595 4.634 -0.039 25971
451 1 8 . 1 1 2 2 CYS CA C 2 53.107 53.107 57.825 -4.718 25971
452 1 8 . 1 1 2 2 CYS CB C 2 40.932 40.932 31.609 9.323 25971
453 1 8 . 1 1 2 2 CYS H H 2 8.107 8.107 7.973 0.134 25971
454 1 8 . 1 1 3 3 ALA N N 3 126.160 126.160 122.971 3.189 25971
455 1 8 . 1 1 3 3 ALA HA H 3 3.913 3.913 4.057 -0.144 25971
456 1 8 . 1 1 3 3 ALA CA C 3 52.174 52.174 52.932 -0.758 25971
457 1 8 . 1 1 3 3 ALA CB C 3 19.322 19.322 18.987 0.335 25971
458 1 8 . 1 1 3 3 ALA H H 3 8.281 8.281 8.601 -0.320 25971
459 1 8 . 1 1 4 4 SER N N 4 114.350 114.350 117.183 -2.833 25971
460 1 8 . 1 1 4 4 SER HA H 4 4.068 4.068 4.060 0.008 25971
461 1 8 . 1 1 4 4 SER CA C 4 60.061 60.061 59.328 0.733 25971
462 1 8 . 1 1 4 4 SER CB C 4 62.898 62.898 62.662 0.236 25971
463 1 8 . 1 1 4 4 SER H H 4 8.292 8.292 8.850 -0.558 25971
464 1 8 . 1 1 5 5 GLY N N 5 112.193 112.193 106.420 5.773 25971
465 1 8 . 1 1 5 5 GLY CA C 5 45.201 45.201 45.654 -0.453 25971
466 1 8 . 1 1 5 5 GLY H H 5 8.618 8.618 7.413 1.205 25971
467 1 8 . 1 1 6 6 CYS N N 6 118.252 118.252 117.849 0.403 25971
468 1 8 . 1 1 6 6 CYS HA H 6 4.998 4.998 4.055 0.943 25971
469 1 8 . 1 1 6 6 CYS CA C 6 55.916 55.916 60.873 -4.957 25971
470 1 8 . 1 1 6 6 CYS CB C 6 47.041 47.041 27.667 19.374 25971
471 1 8 . 1 1 6 6 CYS H H 6 7.941 7.941 7.724 0.217 25971
472 1 8 . 1 1 7 7 ARG N N 7 121.253 121.253 120.425 0.828 25971
473 1 8 . 1 1 7 7 ARG HA H 7 4.461 4.461 4.527 -0.066 25971
474 1 8 . 1 1 7 7 ARG CA C 7 55.039 55.039 55.378 -0.339 25971
475 1 8 . 1 1 7 7 ARG CB C 7 32.252 32.252 32.352 -0.100 25971
476 1 8 . 1 1 7 7 ARG H H 7 8.626 8.626 7.928 0.698 25971
477 1 8 . 1 1 8 8 LYS N N 8 123.490 123.490 121.457 2.033 25971
478 1 8 . 1 1 8 8 LYS HA H 8 4.361 4.361 4.745 -0.384 25971
479 1 8 . 1 1 8 8 LYS CA C 8 56.880 56.880 56.198 0.682 25971
480 1 8 . 1 1 8 8 LYS CB C 8 32.958 32.958 33.838 -0.880 25971
481 1 8 . 1 1 8 8 LYS H H 8 8.450 8.450 8.372 0.078 25971
482 1 8 . 1 1 9 9 LYS N N 9 124.147 124.147 119.871 4.276 25971
483 1 8 . 1 1 9 9 LYS HA H 9 4.295 4.295 4.625 -0.330 25971
484 1 8 . 1 1 9 9 LYS CA C 9 55.640 55.640 54.801 0.839 25971
485 1 8 . 1 1 9 9 LYS CB C 9 33.301 33.301 34.632 -1.331 25971
486 1 8 . 1 1 9 9 LYS H H 9 8.035 8.035 8.158 -0.123 25971
487 1 8 . 1 1 10 10 ARG N N 10 122.770 122.770 122.469 0.301 25971
488 1 8 . 1 1 10 10 ARG HA H 10 3.915 3.915 4.112 -0.197 25971
489 1 8 . 1 1 10 10 ARG CA C 10 58.177 58.177 58.208 -0.031 25971
490 1 8 . 1 1 10 10 ARG CB C 10 30.043 30.043 29.520 0.523 25971
491 1 8 . 1 1 10 10 ARG H H 10 8.587 8.587 8.835 -0.248 25971
492 1 8 . 1 1 11 11 HIS N N 11 115.588 115.588 113.920 1.668 25971
493 1 8 . 1 1 11 11 HIS HA H 11 4.608 4.608 4.426 0.182 25971
494 1 8 . 1 1 11 11 HIS CA C 11 55.459 55.459 55.980 -0.521 25971
495 1 8 . 1 1 11 11 HIS CB C 11 28.133 28.133 29.917 -1.784 25971
496 1 8 . 1 1 11 11 HIS H H 11 8.513 8.513 8.159 0.354 25971
497 1 8 . 1 1 12 12 GLY N N 12 108.461 108.461 106.805 1.656 25971
498 1 8 . 1 1 12 12 GLY CA C 12 45.018 45.018 45.102 -0.084 25971
499 1 8 . 1 1 12 12 GLY H H 12 7.823 7.823 8.128 -0.305 25971
500 1 8 . 1 1 13 13 GLY N N 13 108.511 108.511 108.050 0.461 25971
501 1 8 . 1 1 13 13 GLY CA C 13 44.621 44.621 44.419 0.202 25971
502 1 8 . 1 1 13 13 GLY H H 13 8.064 8.064 8.066 -0.002 25971
503 1 8 . 1 1 14 14 CYS N N 14 118.343 118.343 117.535 0.808 25971
504 1 8 . 1 1 14 14 CYS HA H 14 5.069 5.069 5.185 -0.116 25971
505 1 8 . 1 1 14 14 CYS CA C 14 54.878 54.878 57.467 -2.589 25971
506 1 8 . 1 1 14 14 CYS CB C 14 43.567 43.567 29.503 14.064 25971
507 1 8 . 1 1 14 14 CYS H H 14 8.539 8.539 8.186 0.353 25971
508 1 8 . 1 1 15 15 SER N N 15 119.360 119.360 119.228 0.132 25971
509 1 8 . 1 1 15 15 SER HA H 15 4.623 4.623 4.706 -0.083 25971
510 1 8 . 1 1 15 15 SER CA C 15 57.394 57.394 58.445 -1.051 25971
511 1 8 . 1 1 15 15 SER CB C 15 63.882 63.882 63.573 0.309 25971
512 1 8 . 1 1 15 15 SER H H 15 9.184 9.184 8.696 0.488 25971
513 1 9 . 1 1 2 2 CYS N N 2 121.932 121.932 121.656 0.276 25971
514 1 9 . 1 1 2 2 CYS HA H 2 4.595 4.595 4.665 -0.070 25971
515 1 9 . 1 1 2 2 CYS CA C 2 53.107 53.107 57.532 -4.425 25971
516 1 9 . 1 1 2 2 CYS CB C 2 40.932 40.932 32.098 8.834 25971
517 1 9 . 1 1 2 2 CYS H H 2 8.107 8.107 7.801 0.306 25971
518 1 9 . 1 1 3 3 ALA N N 3 126.160 126.160 122.409 3.751 25971
519 1 9 . 1 1 3 3 ALA HA H 3 3.913 3.913 4.062 -0.149 25971
520 1 9 . 1 1 3 3 ALA CA C 3 52.174 52.174 53.087 -0.913 25971
521 1 9 . 1 1 3 3 ALA CB C 3 19.322 19.322 18.934 0.388 25971
522 1 9 . 1 1 3 3 ALA H H 3 8.281 8.281 8.582 -0.301 25971
523 1 9 . 1 1 4 4 SER N N 4 114.350 114.350 116.722 -2.372 25971
524 1 9 . 1 1 4 4 SER HA H 4 4.068 4.068 4.049 0.019 25971
525 1 9 . 1 1 4 4 SER CA C 4 60.061 60.061 58.676 1.385 25971
526 1 9 . 1 1 4 4 SER CB C 4 62.898 62.898 62.779 0.119 25971
527 1 9 . 1 1 4 4 SER H H 4 8.292 8.292 8.902 -0.610 25971
528 1 9 . 1 1 5 5 GLY N N 5 112.193 112.193 106.070 6.123 25971
529 1 9 . 1 1 5 5 GLY CA C 5 45.201 45.201 45.459 -0.258 25971
530 1 9 . 1 1 5 5 GLY H H 5 8.618 8.618 7.394 1.224 25971
531 1 9 . 1 1 6 6 CYS N N 6 118.252 118.252 117.246 1.006 25971
532 1 9 . 1 1 6 6 CYS HA H 6 4.998 4.998 4.021 0.977 25971
533 1 9 . 1 1 6 6 CYS CA C 6 55.916 55.916 60.431 -4.515 25971
534 1 9 . 1 1 6 6 CYS CB C 6 47.041 47.041 27.755 19.286 25971
535 1 9 . 1 1 6 6 CYS H H 6 7.941 7.941 7.594 0.347 25971
536 1 9 . 1 1 7 7 ARG N N 7 121.253 121.253 120.585 0.668 25971
537 1 9 . 1 1 7 7 ARG HA H 7 4.461 4.461 4.539 -0.078 25971
538 1 9 . 1 1 7 7 ARG CA C 7 55.039 55.039 55.257 -0.218 25971
539 1 9 . 1 1 7 7 ARG CB C 7 32.252 32.252 32.115 0.137 25971
540 1 9 . 1 1 7 7 ARG H H 7 8.626 8.626 7.979 0.647 25971
541 1 9 . 1 1 8 8 LYS N N 8 123.490 123.490 122.392 1.098 25971
542 1 9 . 1 1 8 8 LYS HA H 8 4.361 4.361 4.808 -0.447 25971
543 1 9 . 1 1 8 8 LYS CA C 8 56.880 56.880 56.167 0.713 25971
544 1 9 . 1 1 8 8 LYS CB C 8 32.958 32.958 33.793 -0.835 25971
545 1 9 . 1 1 8 8 LYS H H 8 8.450 8.450 8.427 0.023 25971
546 1 9 . 1 1 9 9 LYS N N 9 124.147 124.147 120.475 3.672 25971
547 1 9 . 1 1 9 9 LYS HA H 9 4.295 4.295 4.761 -0.466 25971
548 1 9 . 1 1 9 9 LYS CA C 9 55.640 55.640 54.732 0.908 25971
549 1 9 . 1 1 9 9 LYS CB C 9 33.301 33.301 34.965 -1.664 25971
550 1 9 . 1 1 9 9 LYS H H 9 8.035 8.035 8.283 -0.248 25971
551 1 9 . 1 1 10 10 ARG N N 10 122.770 122.770 122.399 0.371 25971
552 1 9 . 1 1 10 10 ARG HA H 10 3.915 3.915 4.061 -0.146 25971
553 1 9 . 1 1 10 10 ARG CA C 10 58.177 58.177 58.413 -0.236 25971
554 1 9 . 1 1 10 10 ARG CB C 10 30.043 30.043 29.514 0.529 25971
555 1 9 . 1 1 10 10 ARG H H 10 8.587 8.587 9.083 -0.496 25971
556 1 9 . 1 1 11 11 HIS N N 11 115.588 115.588 116.169 -0.581 25971
557 1 9 . 1 1 11 11 HIS HA H 11 4.608 4.608 4.497 0.111 25971
558 1 9 . 1 1 11 11 HIS CA C 11 55.459 55.459 56.617 -1.158 25971
559 1 9 . 1 1 11 11 HIS CB C 11 28.133 28.133 30.036 -1.903 25971
560 1 9 . 1 1 11 11 HIS H H 11 8.513 8.513 8.261 0.252 25971
561 1 9 . 1 1 12 12 GLY N N 12 108.461 108.461 107.526 0.935 25971
562 1 9 . 1 1 12 12 GLY CA C 12 45.018 45.018 45.149 -0.131 25971
563 1 9 . 1 1 12 12 GLY H H 12 7.823 7.823 8.172 -0.349 25971
564 1 9 . 1 1 13 13 GLY N N 13 108.511 108.511 108.148 0.363 25971
565 1 9 . 1 1 13 13 GLY CA C 13 44.621 44.621 44.599 0.022 25971
566 1 9 . 1 1 13 13 GLY H H 13 8.064 8.064 8.037 0.027 25971
567 1 9 . 1 1 14 14 CYS N N 14 118.343 118.343 117.365 0.978 25971
568 1 9 . 1 1 14 14 CYS HA H 14 5.069 5.069 5.195 -0.126 25971
569 1 9 . 1 1 14 14 CYS CA C 14 54.878 54.878 57.516 -2.638 25971
570 1 9 . 1 1 14 14 CYS CB C 14 43.567 43.567 29.056 14.511 25971
571 1 9 . 1 1 14 14 CYS H H 14 8.539 8.539 8.128 0.411 25971
572 1 9 . 1 1 15 15 SER N N 15 119.360 119.360 119.698 -0.338 25971
573 1 9 . 1 1 15 15 SER HA H 15 4.623 4.623 4.531 0.092 25971
574 1 9 . 1 1 15 15 SER CA C 15 57.394 57.394 58.538 -1.144 25971
575 1 9 . 1 1 15 15 SER CB C 15 63.882 63.882 62.872 1.010 25971
576 1 9 . 1 1 15 15 SER H H 15 9.184 9.184 8.710 0.474 25971
577 1 10 . 1 1 2 2 CYS N N 2 121.932 121.932 124.183 -2.251 25971
