data_19124
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19124
_Entry.PDB_ID 2M6A
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 19124
_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 ASP HA H 2 4.756 4.756 4.686 0.070 19124
2 1 1 . 1 1 2 2 ASP CB C 2 40.936 40.936 42.086 -1.150 19124
3 1 1 . 1 1 3 3 ASP N N 3 123.145 123.145 122.313 0.832 19124
4 1 1 . 1 1 3 3 ASP HA H 3 4.726 4.726 4.587 0.139 19124
5 1 1 . 1 1 3 3 ASP CA C 3 53.812 53.812 53.724 0.088 19124
6 1 1 . 1 1 3 3 ASP CB C 3 40.848 40.848 39.618 1.230 19124
7 1 1 . 1 1 3 3 ASP H H 3 8.502 8.502 8.638 -0.136 19124
8 1 1 . 1 1 4 4 ARG N N 4 121.446 121.446 122.603 -1.157 19124
9 1 1 . 1 1 4 4 ARG HA H 4 4.043 4.043 4.073 -0.030 19124
10 1 1 . 1 1 4 4 ARG CA C 4 58.945 58.945 59.141 -0.195 19124
11 1 1 . 1 1 4 4 ARG CB C 4 29.658 29.658 30.232 -0.574 19124
12 1 1 . 1 1 4 4 ARG H H 4 8.524 8.524 8.141 0.383 19124
13 1 1 . 1 1 5 5 CYS N N 5 118.368 118.368 117.086 1.282 19124
14 1 1 . 1 1 5 5 CYS HA H 5 4.675 4.675 4.225 0.450 19124
15 1 1 . 1 1 5 5 CYS CA C 5 56.737 56.737 61.981 -5.244 19124
16 1 1 . 1 1 5 5 CYS CB C 5 36.976 36.976 25.957 11.019 19124
17 1 1 . 1 1 5 5 CYS H H 5 8.465 8.465 8.738 -0.273 19124
18 1 1 . 1 1 6 6 GLU N N 6 121.562 121.562 118.052 3.510 19124
19 1 1 . 1 1 6 6 GLU HA H 6 4.009 4.009 3.949 0.060 19124
20 1 1 . 1 1 6 6 GLU CA C 6 59.515 59.515 59.157 0.358 19124
21 1 1 . 1 1 6 6 GLU CB C 6 28.445 28.445 29.274 -0.829 19124
22 1 1 . 1 1 6 6 GLU H H 6 8.501 8.501 8.403 0.098 19124
23 1 1 . 1 1 7 7 ARG N N 7 117.167 117.167 117.838 -0.671 19124
24 1 1 . 1 1 7 7 ARG HA H 7 4.131 4.131 4.034 0.097 19124
25 1 1 . 1 1 7 7 ARG CA C 7 56.178 56.178 58.674 -2.496 19124
26 1 1 . 1 1 7 7 ARG CB C 7 29.463 29.463 30.283 -0.820 19124
27 1 1 . 1 1 7 7 ARG H H 7 8.073 8.073 7.701 0.372 19124
28 1 1 . 1 1 8 8 MET N N 8 118.916 118.916 118.092 0.824 19124
29 1 1 . 1 1 8 8 MET HA H 8 4.325 4.325 4.281 0.044 19124
30 1 1 . 1 1 8 8 MET CA C 8 57.991 57.991 58.918 -0.927 19124
31 1 1 . 1 1 8 8 MET CB C 8 32.167 32.167 32.817 -0.650 19124
32 1 1 . 1 1 8 8 MET H H 8 8.120 8.120 7.699 0.421 19124
33 1 1 . 1 1 9 9 CYS N N 9 114.907 114.907 116.611 -1.704 19124
34 1 1 . 1 1 9 9 CYS HA H 9 5.170 5.170 4.553 0.617 19124
35 1 1 . 1 1 9 9 CYS CA C 9 53.529 53.529 58.647 -5.118 19124
36 1 1 . 1 1 9 9 CYS CB C 9 37.987 37.987 25.450 12.537 19124