578 1 10 . 1 1 2 2 CYS HA H 2 4.595 4.595 4.647 -0.052 25971
579 1 10 . 1 1 2 2 CYS CA C 2 53.107 53.107 57.668 -4.561 25971
580 1 10 . 1 1 2 2 CYS CB C 2 40.932 40.932 31.297 9.635 25971
581 1 10 . 1 1 2 2 CYS H H 2 8.107 8.107 8.205 -0.098 25971
582 1 10 . 1 1 3 3 ALA N N 3 126.160 126.160 123.171 2.989 25971
583 1 10 . 1 1 3 3 ALA HA H 3 3.913 3.913 4.016 -0.103 25971
584 1 10 . 1 1 3 3 ALA CA C 3 52.174 52.174 52.964 -0.790 25971
585 1 10 . 1 1 3 3 ALA CB C 3 19.322 19.322 18.999 0.323 25971
586 1 10 . 1 1 3 3 ALA H H 3 8.281 8.281 8.595 -0.314 25971
587 1 10 . 1 1 4 4 SER N N 4 114.350 114.350 117.447 -3.097 25971
588 1 10 . 1 1 4 4 SER HA H 4 4.068 4.068 4.076 -0.008 25971
589 1 10 . 1 1 4 4 SER CA C 4 60.061 60.061 59.342 0.719 25971
590 1 10 . 1 1 4 4 SER CB C 4 62.898 62.898 62.703 0.195 25971
591 1 10 . 1 1 4 4 SER H H 4 8.292 8.292 8.865 -0.573 25971
592 1 10 . 1 1 5 5 GLY N N 5 112.193 112.193 106.634 5.559 25971
593 1 10 . 1 1 5 5 GLY CA C 5 45.201 45.201 45.632 -0.431 25971
594 1 10 . 1 1 5 5 GLY H H 5 8.618 8.618 7.382 1.236 25971
595 1 10 . 1 1 6 6 CYS N N 6 118.252 118.252 117.398 0.854 25971
596 1 10 . 1 1 6 6 CYS HA H 6 4.998 4.998 4.034 0.964 25971
597 1 10 . 1 1 6 6 CYS CA C 6 55.916 55.916 60.543 -4.627 25971
598 1 10 . 1 1 6 6 CYS CB C 6 47.041 47.041 27.626 19.415 25971
599 1 10 . 1 1 6 6 CYS H H 6 7.941 7.941 7.764 0.177 25971
600 1 10 . 1 1 7 7 ARG N N 7 121.253 121.253 120.390 0.863 25971
601 1 10 . 1 1 7 7 ARG HA H 7 4.461 4.461 4.507 -0.046 25971
602 1 10 . 1 1 7 7 ARG CA C 7 55.039 55.039 55.363 -0.324 25971
603 1 10 . 1 1 7 7 ARG CB C 7 32.252 32.252 31.631 0.621 25971
604 1 10 . 1 1 7 7 ARG H H 7 8.626 8.626 7.935 0.691 25971
605 1 10 . 1 1 8 8 LYS N N 8 123.490 123.490 121.091 2.399 25971
606 1 10 . 1 1 8 8 LYS HA H 8 4.361 4.361 4.653 -0.292 25971
607 1 10 . 1 1 8 8 LYS CA C 8 56.880 56.880 55.920 0.960 25971
608 1 10 . 1 1 8 8 LYS CB C 8 32.958 32.958 34.071 -1.113 25971
609 1 10 . 1 1 8 8 LYS H H 8 8.450 8.450 8.384 0.066 25971
610 1 10 . 1 1 9 9 LYS N N 9 124.147 124.147 120.565 3.582 25971
611 1 10 . 1 1 9 9 LYS HA H 9 4.295 4.295 4.703 -0.408 25971
612 1 10 . 1 1 9 9 LYS CA C 9 55.640 55.640 54.869 0.771 25971
613 1 10 . 1 1 9 9 LYS CB C 9 33.301 33.301 35.306 -2.005 25971
614 1 10 . 1 1 9 9 LYS H H 9 8.035 8.035 8.191 -0.156 25971
615 1 10 . 1 1 10 10 ARG N N 10 122.770 122.770 125.050 -2.280 25971
616 1 10 . 1 1 10 10 ARG HA H 10 3.915 3.915 4.063 -0.148 25971
617 1 10 . 1 1 10 10 ARG CA C 10 58.177 58.177 58.295 -0.118 25971
618 1 10 . 1 1 10 10 ARG CB C 10 30.043 30.043 29.358 0.685 25971
619 1 10 . 1 1 10 10 ARG H H 10 8.587 8.587 8.900 -0.313 25971
620 1 10 . 1 1 11 11 HIS N N 11 115.588 115.588 115.506 0.082 25971
621 1 10 . 1 1 11 11 HIS HA H 11 4.608 4.608 4.491 0.117 25971
622 1 10 . 1 1 11 11 HIS CA C 11 55.459 55.459 56.645 -1.186 25971
623 1 10 . 1 1 11 11 HIS CB C 11 28.133 28.133 30.024 -1.891 25971
624 1 10 . 1 1 11 11 HIS H H 11 8.513 8.513 8.303 0.210 25971
625 1 10 . 1 1 12 12 GLY N N 12 108.461 108.461 107.942 0.519 25971
626 1 10 . 1 1 12 12 GLY CA C 12 45.018 45.018 45.155 -0.137 25971
627 1 10 . 1 1 12 12 GLY H H 12 7.823 7.823 8.335 -0.512 25971
628 1 10 . 1 1 13 13 GLY N N 13 108.511 108.511 107.284 1.227 25971
629 1 10 . 1 1 13 13 GLY CA C 13 44.621 44.621 43.975 0.646 25971
630 1 10 . 1 1 13 13 GLY H H 13 8.064 8.064 7.939 0.125 25971
631 1 10 . 1 1 14 14 CYS N N 14 118.343 118.343 116.965 1.378 25971
632 1 10 . 1 1 14 14 CYS HA H 14 5.069 5.069 5.200 -0.131 25971
633 1 10 . 1 1 14 14 CYS CA C 14 54.878 54.878 57.348 -2.470 25971
634 1 10 . 1 1 14 14 CYS CB C 14 43.567 43.567 29.858 13.709 25971
635 1 10 . 1 1 14 14 CYS H H 14 8.539 8.539 8.121 0.418 25971
636 1 10 . 1 1 15 15 SER N N 15 119.360 119.360 119.142 0.218 25971
637 1 10 . 1 1 15 15 SER HA H 15 4.623 4.623 4.618 0.005 25971
638 1 10 . 1 1 15 15 SER CA C 15 57.394 57.394 58.202 -0.808 25971
639 1 10 . 1 1 15 15 SER CB C 15 63.882 63.882 62.773 1.109 25971
640 1 10 . 1 1 15 15 SER H H 15 9.184 9.184 8.614 0.570 25971
641 1 11 . 1 1 2 2 CYS N N 2 121.932 121.932 123.404 -1.472 25971
642 1 11 . 1 1 2 2 CYS HA H 2 4.595 4.595 4.711 -0.116 25971
643 1 11 . 1 1 2 2 CYS CA C 2 53.107 53.107 57.606 -4.499 25971
644 1 11 . 1 1 2 2 CYS CB C 2 40.932 40.932 31.608 9.324 25971
645 1 11 . 1 1 2 2 CYS H H 2 8.107 8.107 7.822 0.285 25971
646 1 11 . 1 1 3 3 ALA N N 3 126.160 126.160 123.351 2.809 25971
647 1 11 . 1 1 3 3 ALA HA H 3 3.913 3.913 4.072 -0.159 25971
648 1 11 . 1 1 3 3 ALA CA C 3 52.174 52.174 52.877 -0.702 25971
649 1 11 . 1 1 3 3 ALA CB C 3 19.322 19.322 19.027 0.295 25971
650 1 11 . 1 1 3 3 ALA H H 3 8.281 8.281 8.671 -0.390 25971
651 1 11 . 1 1 4 4 SER N N 4 114.350 114.350 117.226 -2.876 25971
652 1 11 . 1 1 4 4 SER HA H 4 4.068 4.068 4.041 0.027 25971
653 1 11 . 1 1 4 4 SER CA C 4 60.061 60.061 59.292 0.769 25971
654 1 11 . 1 1 4 4 SER CB C 4 62.898 62.898 62.703 0.195 25971
655 1 11 . 1 1 4 4 SER H H 4 8.292 8.292 8.849 -0.557 25971
656 1 11 . 1 1 5 5 GLY N N 5 112.193 112.193 106.596 5.597 25971
657 1 11 . 1 1 5 5 GLY CA C 5 45.201 45.201 45.656 -0.455 25971
658 1 11 . 1 1 5 5 GLY H H 5 8.618 8.618 7.416 1.202 25971
659 1 11 . 1 1 6 6 CYS N N 6 118.252 118.252 116.960 1.292 25971
660 1 11 . 1 1 6 6 CYS HA H 6 4.998 4.998 4.052 0.946 25971
661 1 11 . 1 1 6 6 CYS CA C 6 55.916 55.916 60.252 -4.336 25971
662 1 11 . 1 1 6 6 CYS CB C 6 47.041 47.041 27.609 19.432 25971
663 1 11 . 1 1 6 6 CYS H H 6 7.941 7.941 7.855 0.086 25971
664 1 11 . 1 1 7 7 ARG N N 7 121.253 121.253 121.385 -0.132 25971
665 1 11 . 1 1 7 7 ARG HA H 7 4.461 4.461 4.522 -0.061 25971
666 1 11 . 1 1 7 7 ARG CA C 7 55.039 55.039 55.374 -0.335 25971
667 1 11 . 1 1 7 7 ARG CB C 7 32.252 32.252 32.299 -0.047 25971
668 1 11 . 1 1 7 7 ARG H H 7 8.626 8.626 8.111 0.515 25971
669 1 11 . 1 1 8 8 LYS N N 8 123.490 123.490 123.033 0.457 25971
670 1 11 . 1 1 8 8 LYS HA H 8 4.361 4.361 4.841 -0.480 25971
671 1 11 . 1 1 8 8 LYS CA C 8 56.880 56.880 56.537 0.343 25971
672 1 11 . 1 1 8 8 LYS CB C 8 32.958 32.958 33.637 -0.679 25971
673 1 11 . 1 1 8 8 LYS H H 8 8.450 8.450 8.489 -0.039 25971
674 1 11 . 1 1 9 9 LYS N N 9 124.147 124.147 120.642 3.505 25971
675 1 11 . 1 1 9 9 LYS HA H 9 4.295 4.295 4.562 -0.267 25971
676 1 11 . 1 1 9 9 LYS CA C 9 55.640 55.640 54.737 0.903 25971
677 1 11 . 1 1 9 9 LYS CB C 9 33.301 33.301 33.831 -0.530 25971
678 1 11 . 1 1 9 9 LYS H H 9 8.035 8.035 8.321 -0.286 25971
679 1 11 . 1 1 10 10 ARG N N 10 122.770 122.770 121.791 0.979 25971
680 1 11 . 1 1 10 10 ARG HA H 10 3.915 3.915 4.117 -0.202 25971
681 1 11 . 1 1 10 10 ARG CA C 10 58.177 58.177 58.599 -0.422 25971
682 1 11 . 1 1 10 10 ARG CB C 10 30.043 30.043 30.108 -0.066 25971
683 1 11 . 1 1 10 10 ARG H H 10 8.587 8.587 8.876 -0.289 25971
684 1 11 . 1 1 11 11 HIS N N 11 115.588 115.588 113.898 1.690 25971
685 1 11 . 1 1 11 11 HIS HA H 11 4.608 4.608 4.437 0.171 25971
686 1 11 . 1 1 11 11 HIS CA C 11 55.459 55.459 56.134 -0.675 25971
687 1 11 . 1 1 11 11 HIS CB C 11 28.133 28.133 30.020 -1.887 25971
688 1 11 . 1 1 11 11 HIS H H 11 8.513 8.513 8.439 0.074 25971
689 1 11 . 1 1 12 12 GLY N N 12 108.461 108.461 106.863 1.598 25971
690 1 11 . 1 1 12 12 GLY CA C 12 45.018 45.018 45.102 -0.084 25971
691 1 11 . 1 1 12 12 GLY H H 12 7.823 7.823 8.005 -0.182 25971
692 1 11 . 1 1 13 13 GLY N N 13 108.511 108.511 108.294 0.217 25971
693 1 11 . 1 1 13 13 GLY CA C 13 44.621 44.621 44.728 -0.107 25971
694 1 11 . 1 1 13 13 GLY H H 13 8.064 8.064 8.068 -0.004 25971
695 1 11 . 1 1 14 14 CYS N N 14 118.343 118.343 117.510 0.833 25971
696 1 11 . 1 1 14 14 CYS HA H 14 5.069 5.069 5.207 -0.138 25971
697 1 11 . 1 1 14 14 CYS CA C 14 54.878 54.878 57.584 -2.706 25971
698 1 11 . 1 1 14 14 CYS CB C 14 43.567 43.567 29.433 14.134 25971
699 1 11 . 1 1 14 14 CYS H H 14 8.539 8.539 8.170 0.369 25971
700 1 11 . 1 1 15 15 SER N N 15 119.360 119.360 119.428 -0.068 25971
701 1 11 . 1 1 15 15 SER HA H 15 4.623 4.623 4.738 -0.115 25971
702 1 11 . 1 1 15 15 SER CA C 15 57.394 57.394 58.157 -0.763 25971
703 1 11 . 1 1 15 15 SER CB C 15 63.882 63.882 63.245 0.637 25971