37 1 1 . 1 1 9 9 CYS H H 9 8.136 8.136 8.145 -0.009 19124
38 1 1 . 1 1 10 10 GLN N N 10 120.125 120.125 121.486 -1.361 19124
39 1 1 . 1 1 10 10 GLN HA H 10 4.117 4.117 3.959 0.158 19124
40 1 1 . 1 1 10 10 GLN CA C 10 57.534 57.534 58.627 -1.093 19124
41 1 1 . 1 1 10 10 GLN CB C 10 27.501 27.501 28.564 -1.063 19124
42 1 1 . 1 1 10 10 GLN H H 10 7.736 7.736 7.654 0.082 19124
43 1 1 . 1 1 11 11 ARG N N 11 114.823 114.823 116.499 -1.676 19124
44 1 1 . 1 1 11 11 ARG HA H 11 4.125 4.125 4.003 0.122 19124
45 1 1 . 1 1 11 11 ARG CA C 11 58.646 58.646 58.041 0.605 19124
46 1 1 . 1 1 11 11 ARG CB C 11 28.634 28.634 29.386 -0.752 19124
47 1 1 . 1 1 11 11 ARG H H 11 7.679 7.679 7.833 -0.154 19124
48 1 1 . 1 1 12 12 TYR N N 12 119.718 119.718 117.398 2.320 19124
49 1 1 . 1 1 12 12 TYR HA H 12 4.574 4.574 4.432 0.142 19124
50 1 1 . 1 1 12 12 TYR CA C 12 57.663 57.663 60.116 -2.453 19124
51 1 1 . 1 1 12 12 TYR CB C 12 37.055 37.055 38.957 -1.902 19124
52 1 1 . 1 1 12 12 TYR H H 12 7.405 7.405 7.572 -0.167 19124
53 1 1 . 1 1 13 13 HIS CB C 13 28.878 28.878 28.865 0.013 19124
54 1 1 . 1 1 14 14 ASP N N 14 121.456 121.456 121.265 0.191 19124
55 1 1 . 1 1 14 14 ASP HA H 14 4.770 4.770 4.674 0.096 19124
56 1 1 . 1 1 14 14 ASP CB C 14 42.593 42.593 41.096 1.497 19124
57 1 1 . 1 1 14 14 ASP H H 14 8.501 8.501 8.326 0.175 19124
58 1 1 . 1 1 15 15 ARG N N 15 126.394 126.394 125.343 1.051 19124
59 1 1 . 1 1 15 15 ARG HA H 15 4.014 4.014 3.986 0.028 19124
60 1 1 . 1 1 15 15 ARG CA C 15 59.230 59.230 59.034 0.196 19124
61 1 1 . 1 1 15 15 ARG CB C 15 29.636 29.636 30.208 -0.572 19124
62 1 1 . 1 1 15 15 ARG H H 15 8.975 8.975 8.803 0.172 19124
63 1 1 . 1 1 16 16 ARG N N 16 120.362 120.362 118.716 1.646 19124
64 1 1 . 1 1 16 16 ARG HA H 16 4.102 4.102 4.069 0.033 19124
65 1 1 . 1 1 16 16 ARG CA C 16 59.020 59.020 59.331 -0.312 19124
66 1 1 . 1 1 16 16 ARG CB C 16 28.892 28.892 29.599 -0.706 19124
67 1 1 . 1 1 16 16 ARG H H 16 8.436 8.436 8.410 0.026 19124
68 1 1 . 1 1 17 17 GLU N N 17 120.565 120.565 119.974 0.591 19124
69 1 1 . 1 1 17 17 GLU HA H 17 3.912 3.912 3.993 -0.081 19124
70 1 1 . 1 1 17 17 GLU CA C 17 58.624 58.624 58.771 -0.147 19124
71 1 1 . 1 1 17 17 GLU CB C 17 29.234 29.234 28.925 0.309 19124
72 1 1 . 1 1 17 17 GLU H H 17 8.245 8.245 8.482 -0.237 19124