704 1 11 . 1 1 15 15 SER H H 15 9.184 9.184 8.894 0.290 25971
705 1 12 . 1 1 2 2 CYS N N 2 121.932 121.932 123.171 -1.239 25971
706 1 12 . 1 1 2 2 CYS HA H 2 4.595 4.595 4.653 -0.058 25971
707 1 12 . 1 1 2 2 CYS CA C 2 53.107 53.107 57.591 -4.484 25971
708 1 12 . 1 1 2 2 CYS CB C 2 40.932 40.932 30.847 10.085 25971
709 1 12 . 1 1 2 2 CYS H H 2 8.107 8.107 8.038 0.069 25971
710 1 12 . 1 1 3 3 ALA N N 3 126.160 126.160 123.407 2.753 25971
711 1 12 . 1 1 3 3 ALA HA H 3 3.913 3.913 4.111 -0.198 25971
712 1 12 . 1 1 3 3 ALA CA C 3 52.174 52.174 53.076 -0.902 25971
713 1 12 . 1 1 3 3 ALA CB C 3 19.322 19.322 18.762 0.560 25971
714 1 12 . 1 1 3 3 ALA H H 3 8.281 8.281 8.595 -0.314 25971
715 1 12 . 1 1 4 4 SER N N 4 114.350 114.350 117.649 -3.299 25971
716 1 12 . 1 1 4 4 SER HA H 4 4.068 4.068 4.130 -0.062 25971
717 1 12 . 1 1 4 4 SER CA C 4 60.061 60.061 59.338 0.723 25971
718 1 12 . 1 1 4 4 SER CB C 4 62.898 62.898 62.717 0.181 25971
719 1 12 . 1 1 4 4 SER H H 4 8.292 8.292 8.915 -0.623 25971
720 1 12 . 1 1 5 5 GLY N N 5 112.193 112.193 106.970 5.223 25971
721 1 12 . 1 1 5 5 GLY CA C 5 45.201 45.201 45.483 -0.282 25971
722 1 12 . 1 1 5 5 GLY H H 5 8.618 8.618 7.350 1.268 25971
723 1 12 . 1 1 6 6 CYS N N 6 118.252 118.252 117.386 0.866 25971
724 1 12 . 1 1 6 6 CYS HA H 6 4.998 4.998 4.157 0.841 25971
725 1 12 . 1 1 6 6 CYS CA C 6 55.916 55.916 59.682 -3.766 25971
726 1 12 . 1 1 6 6 CYS CB C 6 47.041 47.041 28.293 18.748 25971
727 1 12 . 1 1 6 6 CYS H H 6 7.941 7.941 7.468 0.473 25971
728 1 12 . 1 1 7 7 ARG N N 7 121.253 121.253 121.526 -0.273 25971
729 1 12 . 1 1 7 7 ARG HA H 7 4.461 4.461 4.460 0.001 25971
730 1 12 . 1 1 7 7 ARG CA C 7 55.039 55.039 55.576 -0.537 25971
731 1 12 . 1 1 7 7 ARG CB C 7 32.252 32.252 31.740 0.512 25971
732 1 12 . 1 1 7 7 ARG H H 7 8.626 8.626 8.111 0.515 25971
733 1 12 . 1 1 8 8 LYS N N 8 123.490 123.490 123.592 -0.102 25971
734 1 12 . 1 1 8 8 LYS HA H 8 4.361 4.361 4.721 -0.360 25971
735 1 12 . 1 1 8 8 LYS CA C 8 56.880 56.880 56.666 0.214 25971
736 1 12 . 1 1 8 8 LYS CB C 8 32.958 32.958 33.537 -0.579 25971
737 1 12 . 1 1 8 8 LYS H H 8 8.450 8.450 8.485 -0.035 25971
738 1 12 . 1 1 9 9 LYS N N 9 124.147 124.147 120.325 3.822 25971
739 1 12 . 1 1 9 9 LYS HA H 9 4.295 4.295 4.691 -0.396 25971
740 1 12 . 1 1 9 9 LYS CA C 9 55.640 55.640 54.679 0.961 25971
741 1 12 . 1 1 9 9 LYS CB C 9 33.301 33.301 34.745 -1.444 25971
742 1 12 . 1 1 9 9 LYS H H 9 8.035 8.035 8.239 -0.204 25971
743 1 12 . 1 1 10 10 ARG N N 10 122.770 122.770 122.422 0.348 25971
744 1 12 . 1 1 10 10 ARG HA H 10 3.915 3.915 4.188 -0.273 25971
745 1 12 . 1 1 10 10 ARG CA C 10 58.177 58.177 58.441 -0.264 25971
746 1 12 . 1 1 10 10 ARG CB C 10 30.043 30.043 29.646 0.397 25971
747 1 12 . 1 1 10 10 ARG H H 10 8.587 8.587 8.941 -0.354 25971
748 1 12 . 1 1 11 11 HIS N N 11 115.588 115.588 116.713 -1.125 25971
749 1 12 . 1 1 11 11 HIS HA H 11 4.608 4.608 4.502 0.106 25971
750 1 12 . 1 1 11 11 HIS CA C 11 55.459 55.459 55.970 -0.511 25971
751 1 12 . 1 1 11 11 HIS CB C 11 28.133 28.133 30.169 -2.036 25971
752 1 12 . 1 1 11 11 HIS H H 11 8.513 8.513 8.496 0.017 25971
753 1 12 . 1 1 12 12 GLY N N 12 108.461 108.461 107.304 1.157 25971
754 1 12 . 1 1 12 12 GLY CA C 12 45.018 45.018 45.124 -0.106 25971
755 1 12 . 1 1 12 12 GLY H H 12 7.823 7.823 8.066 -0.243 25971
756 1 12 . 1 1 13 13 GLY N N 13 108.511 108.511 108.140 0.371 25971
757 1 12 . 1 1 13 13 GLY CA C 13 44.621 44.621 44.491 0.130 25971
758 1 12 . 1 1 13 13 GLY H H 13 8.064 8.064 8.076 -0.012 25971
759 1 12 . 1 1 14 14 CYS N N 14 118.343 118.343 117.409 0.934 25971
760 1 12 . 1 1 14 14 CYS HA H 14 5.069 5.069 5.173 -0.104 25971
761 1 12 . 1 1 14 14 CYS CA C 14 54.878 54.878 57.560 -2.682 25971
762 1 12 . 1 1 14 14 CYS CB C 14 43.567 43.567 29.683 13.884 25971
763 1 12 . 1 1 14 14 CYS H H 14 8.539 8.539 8.165 0.374 25971
764 1 12 . 1 1 15 15 SER N N 15 119.360 119.360 119.019 0.341 25971
765 1 12 . 1 1 15 15 SER HA H 15 4.623 4.623 4.739 -0.116 25971
766 1 12 . 1 1 15 15 SER CA C 15 57.394 57.394 58.376 -0.982 25971
767 1 12 . 1 1 15 15 SER CB C 15 63.882 63.882 63.766 0.116 25971
768 1 12 . 1 1 15 15 SER H H 15 9.184 9.184 8.915 0.269 25971
769 1 13 . 1 1 2 2 CYS N N 2 121.932 121.932 122.750 -0.818 25971
770 1 13 . 1 1 2 2 CYS HA H 2 4.595 4.595 4.614 -0.019 25971
771 1 13 . 1 1 2 2 CYS CA C 2 53.107 53.107 57.651 -4.544 25971
772 1 13 . 1 1 2 2 CYS CB C 2 40.932 40.932 31.469 9.463 25971
773 1 13 . 1 1 2 2 CYS H H 2 8.107 8.107 7.667 0.440 25971
774 1 13 . 1 1 3 3 ALA N N 3 126.160 126.160 122.716 3.444 25971
775 1 13 . 1 1 3 3 ALA HA H 3 3.913 3.913 4.080 -0.167 25971
776 1 13 . 1 1 3 3 ALA CA C 3 52.174 52.174 52.717 -0.543 25971
777 1 13 . 1 1 3 3 ALA CB C 3 19.322 19.322 19.015 0.307 25971
778 1 13 . 1 1 3 3 ALA H H 3 8.281 8.281 8.616 -0.335 25971
779 1 13 . 1 1 4 4 SER N N 4 114.350 114.350 116.927 -2.577 25971
780 1 13 . 1 1 4 4 SER HA H 4 4.068 4.068 4.015 0.053 25971
781 1 13 . 1 1 4 4 SER CA C 4 60.061 60.061 58.704 1.357 25971
782 1 13 . 1 1 4 4 SER CB C 4 62.898 62.898 62.698 0.200 25971
783 1 13 . 1 1 4 4 SER H H 4 8.292 8.292 8.882 -0.590 25971
784 1 13 . 1 1 5 5 GLY N N 5 112.193 112.193 106.054 6.139 25971
785 1 13 . 1 1 5 5 GLY CA C 5 45.201 45.201 45.547 -0.346 25971
786 1 13 . 1 1 5 5 GLY H H 5 8.618 8.618 7.394 1.224 25971
787 1 13 . 1 1 6 6 CYS N N 6 118.252 118.252 117.355 0.897 25971
788 1 13 . 1 1 6 6 CYS HA H 6 4.998 4.998 4.078 0.920 25971
789 1 13 . 1 1 6 6 CYS CA C 6 55.916 55.916 60.481 -4.565 25971
790 1 13 . 1 1 6 6 CYS CB C 6 47.041 47.041 27.535 19.506 25971
791 1 13 . 1 1 6 6 CYS H H 6 7.941 7.941 7.836 0.105 25971
792 1 13 . 1 1 7 7 ARG N N 7 121.253 121.253 120.852 0.401 25971
793 1 13 . 1 1 7 7 ARG HA H 7 4.461 4.461 4.511 -0.050 25971
794 1 13 . 1 1 7 7 ARG CA C 7 55.039 55.039 54.821 0.218 25971
795 1 13 . 1 1 7 7 ARG CB C 7 32.252 32.252 32.094 0.158 25971
796 1 13 . 1 1 7 7 ARG H H 7 8.626 8.626 8.080 0.546 25971
797 1 13 . 1 1 8 8 LYS N N 8 123.490 123.490 121.773 1.717 25971
798 1 13 . 1 1 8 8 LYS HA H 8 4.361 4.361 4.787 -0.426 25971
799 1 13 . 1 1 8 8 LYS CA C 8 56.880 56.880 56.332 0.548 25971
800 1 13 . 1 1 8 8 LYS CB C 8 32.958 32.958 33.787 -0.829 25971
801 1 13 . 1 1 8 8 LYS H H 8 8.450 8.450 8.394 0.056 25971
802 1 13 . 1 1 9 9 LYS N N 9 124.147 124.147 119.960 4.187 25971
803 1 13 . 1 1 9 9 LYS HA H 9 4.295 4.295 4.654 -0.359 25971
804 1 13 . 1 1 9 9 LYS CA C 9 55.640 55.640 54.815 0.825 25971
805 1 13 . 1 1 9 9 LYS CB C 9 33.301 33.301 34.663 -1.362 25971
806 1 13 . 1 1 9 9 LYS H H 9 8.035 8.035 8.167 -0.132 25971
807 1 13 . 1 1 10 10 ARG N N 10 122.770 122.770 122.352 0.418 25971
808 1 13 . 1 1 10 10 ARG HA H 10 3.915 3.915 4.139 -0.224 25971
809 1 13 . 1 1 10 10 ARG CA C 10 58.177 58.177 58.261 -0.084 25971
810 1 13 . 1 1 10 10 ARG CB C 10 30.043 30.043 29.602 0.440 25971
811 1 13 . 1 1 10 10 ARG H H 10 8.587 8.587 8.919 -0.332 25971
812 1 13 . 1 1 11 11 HIS N N 11 115.588 115.588 114.034 1.554 25971
813 1 13 . 1 1 11 11 HIS HA H 11 4.608 4.608 4.442 0.166 25971
814 1 13 . 1 1 11 11 HIS CA C 11 55.459 55.459 56.083 -0.624 25971
815 1 13 . 1 1 11 11 HIS CB C 11 28.133 28.133 30.019 -1.886 25971
816 1 13 . 1 1 11 11 HIS H H 11 8.513 8.513 8.334 0.179 25971
817 1 13 . 1 1 12 12 GLY N N 12 108.461 108.461 107.094 1.367 25971
818 1 13 . 1 1 12 12 GLY CA C 12 45.018 45.018 45.114 -0.096 25971
819 1 13 . 1 1 12 12 GLY H H 12 7.823 7.823 8.165 -0.342 25971
820 1 13 . 1 1 13 13 GLY N N 13 108.511 108.511 108.032 0.479 25971
821 1 13 . 1 1 13 13 GLY CA C 13 44.621 44.621 44.434 0.187 25971
822 1 13 . 1 1 13 13 GLY H H 13 8.064 8.064 8.064 0.000 25971
823 1 13 . 1 1 14 14 CYS N N 14 118.343 118.343 117.326 1.017 25971
824 1 13 . 1 1 14 14 CYS HA H 14 5.069 5.069 5.281 -0.212 25971
825 1 13 . 1 1 14 14 CYS CA C 14 54.878 54.878 57.457 -2.579 25971
826 1 13 . 1 1 14 14 CYS CB C 14 43.567 43.567 29.889 13.678 25971
827 1 13 . 1 1 14 14 CYS H H 14 8.539 8.539 8.174 0.365 25971
828 1 13 . 1 1 15 15 SER N N 15 119.360 119.360 118.216 1.144 25971
829 1 13 . 1 1 15 15 SER HA H 15 4.623 4.623 4.838 -0.215 25971
830 1 13 . 1 1 15 15 SER CA C 15 57.394 57.394 57.938 -0.544 25971
831 1 13 . 1 1 15 15 SER CB C 15 63.882 63.882 63.916 -0.034 25971
832 1 13 . 1 1 15 15 SER H H 15 9.184 9.184 8.862 0.322 25971
833 1 14 . 1 1 2 2 CYS N N 2 121.932 121.932 123.555 -1.623 25971
834 1 14 . 1 1 2 2 CYS HA H 2 4.595 4.595 4.676 -0.081 25971
835 1 14 . 1 1 2 2 CYS CA C 2 53.107 53.107 57.901 -4.794 25971
836 1 14 . 1 1 2 2 CYS CB C 2 40.932 40.932 31.919 9.013 25971
837 1 14 . 1 1 2 2 CYS H H 2 8.107 8.107 8.154 -0.047 25971
838 1 14 . 1 1 3 3 ALA N N 3 126.160 126.160 122.528 3.632 25971
839 1 14 . 1 1 3 3 ALA HA H 3 3.913 3.913 3.959 -0.046 25971
840 1 14 . 1 1 3 3 ALA CA C 3 52.174 52.174 53.042 -0.869 25971
841 1 14 . 1 1 3 3 ALA CB C 3 19.322 19.322 18.970 0.352 25971
842 1 14 . 1 1 3 3 ALA H H 3 8.281 8.281 8.609 -0.328 25971
843 1 14 . 1 1 4 4 SER N N 4 114.350 114.350 116.367 -2.017 25971
844 1 14 . 1 1 4 4 SER HA H 4 4.068 4.068 4.006 0.062 25971
845 1 14 . 1 1 4 4 SER CA C 4 60.061 60.061 58.811 1.250 25971
846 1 14 . 1 1 4 4 SER CB C 4 62.898 62.898 62.739 0.160 25971
847 1 14 . 1 1 4 4 SER H H 4 8.292 8.292 8.861 -0.569 25971
848 1 14 . 1 1 5 5 GLY N N 5 112.193 112.193 105.886 6.307 25971
849 1 14 . 1 1 5 5 GLY CA C 5 45.201 45.201 45.499 -0.298 25971
850 1 14 . 1 1 5 5 GLY H H 5 8.618 8.618 7.421 1.197 25971
851 1 14 . 1 1 6 6 CYS N N 6 118.252 118.252 117.141 1.111 25971
852 1 14 . 1 1 6 6 CYS HA H 6 4.998 4.998 4.039 0.959 25971
853 1 14 . 1 1 6 6 CYS CA C 6 55.916 55.916 60.472 -4.556 25971
854 1 14 . 1 1 6 6 CYS CB C 6 47.041 47.041 27.630 19.411 25971
855 1 14 . 1 1 6 6 CYS H H 6 7.941 7.941 7.770 0.171 25971
856 1 14 . 1 1 7 7 ARG N N 7 121.253 121.253 120.836 0.417 25971
857 1 14 . 1 1 7 7 ARG HA H 7 4.461 4.461 4.503 -0.042 25971
858 1 14 . 1 1 7 7 ARG CA C 7 55.039 55.039 55.395 -0.356 25971
859 1 14 . 1 1 7 7 ARG CB C 7 32.252 32.252 32.280 -0.028 25971
860 1 14 . 1 1 7 7 ARG H H 7 8.626 8.626 8.312 0.314 25971
861 1 14 . 1 1 8 8 LYS N N 8 123.490 123.490 121.447 2.043 25971
862 1 14 . 1 1 8 8 LYS HA H 8 4.361 4.361 4.903 -0.542 25971
863 1 14 . 1 1 8 8 LYS CA C 8 56.880 56.880 55.498 1.382 25971
864 1 14 . 1 1 8 8 LYS CB C 8 32.958 32.958 33.854 -0.896 25971
865 1 14 . 1 1 8 8 LYS H H 8 8.450 8.450 8.422 0.028 25971
866 1 14 . 1 1 9 9 LYS N N 9 124.147 124.147 119.075 5.072 25971
867 1 14 . 1 1 9 9 LYS HA H 9 4.295 4.295 4.657 -0.362 25971
868 1 14 . 1 1 9 9 LYS CA C 9 55.640 55.640 54.800 0.841 25971
869 1 14 . 1 1 9 9 LYS CB C 9 33.301 33.301 34.650 -1.349 25971
870 1 14 . 1 1 9 9 LYS H H 9 8.035 8.035 8.273 -0.238 25971
871 1 14 . 1 1 10 10 ARG N N 10 122.770 122.770 121.982 0.788 25971
872 1 14 . 1 1 10 10 ARG HA H 10 3.915 3.915 4.070 -0.155 25971
873 1 14 . 1 1 10 10 ARG CA C 10 58.177 58.177 58.381 -0.204 25971
874 1 14 . 1 1 10 10 ARG CB C 10 30.043 30.043 29.928 0.115 25971
875 1 14 . 1 1 10 10 ARG H H 10 8.587 8.587 9.060 -0.473 25971
876 1 14 . 1 1 11 11 HIS N N 11 115.588 115.588 114.477 1.111 25971
877 1 14 . 1 1 11 11 HIS HA H 11 4.608 4.608 4.497 0.111 25971
878 1 14 . 1 1 11 11 HIS CA C 11 55.459 55.459 56.518 -1.059 25971
879 1 14 . 1 1 11 11 HIS CB C 11 28.133 28.133 29.937 -1.804 25971
880 1 14 . 1 1 11 11 HIS H H 11 8.513 8.513 8.300 0.213 25971
881 1 14 . 1 1 12 12 GLY N N 12 108.461 108.461 107.520 0.941 25971
882 1 14 . 1 1 12 12 GLY CA C 12 45.018 45.018 45.151 -0.133 25971
883 1 14 . 1 1 12 12 GLY H H 12 7.823 7.823 8.232 -0.409 25971
884 1 14 . 1 1 13 13 GLY N N 13 108.511 108.511 107.897 0.614 25971
885 1 14 . 1 1 13 13 GLY CA C 13 44.621 44.621 44.328 0.293 25971
886 1 14 . 1 1 13 13 GLY H H 13 8.064 8.064 8.012 0.052 25971
887 1 14 . 1 1 14 14 CYS N N 14 118.343 118.343 116.527 1.816 25971
888 1 14 . 1 1 14 14 CYS HA H 14 5.069 5.069 5.260 -0.191 25971
889 1 14 . 1 1 14 14 CYS CA C 14 54.878 54.878 57.454 -2.576 25971
890 1 14 . 1 1 14 14 CYS CB C 14 43.567 43.567 30.495 13.072 25971
891 1 14 . 1 1 14 14 CYS H H 14 8.539 8.539 8.104 0.435 25971
892 1 14 . 1 1 15 15 SER N N 15 119.360 119.360 118.058 1.302 25971
893 1 14 . 1 1 15 15 SER HA H 15 4.623 4.623 4.788 -0.165 25971
894 1 14 . 1 1 15 15 SER CA C 15 57.394 57.394 57.190 0.204 25971
895 1 14 . 1 1 15 15 SER CB C 15 63.882 63.882 63.059 0.823 25971
896 1 14 . 1 1 15 15 SER H H 15 9.184 9.184 8.788 0.396 25971
897 1 15 . 1 1 2 2 CYS N N 2 121.932 121.932 122.859 -0.927 25971
898 1 15 . 1 1 2 2 CYS HA H 2 4.595 4.595 4.647 -0.052 25971
899 1 15 . 1 1 2 2 CYS CA C 2 53.107 53.107 57.747 -4.640 25971
900 1 15 . 1 1 2 2 CYS CB C 2 40.932 40.932 31.877 9.055 25971
901 1 15 . 1 1 2 2 CYS H H 2 8.107 8.107 8.040 0.067 25971
902 1 15 . 1 1 3 3 ALA N N 3 126.160 126.160 122.819 3.341 25971
903 1 15 . 1 1 3 3 ALA HA H 3 3.913 3.913 3.963 -0.050 25971
904 1 15 . 1 1 3 3 ALA CA C 3 52.174 52.174 53.096 -0.922 25971
905 1 15 . 1 1 3 3 ALA CB C 3 19.322 19.322 18.954 0.368 25971
906 1 15 . 1 1 3 3 ALA H H 3 8.281 8.281 8.603 -0.322 25971
907 1 15 . 1 1 4 4 SER N N 4 114.350 114.350 116.632 -2.282 25971
908 1 15 . 1 1 4 4 SER HA H 4 4.068 4.068 4.021 0.047 25971
909 1 15 . 1 1 4 4 SER CA C 4 60.061 60.061 58.714 1.347 25971
910 1 15 . 1 1 4 4 SER CB C 4 62.898 62.898 62.603 0.295 25971
911 1 15 . 1 1 4 4 SER H H 4 8.292 8.292 8.900 -0.608 25971
912 1 15 . 1 1 5 5 GLY N N 5 112.193 112.193 106.188 6.005 25971
913 1 15 . 1 1 5 5 GLY CA C 5 45.201 45.201 45.556 -0.355 25971
914 1 15 . 1 1 5 5 GLY H H 5 8.618 8.618 7.439 1.179 25971
915 1 15 . 1 1 6 6 CYS N N 6 118.252 118.252 117.043 1.209 25971
916 1 15 . 1 1 6 6 CYS HA H 6 4.998 4.998 4.016 0.982 25971
917 1 15 . 1 1 6 6 CYS CA C 6 55.916 55.916 60.332 -4.416 25971
918 1 15 . 1 1 6 6 CYS CB C 6 47.041 47.041 27.645 19.396 25971
919 1 15 . 1 1 6 6 CYS H H 6 7.941 7.941 7.737 0.204 25971
920 1 15 . 1 1 7 7 ARG N N 7 121.253 121.253 120.559 0.694 25971
921 1 15 . 1 1 7 7 ARG HA H 7 4.461 4.461 4.533 -0.072 25971
922 1 15 . 1 1 7 7 ARG CA C 7 55.039 55.039 54.394 0.645 25971
923 1 15 . 1 1 7 7 ARG CB C 7 32.252 32.252 32.258 -0.006 25971
924 1 15 . 1 1 7 7 ARG H H 7 8.626 8.626 8.220 0.406 25971
925 1 15 . 1 1 8 8 LYS N N 8 123.490 123.490 121.990 1.500 25971
926 1 15 . 1 1 8 8 LYS HA H 8 4.361 4.361 4.919 -0.558 25971
927 1 15 . 1 1 8 8 LYS CA C 8 56.880 56.880 55.447 1.433 25971
928 1 15 . 1 1 8 8 LYS CB C 8 32.958 32.958 33.644 -0.686 25971
929 1 15 . 1 1 8 8 LYS H H 8 8.450 8.450 8.413 0.037 25971
930 1 15 . 1 1 9 9 LYS N N 9 124.147 124.147 119.419 4.728 25971
931 1 15 . 1 1 9 9 LYS HA H 9 4.295 4.295 4.702 -0.407 25971
932 1 15 . 1 1 9 9 LYS CA C 9 55.640 55.640 54.639 1.001 25971
933 1 15 . 1 1 9 9 LYS CB C 9 33.301 33.301 34.836 -1.535 25971
934 1 15 . 1 1 9 9 LYS H H 9 8.035 8.035 8.177 -0.142 25971
935 1 15 . 1 1 10 10 ARG N N 10 122.770 122.770 122.022 0.748 25971
936 1 15 . 1 1 10 10 ARG HA H 10 3.915 3.915 4.116 -0.201 25971
937 1 15 . 1 1 10 10 ARG CA C 10 58.177 58.177 58.460 -0.283 25971
938 1 15 . 1 1 10 10 ARG CB C 10 30.043 30.043 30.159 -0.116 25971
939 1 15 . 1 1 10 10 ARG H H 10 8.587 8.587 8.973 -0.386 25971
940 1 15 . 1 1 11 11 HIS N N 11 115.588 115.588 113.949 1.639 25971
941 1 15 . 1 1 11 11 HIS HA H 11 4.608 4.608 4.474 0.134 25971
942 1 15 . 1 1 11 11 HIS CA C 11 55.459 55.459 56.269 -0.810 25971
943 1 15 . 1 1 11 11 HIS CB C 11 28.133 28.133 30.135 -2.002 25971
944 1 15 . 1 1 11 11 HIS H H 11 8.513 8.513 8.406 0.107 25971
945 1 15 . 1 1 12 12 GLY N N 12 108.461 108.461 107.233 1.228 25971
946 1 15 . 1 1 12 12 GLY CA C 12 45.018 45.018 45.131 -0.113 25971
947 1 15 . 1 1 12 12 GLY H H 12 7.823 7.823 8.213 -0.390 25971
948 1 15 . 1 1 13 13 GLY N N 13 108.511 108.511 107.891 0.620 25971
949 1 15 . 1 1 13 13 GLY CA C 13 44.621 44.621 44.261 0.360 25971
950 1 15 . 1 1 13 13 GLY H H 13 8.064 8.064 8.029 0.035 25971
951 1 15 . 1 1 14 14 CYS N N 14 118.343 118.343 116.238 2.105 25971
952 1 15 . 1 1 14 14 CYS HA H 14 5.069 5.069 5.235 -0.166 25971
953 1 15 . 1 1 14 14 CYS CA C 14 54.878 54.878 57.440 -2.562 25971
954 1 15 . 1 1 14 14 CYS CB C 14 43.567 43.567 30.598 12.969 25971
955 1 15 . 1 1 14 14 CYS H H 14 8.539 8.539 8.072 0.467 25971