73 1 1 . 1 1 18 18 LYS N N 18 121.316 121.316 119.307 2.009 19124
74 1 1 . 1 1 18 18 LYS HA H 18 3.896 3.896 3.844 0.052 19124
75 1 1 . 1 1 18 18 LYS CA C 18 60.212 60.212 58.973 1.239 19124
76 1 1 . 1 1 18 18 LYS CB C 18 31.447 31.447 32.168 -0.721 19124
77 1 1 . 1 1 18 18 LYS H H 18 8.768 8.768 7.805 0.963 19124
78 1 1 . 1 1 19 19 LYS N N 19 119.130 119.130 119.720 -0.590 19124
79 1 1 . 1 1 19 19 LYS HA H 19 4.033 4.033 3.918 0.115 19124
80 1 1 . 1 1 19 19 LYS CB C 19 31.579 31.579 31.634 -0.055 19124
81 1 1 . 1 1 19 19 LYS H H 19 8.070 8.070 7.829 0.241 19124
82 1 1 . 1 1 20 20 GLN N N 20 118.825 118.825 118.449 0.376 19124
83 1 1 . 1 1 20 20 GLN HA H 20 4.078 4.078 4.049 0.029 19124
84 1 1 . 1 1 20 20 GLN CA C 20 58.100 58.100 58.374 -0.274 19124
85 1 1 . 1 1 20 20 GLN CB C 20 27.577 27.577 27.765 -0.188 19124
86 1 1 . 1 1 20 20 GLN H H 20 7.893 7.893 8.124 -0.231 19124
87 1 1 . 1 1 21 21 CYS N N 21 120.856 120.856 120.212 0.644 19124
88 1 1 . 1 1 21 21 CYS HA H 21 4.232 4.232 4.090 0.142 19124
89 1 1 . 1 1 21 21 CYS CA C 21 59.017 59.017 62.160 -3.143 19124
90 1 1 . 1 1 21 21 CYS CB C 21 36.741 36.741 26.147 10.594 19124
91 1 1 . 1 1 21 21 CYS H H 21 7.992 7.992 7.319 0.673 19124
92 1 1 . 1 1 22 22 MET N N 22 121.200 121.200 119.166 2.034 19124
93 1 1 . 1 1 22 22 MET HA H 22 4.290 4.290 4.111 0.179 19124
94 1 1 . 1 1 22 22 MET CA C 22 56.986 56.986 58.135 -1.149 19124
95 1 1 . 1 1 22 22 MET CB C 22 30.725 30.725 31.711 -0.986 19124
96 1 1 . 1 1 22 22 MET H H 22 8.673 8.673 8.386 0.287 19124
97 1 1 . 1 1 23 23 LYS N N 23 120.853 120.853 116.139 4.714 19124
98 1 1 . 1 1 23 23 LYS HA H 23 4.190 4.190 4.328 -0.138 19124
99 1 1 . 1 1 23 23 LYS CA C 23 58.745 58.745 57.944 0.801 19124
100 1 1 . 1 1 23 23 LYS CB C 23 31.720 31.720 32.589 -0.869 19124
101 1 1 . 1 1 23 23 LYS H H 23 8.128 8.128 7.840 0.288 19124
102 1 1 . 1 1 24 24 GLY N N 24 104.975 104.975 107.797 -2.822 19124
103 1 1 . 1 1 24 24 GLY CA C 24 45.441 45.441 46.738 -1.297 19124
104 1 1 . 1 1 24 24 GLY H H 24 7.895 7.895 7.969 -0.074 19124
105 1 1 . 1 1 25 25 CYS N N 25 119.579 119.579 119.292 0.287 19124
106 1 1 . 1 1 25 25 CYS HA H 25 4.488 4.488 4.508 -0.020 19124
107 1 1 . 1 1 25 25 CYS CA C 25 56.480 56.480 58.055 -1.575 19124
108 1 1 . 1 1 25 25 CYS CB C 25 40.435 40.435 25.269 15.166 19124
109 1 1 . 1 1 25 25 CYS H H 25 7.862 7.862 7.981 -0.119 19124