956 1 15 . 1 1 15 15 SER N N 15 119.360 119.360 117.591 1.769 25971
957 1 15 . 1 1 15 15 SER HA H 15 4.623 4.623 4.786 -0.163 25971
958 1 15 . 1 1 15 15 SER CA C 15 57.394 57.394 57.376 0.018 25971
959 1 15 . 1 1 15 15 SER CB C 15 63.882 63.882 63.340 0.542 25971
960 1 15 . 1 1 15 15 SER H H 15 9.184 9.184 8.743 0.441 25971
961 1 16 . 1 1 2 2 CYS N N 2 121.932 121.932 122.598 -0.666 25971
962 1 16 . 1 1 2 2 CYS HA H 2 4.595 4.595 4.519 0.076 25971
963 1 16 . 1 1 2 2 CYS CA C 2 53.107 53.107 58.022 -4.915 25971
964 1 16 . 1 1 2 2 CYS CB C 2 40.932 40.932 31.687 9.245 25971
965 1 16 . 1 1 2 2 CYS H H 2 8.107 8.107 7.749 0.358 25971
966 1 16 . 1 1 3 3 ALA N N 3 126.160 126.160 122.830 3.330 25971
967 1 16 . 1 1 3 3 ALA HA H 3 3.913 3.913 3.978 -0.065 25971
968 1 16 . 1 1 3 3 ALA CA C 3 52.174 52.174 53.032 -0.858 25971
969 1 16 . 1 1 3 3 ALA CB C 3 19.322 19.322 18.973 0.349 25971
970 1 16 . 1 1 3 3 ALA H H 3 8.281 8.281 8.563 -0.282 25971
971 1 16 . 1 1 4 4 SER N N 4 114.350 114.350 116.764 -2.414 25971
972 1 16 . 1 1 4 4 SER HA H 4 4.068 4.068 4.005 0.063 25971
973 1 16 . 1 1 4 4 SER CA C 4 60.061 60.061 58.888 1.173 25971
974 1 16 . 1 1 4 4 SER CB C 4 62.898 62.898 62.619 0.279 25971
975 1 16 . 1 1 4 4 SER H H 4 8.292 8.292 8.861 -0.569 25971
976 1 16 . 1 1 5 5 GLY N N 5 112.193 112.193 106.591 5.602 25971
977 1 16 . 1 1 5 5 GLY CA C 5 45.201 45.201 45.524 -0.323 25971
978 1 16 . 1 1 5 5 GLY H H 5 8.618 8.618 7.428 1.190 25971
979 1 16 . 1 1 6 6 CYS N N 6 118.252 118.252 117.305 0.947 25971
980 1 16 . 1 1 6 6 CYS HA H 6 4.998 4.998 4.115 0.883 25971
981 1 16 . 1 1 6 6 CYS CA C 6 55.916 55.916 60.257 -4.340 25971
982 1 16 . 1 1 6 6 CYS CB C 6 47.041 47.041 27.831 19.210 25971
983 1 16 . 1 1 6 6 CYS H H 6 7.941 7.941 7.637 0.304 25971
984 1 16 . 1 1 7 7 ARG N N 7 121.253 121.253 121.626 -0.373 25971
985 1 16 . 1 1 7 7 ARG HA H 7 4.461 4.461 4.519 -0.058 25971
986 1 16 . 1 1 7 7 ARG CA C 7 55.039 55.039 54.823 0.216 25971
987 1 16 . 1 1 7 7 ARG CB C 7 32.252 32.252 31.929 0.323 25971
988 1 16 . 1 1 7 7 ARG H H 7 8.626 8.626 8.290 0.336 25971
989 1 16 . 1 1 8 8 LYS N N 8 123.490 123.490 125.128 -1.638 25971
990 1 16 . 1 1 8 8 LYS HA H 8 4.361 4.361 4.418 -0.057 25971
991 1 16 . 1 1 8 8 LYS CA C 8 56.880 56.880 57.555 -0.675 25971
992 1 16 . 1 1 8 8 LYS CB C 8 32.958 32.958 33.164 -0.206 25971
993 1 16 . 1 1 8 8 LYS H H 8 8.450 8.450 8.651 -0.201 25971
994 1 16 . 1 1 9 9 LYS N N 9 124.147 124.147 121.027 3.120 25971
995 1 16 . 1 1 9 9 LYS HA H 9 4.295 4.295 4.593 -0.298 25971
996 1 16 . 1 1 9 9 LYS CA C 9 55.640 55.640 54.545 1.095 25971
997 1 16 . 1 1 9 9 LYS CB C 9 33.301 33.301 34.233 -0.933 25971
998 1 16 . 1 1 9 9 LYS H H 9 8.035 8.035 8.137 -0.102 25971
999 1 16 . 1 1 10 10 ARG N N 10 122.770 122.770 121.350 1.420 25971
1000 1 16 . 1 1 10 10 ARG HA H 10 3.915 3.915 4.150 -0.235 25971
1001 1 16 . 1 1 10 10 ARG CA C 10 58.177 58.177 58.272 -0.095 25971
1002 1 16 . 1 1 10 10 ARG CB C 10 30.043 30.043 30.175 -0.132 25971
1003 1 16 . 1 1 10 10 ARG H H 10 8.587 8.587 8.806 -0.219 25971
1004 1 16 . 1 1 11 11 HIS N N 11 115.588 115.588 114.093 1.495 25971
1005 1 16 . 1 1 11 11 HIS HA H 11 4.608 4.608 4.476 0.132 25971
1006 1 16 . 1 1 11 11 HIS CA C 11 55.459 55.459 55.857 -0.398 25971
1007 1 16 . 1 1 11 11 HIS CB C 11 28.133 28.133 30.017 -1.883 25971
1008 1 16 . 1 1 11 11 HIS H H 11 8.513 8.513 8.227 0.286 25971
1009 1 16 . 1 1 12 12 GLY N N 12 108.461 108.461 106.914 1.547 25971
1010 1 16 . 1 1 12 12 GLY CA C 12 45.018 45.018 45.105 -0.087 25971
1011 1 16 . 1 1 12 12 GLY H H 12 7.823 7.823 7.819 0.004 25971
1012 1 16 . 1 1 13 13 GLY N N 13 108.511 108.511 108.182 0.329 25971
1013 1 16 . 1 1 13 13 GLY CA C 13 44.621 44.621 44.551 0.070 25971
1014 1 16 . 1 1 13 13 GLY H H 13 8.064 8.064 8.062 0.002 25971
1015 1 16 . 1 1 14 14 CYS N N 14 118.343 118.343 117.865 0.478 25971
1016 1 16 . 1 1 14 14 CYS HA H 14 5.069 5.069 4.706 0.363 25971
1017 1 16 . 1 1 14 14 CYS CA C 14 54.878 54.878 57.746 -2.868 25971
1018 1 16 . 1 1 14 14 CYS CB C 14 43.567 43.567 28.196 15.371 25971
1019 1 16 . 1 1 14 14 CYS H H 14 8.539 8.539 8.231 0.308 25971
1020 1 16 . 1 1 15 15 SER N N 15 119.360 119.360 119.583 -0.223 25971
1021 1 16 . 1 1 15 15 SER HA H 15 4.623 4.623 4.546 0.077 25971
1022 1 16 . 1 1 15 15 SER CA C 15 57.394 57.394 59.024 -1.630 25971
1023 1 16 . 1 1 15 15 SER CB C 15 63.882 63.882 63.961 -0.079 25971
1024 1 16 . 1 1 15 15 SER H H 15 9.184 9.184 8.751 0.433 25971
1025 1 17 . 1 1 2 2 CYS N N 2 121.932 121.932 121.951 -0.019 25971
1026 1 17 . 1 1 2 2 CYS HA H 2 4.595 4.595 4.642 -0.047 25971
1027 1 17 . 1 1 2 2 CYS CA C 2 53.107 53.107 57.998 -4.891 25971
1028 1 17 . 1 1 2 2 CYS CB C 2 40.932 40.932 31.717 9.215 25971
1029 1 17 . 1 1 2 2 CYS H H 2 8.107 8.107 7.750 0.357 25971
1030 1 17 . 1 1 3 3 ALA N N 3 126.160 126.160 122.557 3.603 25971
1031 1 17 . 1 1 3 3 ALA HA H 3 3.913 3.913 4.078 -0.165 25971
1032 1 17 . 1 1 3 3 ALA CA C 3 52.174 52.174 52.586 -0.412 25971
1033 1 17 . 1 1 3 3 ALA CB C 3 19.322 19.322 18.985 0.337 25971
1034 1 17 . 1 1 3 3 ALA H H 3 8.281 8.281 8.595 -0.314 25971
1035 1 17 . 1 1 4 4 SER N N 4 114.350 114.350 116.695 -2.345 25971
1036 1 17 . 1 1 4 4 SER HA H 4 4.068 4.068 4.001 0.067 25971
1037 1 17 . 1 1 4 4 SER CA C 4 60.061 60.061 58.476 1.585 25971
1038 1 17 . 1 1 4 4 SER CB C 4 62.898 62.898 62.617 0.281 25971
1039 1 17 . 1 1 4 4 SER H H 4 8.292 8.292 8.858 -0.566 25971
1040 1 17 . 1 1 5 5 GLY N N 5 112.193 112.193 106.228 5.965 25971
1041 1 17 . 1 1 5 5 GLY CA C 5 45.201 45.201 45.467 -0.266 25971
1042 1 17 . 1 1 5 5 GLY H H 5 8.618 8.618 7.378 1.240 25971
1043 1 17 . 1 1 6 6 CYS N N 6 118.252 118.252 117.278 0.974 25971
1044 1 17 . 1 1 6 6 CYS HA H 6 4.998 4.998 4.103 0.895 25971
1045 1 17 . 1 1 6 6 CYS CA C 6 55.916 55.916 60.351 -4.435 25971
1046 1 17 . 1 1 6 6 CYS CB C 6 47.041 47.041 27.915 19.126 25971
1047 1 17 . 1 1 6 6 CYS H H 6 7.941 7.941 7.665 0.276 25971
1048 1 17 . 1 1 7 7 ARG N N 7 121.253 121.253 121.687 -0.434 25971
1049 1 17 . 1 1 7 7 ARG HA H 7 4.461 4.461 4.504 -0.043 25971
1050 1 17 . 1 1 7 7 ARG CA C 7 55.039 55.039 54.845 0.194 25971
1051 1 17 . 1 1 7 7 ARG CB C 7 32.252 32.252 31.339 0.913 25971
1052 1 17 . 1 1 7 7 ARG H H 7 8.626 8.626 8.285 0.341 25971
1053 1 17 . 1 1 8 8 LYS N N 8 123.490 123.490 125.838 -2.348 25971
1054 1 17 . 1 1 8 8 LYS HA H 8 4.361 4.361 4.281 0.080 25971
1055 1 17 . 1 1 8 8 LYS CA C 8 56.880 56.880 57.730 -0.850 25971
1056 1 17 . 1 1 8 8 LYS CB C 8 32.958 32.958 33.163 -0.206 25971
1057 1 17 . 1 1 8 8 LYS H H 8 8.450 8.450 8.644 -0.194 25971
1058 1 17 . 1 1 9 9 LYS N N 9 124.147 124.147 121.707 2.440 25971
1059 1 17 . 1 1 9 9 LYS HA H 9 4.295 4.295 4.678 -0.383 25971
1060 1 17 . 1 1 9 9 LYS CA C 9 55.640 55.640 54.622 1.018 25971
1061 1 17 . 1 1 9 9 LYS CB C 9 33.301 33.301 34.991 -1.690 25971
1062 1 17 . 1 1 9 9 LYS H H 9 8.035 8.035 8.184 -0.149 25971
1063 1 17 . 1 1 10 10 ARG N N 10 122.770 122.770 124.639 -1.869 25971
1064 1 17 . 1 1 10 10 ARG HA H 10 3.915 3.915 4.067 -0.152 25971
1065 1 17 . 1 1 10 10 ARG CA C 10 58.177 58.177 58.348 -0.171 25971
1066 1 17 . 1 1 10 10 ARG CB C 10 30.043 30.043 29.312 0.731 25971
1067 1 17 . 1 1 10 10 ARG H H 10 8.587 8.587 8.887 -0.300 25971
1068 1 17 . 1 1 11 11 HIS N N 11 115.588 115.588 115.508 0.080 25971
1069 1 17 . 1 1 11 11 HIS HA H 11 4.608 4.608 4.502 0.106 25971
1070 1 17 . 1 1 11 11 HIS CA C 11 55.459 55.459 56.635 -1.176 25971
1071 1 17 . 1 1 11 11 HIS CB C 11 28.133 28.133 30.029 -1.896 25971
1072 1 17 . 1 1 11 11 HIS H H 11 8.513 8.513 8.292 0.221 25971
1073 1 17 . 1 1 12 12 GLY N N 12 108.461 108.461 107.418 1.043 25971
1074 1 17 . 1 1 12 12 GLY CA C 12 45.018 45.018 45.170 -0.152 25971
1075 1 17 . 1 1 12 12 GLY H H 12 7.823 7.823 8.326 -0.503 25971
1076 1 17 . 1 1 13 13 GLY N N 13 108.511 108.511 107.383 1.128 25971
1077 1 17 . 1 1 13 13 GLY CA C 13 44.621 44.621 44.107 0.514 25971
1078 1 17 . 1 1 13 13 GLY H H 13 8.064 8.064 7.897 0.167 25971
1079 1 17 . 1 1 14 14 CYS N N 14 118.343 118.343 117.682 0.661 25971
1080 1 17 . 1 1 14 14 CYS HA H 14 5.069 5.069 4.781 0.288 25971
1081 1 17 . 1 1 14 14 CYS CA C 14 54.878 54.878 57.766 -2.888 25971
1082 1 17 . 1 1 14 14 CYS CB C 14 43.567 43.567 28.229 15.338 25971
1083 1 17 . 1 1 14 14 CYS H H 14 8.539 8.539 8.205 0.334 25971
1084 1 17 . 1 1 15 15 SER N N 15 119.360 119.360 120.092 -0.732 25971
1085 1 17 . 1 1 15 15 SER HA H 15 4.623 4.623 4.481 0.142 25971
1086 1 17 . 1 1 15 15 SER CA C 15 57.394 57.394 59.713 -2.319 25971
1087 1 17 . 1 1 15 15 SER CB C 15 63.882 63.882 63.597 0.285 25971
1088 1 17 . 1 1 15 15 SER H H 15 9.184 9.184 8.822 0.361 25971
1089 1 18 . 1 1 2 2 CYS N N 2 121.932 121.932 124.180 -2.248 25971
1090 1 18 . 1 1 2 2 CYS HA H 2 4.595 4.595 4.668 -0.073 25971
1091 1 18 . 1 1 2 2 CYS CA C 2 53.107 53.107 57.465 -4.358 25971
1092 1 18 . 1 1 2 2 CYS CB C 2 40.932 40.932 31.217 9.715 25971
1093 1 18 . 1 1 2 2 CYS H H 2 8.107 8.107 7.995 0.112 25971
1094 1 18 . 1 1 3 3 ALA N N 3 126.160 126.160 123.201 2.959 25971
1095 1 18 . 1 1 3 3 ALA HA H 3 3.913 3.913 4.044 -0.131 25971
1096 1 18 . 1 1 3 3 ALA CA C 3 52.174 52.174 53.086 -0.912 25971
1097 1 18 . 1 1 3 3 ALA CB C 3 19.322 19.322 19.026 0.296 25971
1098 1 18 . 1 1 3 3 ALA H H 3 8.281 8.281 8.601 -0.320 25971
1099 1 18 . 1 1 4 4 SER N N 4 114.350 114.350 117.103 -2.753 25971
1100 1 18 . 1 1 4 4 SER HA H 4 4.068 4.068 4.087 -0.019 25971
1101 1 18 . 1 1 4 4 SER CA C 4 60.061 60.061 59.368 0.693 25971
1102 1 18 . 1 1 4 4 SER CB C 4 62.898 62.898 62.727 0.171 25971
1103 1 18 . 1 1 4 4 SER H H 4 8.292 8.292 8.918 -0.626 25971
1104 1 18 . 1 1 5 5 GLY N N 5 112.193 112.193 106.460 5.733 25971
1105 1 18 . 1 1 5 5 GLY CA C 5 45.201 45.201 45.606 -0.405 25971
1106 1 18 . 1 1 5 5 GLY H H 5 8.618 8.618 7.379 1.239 25971
1107 1 18 . 1 1 6 6 CYS N N 6 118.252 118.252 117.198 1.054 25971
1108 1 18 . 1 1 6 6 CYS HA H 6 4.998 4.998 4.013 0.985 25971
1109 1 18 . 1 1 6 6 CYS CA C 6 55.916 55.916 60.391 -4.475 25971
1110 1 18 . 1 1 6 6 CYS CB C 6 47.041 47.041 27.650 19.391 25971
1111 1 18 . 1 1 6 6 CYS H H 6 7.941 7.941 7.791 0.150 25971
1112 1 18 . 1 1 7 7 ARG N N 7 121.253 121.253 120.291 0.962 25971
1113 1 18 . 1 1 7 7 ARG HA H 7 4.461 4.461 4.567 -0.106 25971
1114 1 18 . 1 1 7 7 ARG CA C 7 55.039 55.039 54.326 0.713 25971
1115 1 18 . 1 1 7 7 ARG CB C 7 32.252 32.252 31.956 0.296 25971
1116 1 18 . 1 1 7 7 ARG H H 7 8.626 8.626 7.932 0.694 25971
1117 1 18 . 1 1 8 8 LYS N N 8 123.490 123.490 121.890 1.600 25971
1118 1 18 . 1 1 8 8 LYS HA H 8 4.361 4.361 4.732 -0.371 25971
1119 1 18 . 1 1 8 8 LYS CA C 8 56.880 56.880 56.388 0.492 25971
1120 1 18 . 1 1 8 8 LYS CB C 8 32.958 32.958 33.740 -0.782 25971
1121 1 18 . 1 1 8 8 LYS H H 8 8.450 8.450 8.420 0.030 25971
1122 1 18 . 1 1 9 9 LYS N N 9 124.147 124.147 120.292 3.855 25971
1123 1 18 . 1 1 9 9 LYS HA H 9 4.295 4.295 4.629 -0.334 25971
1124 1 18 . 1 1 9 9 LYS CA C 9 55.640 55.640 54.774 0.866 25971
1125 1 18 . 1 1 9 9 LYS CB C 9 33.301 33.301 34.241 -0.940 25971
1126 1 18 . 1 1 9 9 LYS H H 9 8.035 8.035 8.416 -0.381 25971
1127 1 18 . 1 1 10 10 ARG N N 10 122.770 122.770 123.283 -0.513 25971
1128 1 18 . 1 1 10 10 ARG HA H 10 3.915 3.915 4.153 -0.238 25971
1129 1 18 . 1 1 10 10 ARG CA C 10 58.177 58.177 58.411 -0.234 25971
1130 1 18 . 1 1 10 10 ARG CB C 10 30.043 30.043 29.588 0.455 25971
1131 1 18 . 1 1 10 10 ARG H H 10 8.587 8.587 9.036 -0.449 25971
1132 1 18 . 1 1 11 11 HIS N N 11 115.588 115.588 116.304 -0.716 25971
1133 1 18 . 1 1 11 11 HIS HA H 11 4.608 4.608 4.530 0.078 25971
1134 1 18 . 1 1 11 11 HIS CA C 11 55.459 55.459 56.764 -1.305 25971
1135 1 18 . 1 1 11 11 HIS CB C 11 28.133 28.133 30.244 -2.111 25971
1136 1 18 . 1 1 11 11 HIS H H 11 8.513 8.513 8.507 0.006 25971
1137 1 18 . 1 1 12 12 GLY N N 12 108.461 108.461 108.014 0.447 25971
1138 1 18 . 1 1 12 12 GLY CA C 12 45.018 45.018 45.161 -0.143 25971
1139 1 18 . 1 1 12 12 GLY H H 12 7.823 7.823 8.269 -0.446 25971
1140 1 18 . 1 1 13 13 GLY N N 13 108.511 108.511 107.317 1.194 25971
1141 1 18 . 1 1 13 13 GLY CA C 13 44.621 44.621 44.001 0.620 25971
1142 1 18 . 1 1 13 13 GLY H H 13 8.064 8.064 7.938 0.126 25971
1143 1 18 . 1 1 14 14 CYS N N 14 118.343 118.343 117.627 0.716 25971
1144 1 18 . 1 1 14 14 CYS HA H 14 5.069 5.069 5.198 -0.129 25971
1145 1 18 . 1 1 14 14 CYS CA C 14 54.878 54.878 57.557 -2.679 25971
1146 1 18 . 1 1 14 14 CYS CB C 14 43.567 43.567 29.165 14.402 25971
1147 1 18 . 1 1 14 14 CYS H H 14 8.539 8.539 8.196 0.343 25971
1148 1 18 . 1 1 15 15 SER N N 15 119.360 119.360 119.631 -0.271 25971
1149 1 18 . 1 1 15 15 SER HA H 15 4.623 4.623 4.665 -0.042 25971
1150 1 18 . 1 1 15 15 SER CA C 15 57.394 57.394 58.611 -1.217 25971
1151 1 18 . 1 1 15 15 SER CB C 15 63.882 63.882 63.220 0.662 25971
1152 1 18 . 1 1 15 15 SER H H 15 9.184 9.184 8.764 0.420 25971
1153 1 19 . 1 1 2 2 CYS N N 2 121.932 121.932 122.467 -0.535 25971
1154 1 19 . 1 1 2 2 CYS HA H 2 4.595 4.595 4.720 -0.125 25971
1155 1 19 . 1 1 2 2 CYS CA C 2 53.107 53.107 57.530 -4.423 25971
1156 1 19 . 1 1 2 2 CYS CB C 2 40.932 40.932 31.419 9.513 25971
1157 1 19 . 1 1 2 2 CYS H H 2 8.107 8.107 7.994 0.113 25971
1158 1 19 . 1 1 3 3 ALA N N 3 126.160 126.160 123.015 3.145 25971
1159 1 19 . 1 1 3 3 ALA HA H 3 3.913 3.913 4.108 -0.195 25971
1160 1 19 . 1 1 3 3 ALA CA C 3 52.174 52.174 52.801 -0.627 25971
1161 1 19 . 1 1 3 3 ALA CB C 3 19.322 19.322 18.919 0.404 25971
1162 1 19 . 1 1 3 3 ALA H H 3 8.281 8.281 8.613 -0.332 25971
1163 1 19 . 1 1 4 4 SER N N 4 114.350 114.350 117.020 -2.670 25971
1164 1 19 . 1 1 4 4 SER HA H 4 4.068 4.068 4.056 0.012 25971
1165 1 19 . 1 1 4 4 SER CA C 4 60.061 60.061 59.190 0.871 25971
1166 1 19 . 1 1 4 4 SER CB C 4 62.898 62.898 62.653 0.245 25971
1167 1 19 . 1 1 4 4 SER H H 4 8.292 8.292 8.871 -0.579 25971
1168 1 19 . 1 1 5 5 GLY N N 5 112.193 112.193 106.805 5.388 25971
1169 1 19 . 1 1 5 5 GLY CA C 5 45.201 45.201 45.569 -0.368 25971
1170 1 19 . 1 1 5 5 GLY H H 5 8.618 8.618 7.312 1.306 25971
1171 1 19 . 1 1 6 6 CYS N N 6 118.252 118.252 116.904 1.348 25971
1172 1 19 . 1 1 6 6 CYS HA H 6 4.998 4.998 4.130 0.868 25971
1173 1 19 . 1 1 6 6 CYS CA C 6 55.916 55.916 59.254 -3.338 25971
1174 1 19 . 1 1 6 6 CYS CB C 6 47.041 47.041 28.044 18.997 25971
1175 1 19 . 1 1 6 6 CYS H H 6 7.941 7.941 7.653 0.288 25971
1176 1 19 . 1 1 7 7 ARG N N 7 121.253 121.253 121.783 -0.530 25971
1177 1 19 . 1 1 7 7 ARG HA H 7 4.461 4.461 4.461 0.000 25971
1178 1 19 . 1 1 7 7 ARG CA C 7 55.039 55.039 54.652 0.387 25971
1179 1 19 . 1 1 7 7 ARG CB C 7 32.252 32.252 31.491 0.761 25971
1180 1 19 . 1 1 7 7 ARG H H 7 8.626 8.626 8.617 0.009 25971
1181 1 19 . 1 1 8 8 LYS N N 8 123.490 123.490 122.429 1.061 25971
1182 1 19 . 1 1 8 8 LYS HA H 8 4.361 4.361 4.823 -0.462 25971
1183 1 19 . 1 1 8 8 LYS CA C 8 56.880 56.880 55.878 1.002 25971
1184 1 19 . 1 1 8 8 LYS CB C 8 32.958 32.958 33.629 -0.671 25971
1185 1 19 . 1 1 8 8 LYS H H 8 8.450 8.450 8.466 -0.016 25971
1186 1 19 . 1 1 9 9 LYS N N 9 124.147 124.147 118.478 5.669 25971
1187 1 19 . 1 1 9 9 LYS HA H 9 4.295 4.295 4.631 -0.336 25971
1188 1 19 . 1 1 9 9 LYS CA C 9 55.640 55.640 54.884 0.756 25971
1189 1 19 . 1 1 9 9 LYS CB C 9 33.301 33.301 35.036 -1.735 25971
1190 1 19 . 1 1 9 9 LYS H H 9 8.035 8.035 8.306 -0.271 25971
1191 1 19 . 1 1 10 10 ARG N N 10 122.770 122.770 122.115 0.655 25971
1192 1 19 . 1 1 10 10 ARG HA H 10 3.915 3.915 4.051 -0.136 25971
1193 1 19 . 1 1 10 10 ARG CA C 10 58.177 58.177 58.449 -0.272 25971
1194 1 19 . 1 1 10 10 ARG CB C 10 30.043 30.043 29.494 0.549 25971
1195 1 19 . 1 1 10 10 ARG H H 10 8.587 8.587 9.072 -0.485 25971
1196 1 19 . 1 1 11 11 HIS N N 11 115.588 115.588 116.121 -0.533 25971
1197 1 19 . 1 1 11 11 HIS HA H 11 4.608 4.608 4.513 0.095 25971
1198 1 19 . 1 1 11 11 HIS CA C 11 55.459 55.459 56.568 -1.109 25971
1199 1 19 . 1 1 11 11 HIS CB C 11 28.133 28.133 30.002 -1.869 25971
1200 1 19 . 1 1 11 11 HIS H H 11 8.513 8.513 8.256 0.257 25971
1201 1 19 . 1 1 12 12 GLY N N 12 108.461 108.461 106.820 1.641 25971
1202 1 19 . 1 1 12 12 GLY CA C 12 45.018 45.018 45.231 -0.213 25971
1203 1 19 . 1 1 12 12 GLY H H 12 7.823 7.823 8.149 -0.326 25971