110 1 1 . 1 1 26 26 ARG N N 26 121.480 121.480 120.262 1.218 19124
111 1 1 . 1 1 26 26 ARG HA H 26 4.290 4.290 4.312 -0.022 19124
112 1 1 . 1 1 26 26 ARG CA C 26 56.637 56.637 57.282 -0.645 19124
113 1 1 . 1 1 26 26 ARG CB C 26 30.129 30.129 29.849 0.280 19124
114 1 1 . 1 1 26 26 ARG H H 26 8.298 8.298 7.668 0.630 19124
115 1 1 . 1 1 27 27 TYR N N 27 119.050 119.050 117.841 1.209 19124
116 1 1 . 1 1 27 27 TYR HA H 27 4.749 4.749 4.422 0.327 19124
117 1 1 . 1 1 27 27 TYR CB C 27 38.326 38.326 39.185 -0.859 19124
118 1 1 . 1 1 27 27 TYR H H 27 8.016 8.016 7.870 0.146 19124
119 1 2 . 1 1 2 2 ASP HA H 2 4.756 4.756 4.779 -0.023 19124
120 1 2 . 1 1 2 2 ASP CB C 2 40.936 40.936 42.105 -1.169 19124
121 1 2 . 1 1 3 3 ASP N N 3 123.145 123.145 126.075 -2.930 19124
122 1 2 . 1 1 3 3 ASP HA H 3 4.726 4.726 4.662 0.064 19124
123 1 2 . 1 1 3 3 ASP CA C 3 53.812 53.812 53.654 0.158 19124
124 1 2 . 1 1 3 3 ASP CB C 3 40.848 40.848 39.597 1.251 19124
125 1 2 . 1 1 3 3 ASP H H 3 8.502 8.502 8.818 -0.316 19124
126 1 2 . 1 1 4 4 ARG N N 4 121.446 121.446 121.154 0.292 19124
127 1 2 . 1 1 4 4 ARG HA H 4 4.043 4.043 4.151 -0.108 19124
128 1 2 . 1 1 4 4 ARG CA C 4 58.945 58.945 59.555 -0.610 19124
129 1 2 . 1 1 4 4 ARG CB C 4 29.658 29.658 30.585 -0.927 19124
130 1 2 . 1 1 4 4 ARG H H 4 8.524 8.524 8.183 0.341 19124
131 1 2 . 1 1 5 5 CYS N N 5 118.368 118.368 117.481 0.887 19124
132 1 2 . 1 1 5 5 CYS HA H 5 4.675 4.675 4.261 0.414 19124
133 1 2 . 1 1 5 5 CYS CA C 5 56.737 56.737 62.451 -5.714 19124
134 1 2 . 1 1 5 5 CYS CB C 5 36.976 36.976 26.008 10.968 19124
135 1 2 . 1 1 5 5 CYS H H 5 8.465 8.465 8.742 -0.277 19124
136 1 2 . 1 1 6 6 GLU N N 6 121.562 121.562 118.712 2.850 19124
137 1 2 . 1 1 6 6 GLU HA H 6 4.009 4.009 4.007 0.002 19124
138 1 2 . 1 1 6 6 GLU CA C 6 59.515 59.515 59.528 -0.013 19124
139 1 2 . 1 1 6 6 GLU CB C 6 28.445 28.445 29.068 -0.623 19124
140 1 2 . 1 1 6 6 GLU H H 6 8.501 8.501 8.441 0.060 19124
141 1 2 . 1 1 7 7 ARG N N 7 117.167 117.167 118.076 -0.909 19124
142 1 2 . 1 1 7 7 ARG HA H 7 4.131 4.131 4.042 0.089 19124
143 1 2 . 1 1 7 7 ARG CA C 7 56.178 56.178 58.897 -2.719 19124
144 1 2 . 1 1 7 7 ARG CB C 7 29.463 29.463 30.340 -0.877 19124
145 1 2 . 1 1 7 7 ARG H H 7 8.073 8.073 7.744 0.329 19124
146 1 2 . 1 1 8 8 MET N N 8 118.916 118.916 118.312 0.604 19124
147 1 2 . 1 1 8 8 MET HA H 8 4.325 4.325 4.310 0.015 19124