1204 1 19 . 1 1 13 13 GLY N N 13 108.511 108.511 107.187 1.324 25971
1205 1 19 . 1 1 13 13 GLY CA C 13 44.621 44.621 44.385 0.236 25971
1206 1 19 . 1 1 13 13 GLY H H 13 8.064 8.064 7.894 0.170 25971
1207 1 19 . 1 1 14 14 CYS N N 14 118.343 118.343 116.752 1.591 25971
1208 1 19 . 1 1 14 14 CYS HA H 14 5.069 5.069 5.235 -0.166 25971
1209 1 19 . 1 1 14 14 CYS CA C 14 54.878 54.878 57.397 -2.518 25971
1210 1 19 . 1 1 14 14 CYS CB C 14 43.567 43.567 30.795 12.772 25971
1211 1 19 . 1 1 14 14 CYS H H 14 8.539 8.539 8.138 0.401 25971
1212 1 19 . 1 1 15 15 SER N N 15 119.360 119.360 118.108 1.252 25971
1213 1 19 . 1 1 15 15 SER HA H 15 4.623 4.623 4.768 -0.145 25971
1214 1 19 . 1 1 15 15 SER CA C 15 57.394 57.394 57.271 0.123 25971
1215 1 19 . 1 1 15 15 SER CB C 15 63.882 63.882 62.633 1.249 25971
1216 1 19 . 1 1 15 15 SER H H 15 9.184 9.184 8.734 0.450 25971
1217 1 20 . 1 1 2 2 CYS N N 2 121.932 121.932 123.755 -1.823 25971
1218 1 20 . 1 1 2 2 CYS HA H 2 4.595 4.595 4.651 -0.056 25971
1219 1 20 . 1 1 2 2 CYS CA C 2 53.107 53.107 57.542 -4.435 25971
1220 1 20 . 1 1 2 2 CYS CB C 2 40.932 40.932 31.543 9.389 25971
1221 1 20 . 1 1 2 2 CYS H H 2 8.107 8.107 8.217 -0.110 25971
1222 1 20 . 1 1 3 3 ALA N N 3 126.160 126.160 122.522 3.638 25971
1223 1 20 . 1 1 3 3 ALA HA H 3 3.913 3.913 4.071 -0.158 25971
1224 1 20 . 1 1 3 3 ALA CA C 3 52.174 52.174 52.942 -0.768 25971
1225 1 20 . 1 1 3 3 ALA CB C 3 19.322 19.322 18.917 0.405 25971
1226 1 20 . 1 1 3 3 ALA H H 3 8.281 8.281 8.540 -0.259 25971
1227 1 20 . 1 1 4 4 SER N N 4 114.350 114.350 116.812 -2.462 25971
1228 1 20 . 1 1 4 4 SER HA H 4 4.068 4.068 4.070 -0.002 25971
1229 1 20 . 1 1 4 4 SER CA C 4 60.061 60.061 58.660 1.401 25971
1230 1 20 . 1 1 4 4 SER CB C 4 62.898 62.898 62.600 0.298 25971
1231 1 20 . 1 1 4 4 SER H H 4 8.292 8.292 8.968 -0.676 25971
1232 1 20 . 1 1 5 5 GLY N N 5 112.193 112.193 106.182 6.011 25971
1233 1 20 . 1 1 5 5 GLY CA C 5 45.201 45.201 45.471 -0.270 25971
1234 1 20 . 1 1 5 5 GLY H H 5 8.618 8.618 7.297 1.321 25971
1235 1 20 . 1 1 6 6 CYS N N 6 118.252 118.252 117.614 0.638 25971
1236 1 20 . 1 1 6 6 CYS HA H 6 4.998 4.998 4.052 0.946 25971
1237 1 20 . 1 1 6 6 CYS CA C 6 55.916 55.916 60.566 -4.649 25971
1238 1 20 . 1 1 6 6 CYS CB C 6 47.041 47.041 27.689 19.352 25971
1239 1 20 . 1 1 6 6 CYS H H 6 7.941 7.941 7.661 0.280 25971
1240 1 20 . 1 1 7 7 ARG N N 7 121.253 121.253 120.327 0.926 25971
1241 1 20 . 1 1 7 7 ARG HA H 7 4.461 4.461 4.539 -0.078 25971
1242 1 20 . 1 1 7 7 ARG CA C 7 55.039 55.039 54.755 0.284 25971
1243 1 20 . 1 1 7 7 ARG CB C 7 32.252 32.252 32.294 -0.042 25971
1244 1 20 . 1 1 7 7 ARG H H 7 8.626 8.626 8.066 0.560 25971
1245 1 20 . 1 1 8 8 LYS N N 8 123.490 123.490 120.592 2.898 25971
1246 1 20 . 1 1 8 8 LYS HA H 8 4.361 4.361 4.548 -0.187 25971
1247 1 20 . 1 1 8 8 LYS CA C 8 56.880 56.880 56.200 0.680 25971
1248 1 20 . 1 1 8 8 LYS CB C 8 32.958 32.958 34.037 -1.079 25971
1249 1 20 . 1 1 8 8 LYS H H 8 8.450 8.450 8.415 0.035 25971
1250 1 20 . 1 1 9 9 LYS N N 9 124.147 124.147 119.422 4.725 25971
1251 1 20 . 1 1 9 9 LYS HA H 9 4.295 4.295 4.619 -0.324 25971
1252 1 20 . 1 1 9 9 LYS CA C 9 55.640 55.640 55.042 0.598 25971
1253 1 20 . 1 1 9 9 LYS CB C 9 33.301 33.301 34.763 -1.462 25971
1254 1 20 . 1 1 9 9 LYS H H 9 8.035 8.035 8.404 -0.369 25971
1255 1 20 . 1 1 10 10 ARG N N 10 122.770 122.770 123.071 -0.301 25971
1256 1 20 . 1 1 10 10 ARG HA H 10 3.915 3.915 4.219 -0.304 25971
1257 1 20 . 1 1 10 10 ARG CA C 10 58.177 58.177 58.369 -0.192 25971
1258 1 20 . 1 1 10 10 ARG CB C 10 30.043 30.043 29.812 0.230 25971
1259 1 20 . 1 1 10 10 ARG H H 10 8.587 8.587 8.970 -0.383 25971
1260 1 20 . 1 1 11 11 HIS N N 11 115.588 115.588 116.812 -1.224 25971
1261 1 20 . 1 1 11 11 HIS HA H 11 4.608 4.608 4.508 0.100 25971
1262 1 20 . 1 1 11 11 HIS CA C 11 55.459 55.459 56.087 -0.628 25971
1263 1 20 . 1 1 11 11 HIS CB C 11 28.133 28.133 30.173 -2.040 25971
1264 1 20 . 1 1 11 11 HIS H H 11 8.513 8.513 8.535 -0.022 25971
1265 1 20 . 1 1 12 12 GLY N N 12 108.461 108.461 107.586 0.875 25971
1266 1 20 . 1 1 12 12 GLY CA C 12 45.018 45.018 45.123 -0.105 25971
1267 1 20 . 1 1 12 12 GLY H H 12 7.823 7.823 7.962 -0.139 25971
1268 1 20 . 1 1 13 13 GLY N N 13 108.511 108.511 107.966 0.545 25971
1269 1 20 . 1 1 13 13 GLY CA C 13 44.621 44.621 44.392 0.229 25971
1270 1 20 . 1 1 13 13 GLY H H 13 8.064 8.064 8.048 0.016 25971
1271 1 20 . 1 1 14 14 CYS N N 14 118.343 118.343 117.151 1.192 25971
1272 1 20 . 1 1 14 14 CYS HA H 14 5.069 5.069 5.150 -0.081 25971
1273 1 20 . 1 1 14 14 CYS CA C 14 54.878 54.878 57.570 -2.692 25971
1274 1 20 . 1 1 14 14 CYS CB C 14 43.567 43.567 29.413 14.154 25971
1275 1 20 . 1 1 14 14 CYS H H 14 8.539 8.539 8.124 0.415 25971
1276 1 20 . 1 1 15 15 SER N N 15 119.360 119.360 119.128 0.232 25971
1277 1 20 . 1 1 15 15 SER HA H 15 4.623 4.623 4.674 -0.051 25971
1278 1 20 . 1 1 15 15 SER CA C 15 57.394 57.394 58.611 -1.217 25971
1279 1 20 . 1 1 15 15 SER CB C 15 63.882 63.882 63.654 0.228 25971
1280 1 20 . 1 1 15 15 SER H H 15 9.184 9.184 8.558 0.626 25971
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 14 2.367 -1.176 2.131 25971
2 1 1 "Average Difference" HA 17 0.389 -0.067 0.395 25971
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25971
4 1 1 "Average Difference" CA 14 1.994 0.790 1.900 25971
5 1 1 "Average Difference" CB 11 7.666 -3.579 7.110 25971
6 1 1 "Average Difference" HN 14 0.465 -0.112 0.468 25971
7 1 2 "Average Difference" N 14 2.240 -0.901 2.128 25971
8 1 2 "Average Difference" HA 17 0.344 -0.094 0.341 25971
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25971
10 1 2 "Average Difference" CA 14 1.929 0.930 1.754 25971
11 1 2 "Average Difference" CB 11 7.747 -3.656 7.164 25971
12 1 2 "Average Difference" HN 14 0.508 -0.114 0.514 25971
13 1 3 "Average Difference" N 14 2.288 -0.892 2.186 25971
14 1 3 "Average Difference" HA 17 0.364 -0.139 0.347 25971
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25971
16 1 3 "Average Difference" CA 14 2.071 0.995 1.885 25971
17 1 3 "Average Difference" CB 11 7.913 -3.785 7.288 25971
18 1 3 "Average Difference" HN 14 0.457 -0.081 0.467 25971
19 1 4 "Average Difference" N 14 2.425 -1.208 2.182 25971
20 1 4 "Average Difference" HA 17 0.385 -0.070 0.390 25971
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25971
22 1 4 "Average Difference" CA 14 1.949 0.815 1.837 25971
23 1 4 "Average Difference" CB 11 7.795 -3.726 7.181 25971
24 1 4 "Average Difference" HN 14 0.438 -0.065 0.449 25971
25 1 5 "Average Difference" N 14 2.271 -1.141 2.038 25971
26 1 5 "Average Difference" HA 17 0.382 -0.080 0.386 25971
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25971
28 1 5 "Average Difference" CA 14 2.014 0.816 1.910 25971
29 1 5 "Average Difference" CB 11 7.913 -3.757 7.305 25971
30 1 5 "Average Difference" HN 14 0.451 -0.082 0.460 25971
31 1 6 "Average Difference" N 14 2.317 -1.089 2.122 25971
32 1 6 "Average Difference" HA 17 0.390 -0.097 0.389 25971
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25971
34 1 6 "Average Difference" CA 14 2.066 0.954 1.902 25971
35 1 6 "Average Difference" CB 11 7.944 -3.770 7.334 25971
36 1 6 "Average Difference" HN 14 0.498 -0.067 0.512 25971
37 1 7 "Average Difference" N 14 2.485 -1.276 2.213 25971
38 1 7 "Average Difference" HA 17 0.386 -0.057 0.393 25971
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25971
40 1 7 "Average Difference" CA 14 1.980 0.850 1.855 25971
41 1 7 "Average Difference" CB 11 7.637 -3.541 7.097 25971
42 1 7 "Average Difference" HN 14 0.497 -0.079 0.509 25971
43 1 8 "Average Difference" N 14 2.436 -1.239 2.177 25971
44 1 8 "Average Difference" HA 17 0.377 -0.088 0.378 25971
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25971
46 1 8 "Average Difference" CA 14 2.028 0.932 1.869 25971
47 1 8 "Average Difference" CB 11 7.783 -3.643 7.214 25971
48 1 8 "Average Difference" HN 14 0.469 -0.141 0.464 25971
49 1 9 "Average Difference" N 14 2.329 -1.139 2.108 25971
50 1 9 "Average Difference" HA 17 0.393 -0.092 0.394 25971
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25971
52 1 9 "Average Difference" CA 14 1.961 0.901 1.808 25971
53 1 9 "Average Difference" CB 11 7.799 -3.674 7.216 25971
54 1 9 "Average Difference" HN 14 0.499 -0.122 0.502 25971
55 1 10 "Average Difference" N 14 2.442 -0.860 2.372 25971
56 1 10 "Average Difference" HA 17 0.383 -0.080 0.386 25971
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25971
58 1 10 "Average Difference" CA 14 1.960 0.883 1.816 25971
59 1 10 "Average Difference" CB 11 7.797 -3.698 7.199 25971
60 1 10 "Average Difference" HN 14 0.494 -0.109 0.500 25971
61 1 11 "Average Difference" N 14 2.251 -1.031 2.077 25971
62 1 11 "Average Difference" HA 17 0.379 -0.085 0.380 25971
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25971
64 1 11 "Average Difference" CA 14 1.889 0.934 1.704 25971
65 1 11 "Average Difference" CB 11 7.799 -3.710 7.195 25971
66 1 11 "Average Difference" HN 14 0.438 -0.077 0.447 25971
67 1 12 "Average Difference" N 14 2.181 -0.698 2.144 25971
68 1 12 "Average Difference" HA 17 0.378 -0.072 0.382 25971
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25971
70 1 12 "Average Difference" CA 14 1.802 0.892 1.625 25971
71 1 12 "Average Difference" CB 11 7.707 -3.675 7.105 25971
72 1 12 "Average Difference" HN 14 0.465 -0.086 0.474 25971
73 1 13 "Average Difference" N 14 2.469 -1.383 2.122 25971
74 1 13 "Average Difference" HA 17 0.378 -0.062 0.384 25971
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25971
76 1 13 "Average Difference" CA 14 1.930 0.771 1.836 25971
77 1 13 "Average Difference" CB 11 7.767 -3.604 7.216 25971
78 1 13 "Average Difference" HN 14 0.461 -0.108 0.466 25971
79 1 14 "Average Difference" N 14 2.660 -1.537 2.254 25971
80 1 14 "Average Difference" HA 17 0.387 -0.064 0.393 25971
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25971
82 1 14 "Average Difference" CA 14 2.015 0.777 1.929 25971
83 1 14 "Average Difference" CB 11 7.602 -3.534 7.059 25971
84 1 14 "Average Difference" HN 14 0.450 -0.053 0.464 25971
85 1 15 "Average Difference" N 14 2.571 -1.598 2.090 25971
86 1 15 "Average Difference" HA 17 0.395 -0.060 0.402 25971
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25971
88 1 15 "Average Difference" CA 14 1.977 0.664 1.933 25971
89 1 15 "Average Difference" CB 11 7.590 -3.480 7.075 25971
90 1 15 "Average Difference" HN 14 0.449 -0.078 0.459 25971
91 1 16 "Average Difference" N 14 2.224 -0.925 2.098 25971
92 1 16 "Average Difference" HA 17 0.355 -0.157 0.329 25971
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25971
94 1 16 "Average Difference" CA 14 2.035 0.974 1.854 25971
95 1 16 "Average Difference" CB 11 7.952 -3.777 7.339 25971
96 1 16 "Average Difference" HN 14 0.432 -0.132 0.427 25971
97 1 17 "Average Difference" N 14 2.291 -0.582 2.300 25971
98 1 17 "Average Difference" HA 17 0.358 -0.138 0.340 25971
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25971
100 1 17 "Average Difference" CA 14 2.131 1.018 1.943 25971
101 1 17 "Average Difference" CB 11 7.943 -3.858 7.283 25971
102 1 17 "Average Difference" HN 14 0.463 -0.091 0.471 25971
103 1 18 "Average Difference" N 14 2.341 -0.859 2.260 25971
104 1 18 "Average Difference" HA 17 0.393 -0.071 0.398 25971
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25971
106 1 18 "Average Difference" CA 14 1.942 0.882 1.796 25971
107 1 18 "Average Difference" CB 11 7.889 -3.778 7.264 25971
108 1 18 "Average Difference" HN 14 0.493 -0.064 0.507 25971
109 1 19 "Average Difference" N 14 2.549 -1.343 2.248 25971
110 1 19 "Average Difference" HA 17 0.371 -0.075 0.374 25971
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25971
112 1 19 "Average Difference" CA 14 1.721 0.678 1.642 25971
113 1 19 "Average Difference" CB 11 7.533 -3.656 6.907 25971
114 1 19 "Average Difference" HN 14 0.472 -0.070 0.485 25971
115 1 20 "Average Difference" N 14 2.603 -1.134 2.432 25971
116 1 20 "Average Difference" HA 17 0.382 -0.094 0.382 25971
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25971
118 1 20 "Average Difference" CA 14 1.965 0.840 1.843 25971
119 1 20 "Average Difference" CB 11 7.809 -3.585 7.276 25971
120 1 20 "Average Difference" HN 14 0.503 -0.092 0.513 25971
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 25971
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 CYS N N 2 121.932 121.932 123.155 -1.223 25971
2 1 . 1 1 2 2 CYS HA H 2 4.595 4.595 4.649 -0.054 25971
3 1 . 1 1 2 2 CYS CA C 2 53.107 53.107 57.711 -4.604 25971
4 1 . 1 1 2 2 CYS CB C 2 40.932 40.932 31.493 9.439 25971
5 1 . 1 1 2 2 CYS H H 2 8.107 8.107 7.952 0.155 25971
6 1 . 1 1 3 3 ALA N N 3 126.160 126.160 122.821 3.339 25971
7 1 . 1 1 3 3 ALA HA H 3 3.913 3.913 4.058 -0.145 25971
8 1 . 1 1 3 3 ALA CA C 3 52.174 52.174 52.858 -0.684 25971
9 1 . 1 1 3 3 ALA CB C 3 19.322 19.322 18.978 0.345 25971
10 1 . 1 1 3 3 ALA H H 3 8.281 8.281 8.599 -0.318 25971
11 1 . 1 1 4 4 SER N N 4 114.350 114.350 116.945 -2.595 25971
12 1 . 1 1 4 4 SER HA H 4 4.068 4.068 4.040 0.028 25971
13 1 . 1 1 4 4 SER CA C 4 60.061 60.061 58.835 1.226 25971
14 1 . 1 1 4 4 SER CB C 4 62.898 62.898 62.670 0.228 25971
15 1 . 1 1 4 4 SER H H 4 8.292 8.292 8.889 -0.597 25971
16 1 . 1 1 5 5 GLY N N 5 112.193 112.193 106.353 5.840 25971
17 1 . 1 1 5 5 GLY CA C 5 45.201 45.201 45.534 -0.333 25971
18 1 . 1 1 5 5 GLY H H 5 8.618 8.618 7.374 1.244 25971
19 1 . 1 1 6 6 CYS N N 6 118.252 118.252 117.295 0.957 25971
20 1 . 1 1 6 6 CYS HA H 6 4.998 4.998 4.071 0.927 25971
21 1 . 1 1 6 6 CYS CA C 6 55.916 55.916 60.339 -4.423 25971
22 1 . 1 1 6 6 CYS CB C 6 47.041 47.041 27.757 19.284 25971
23 1 . 1 1 6 6 CYS H H 6 7.941 7.941 7.708 0.233 25971
24 1 . 1 1 7 7 ARG N N 7 121.253 121.253 120.974 0.279 25971
25 1 . 1 1 7 7 ARG HA H 7 4.461 4.461 4.512 -0.051 25971
26 1 . 1 1 7 7 ARG CA C 7 55.039 55.039 55.033 0.006 25971
27 1 . 1 1 7 7 ARG CB C 7 32.252 32.252 31.985 0.267 25971
28 1 . 1 1 7 7 ARG H H 7 8.626 8.626 8.128 0.498 25971
29 1 . 1 1 8 8 LYS N N 8 123.490 123.490 122.637 0.853 25971
30 1 . 1 1 8 8 LYS HA H 8 4.361 4.361 4.714 -0.353 25971
31 1 . 1 1 8 8 LYS CA C 8 56.880 56.880 56.412 0.468 25971
32 1 . 1 1 8 8 LYS CB C 8 32.958 32.958 33.671 -0.713 25971
33 1 . 1 1 8 8 LYS H H 8 8.450 8.450 8.466 -0.016 25971
34 1 . 1 1 9 9 LYS N N 9 124.147 124.147 120.346 3.801 25971
35 1 . 1 1 9 9 LYS HA H 9 4.295 4.295 4.658 -0.363 25971
36 1 . 1 1 9 9 LYS CA C 9 55.640 55.640 54.749 0.891 25971
37 1 . 1 1 9 9 LYS CB C 9 33.301 33.301 34.602 -1.301 25971
38 1 . 1 1 9 9 LYS H H 9 8.035 8.035 8.247 -0.212 25971
39 1 . 1 1 10 10 ARG N N 10 122.770 122.770 122.472 0.298 25971
40 1 . 1 1 10 10 ARG HA H 10 3.915 3.915 4.108 -0.193 25971
41 1 . 1 1 10 10 ARG CA C 10 58.177 58.177 58.407 -0.230 25971
42 1 . 1 1 10 10 ARG CB C 10 30.043 30.043 29.790 0.253 25971
43 1 . 1 1 10 10 ARG H H 10 8.587 8.587 8.958 -0.371 25971
44 1 . 1 1 11 11 HIS N N 11 115.588 115.588 114.956 0.632 25971
45 1 . 1 1 11 11 HIS HA H 11 4.608 4.608 4.469 0.139 25971
46 1 . 1 1 11 11 HIS CA C 11 55.459 55.459 56.383 -0.924 25971
47 1 . 1 1 11 11 HIS CB C 11 28.133 28.133 30.036 -1.903 25971
48 1 . 1 1 11 11 HIS H H 11 8.513 8.513 8.354 0.159 25971
49 1 . 1 1 12 12 GLY N N 12 108.461 108.461 107.239 1.222 25971
50 1 . 1 1 12 12 GLY CA C 12 45.018 45.018 45.137 -0.119 25971
51 1 . 1 1 12 12 GLY H H 12 7.823 7.823 8.147 -0.324 25971
52 1 . 1 1 13 13 GLY N N 13 108.511 108.511 107.893 0.618 25971
53 1 . 1 1 13 13 GLY CA C 13 44.621 44.621 44.405 0.216 25971
54 1 . 1 1 13 13 GLY H H 13 8.064 8.064 8.021 0.043 25971
55 1 . 1 1 14 14 CYS N N 14 118.343 118.343 117.263 1.080 25971
56 1 . 1 1 14 14 CYS HA H 14 5.069 5.069 5.152 -0.083 25971
57 1 . 1 1 14 14 CYS CA C 14 54.878 54.878 57.536 -2.658 25971
58 1 . 1 1 14 14 CYS CB C 14 43.567 43.567 29.522 14.045 25971
59 1 . 1 1 14 14 CYS H H 14 8.539 8.539 8.153 0.386 25971
60 1 . 1 1 15 15 SER N N 15 119.360 119.360 119.054 0.306 25971
61 1 . 1 1 15 15 SER HA H 15 4.623 4.623 4.684 -0.061 25971
62 1 . 1 1 15 15 SER CA C 15 57.394 57.394 58.331 -0.937 25971
63 1 . 1 1 15 15 SER CB C 15 63.882 63.882 63.411 0.471 25971
64 1 . 1 1 15 15 SER H H 15 9.184 9.184 8.787 0.397 25971
stop_
save_