148 1 2 . 1 1 8 8 MET CA C 8 57.991 57.991 58.783 -0.792 19124
149 1 2 . 1 1 8 8 MET CB C 8 32.167 32.167 32.827 -0.660 19124
150 1 2 . 1 1 8 8 MET H H 8 8.120 8.120 7.754 0.366 19124
151 1 2 . 1 1 9 9 CYS N N 9 114.907 114.907 117.638 -2.731 19124
152 1 2 . 1 1 9 9 CYS HA H 9 5.170 5.170 4.556 0.614 19124
153 1 2 . 1 1 9 9 CYS CA C 9 53.529 53.529 58.785 -5.256 19124
154 1 2 . 1 1 9 9 CYS CB C 9 37.987 37.987 25.345 12.643 19124
155 1 2 . 1 1 9 9 CYS H H 9 8.136 8.136 8.256 -0.120 19124
156 1 2 . 1 1 10 10 GLN N N 10 120.125 120.125 121.673 -1.548 19124
157 1 2 . 1 1 10 10 GLN HA H 10 4.117 4.117 4.057 0.060 19124
158 1 2 . 1 1 10 10 GLN CA C 10 57.534 57.534 58.552 -1.018 19124
159 1 2 . 1 1 10 10 GLN CB C 10 27.501 27.501 28.509 -1.008 19124
160 1 2 . 1 1 10 10 GLN H H 10 7.736 7.736 7.711 0.025 19124
161 1 2 . 1 1 11 11 ARG N N 11 114.823 114.823 117.382 -2.559 19124
162 1 2 . 1 1 11 11 ARG HA H 11 4.125 4.125 3.996 0.129 19124
163 1 2 . 1 1 11 11 ARG CA C 11 58.646 58.646 57.917 0.729 19124
164 1 2 . 1 1 11 11 ARG CB C 11 28.634 28.634 29.740 -1.106 19124
165 1 2 . 1 1 11 11 ARG H H 11 7.679 7.679 7.712 -0.033 19124
166 1 2 . 1 1 12 12 TYR N N 12 119.718 119.718 120.072 -0.354 19124
167 1 2 . 1 1 12 12 TYR HA H 12 4.574 4.574 4.917 -0.343 19124
168 1 2 . 1 1 12 12 TYR CA C 12 57.663 57.663 55.916 1.747 19124
169 1 2 . 1 1 12 12 TYR CB C 12 37.055 37.055 36.278 0.777 19124
170 1 2 . 1 1 12 12 TYR H H 12 7.405 7.405 7.563 -0.158 19124
171 1 2 . 1 1 13 13 HIS CB C 13 28.878 28.878 28.676 0.202 19124
172 1 2 . 1 1 14 14 ASP N N 14 121.456 121.456 120.678 0.778 19124
173 1 2 . 1 1 14 14 ASP HA H 14 4.770 4.770 4.556 0.214 19124
174 1 2 . 1 1 14 14 ASP CB C 14 42.593 42.593 42.301 0.292 19124
175 1 2 . 1 1 14 14 ASP H H 14 8.501 8.501 8.164 0.337 19124
176 1 2 . 1 1 15 15 ARG N N 15 126.394 126.394 123.265 3.129 19124
177 1 2 . 1 1 15 15 ARG HA H 15 4.014 4.014 4.026 -0.012 19124
178 1 2 . 1 1 15 15 ARG CA C 15 59.230 59.230 58.446 0.784 19124
179 1 2 . 1 1 15 15 ARG CB C 15 29.636 29.636 30.151 -0.515 19124
180 1 2 . 1 1 15 15 ARG H H 15 8.975 8.975 8.745 0.230 19124
181 1 2 . 1 1 16 16 ARG N N 16 120.362 120.362 119.556 0.806 19124
182 1 2 . 1 1 16 16 ARG HA H 16 4.102 4.102 4.082 0.020 19124
183 1 2 . 1 1 16 16 ARG CA C 16 59.020 59.020 59.388 -0.368 19124
184 1 2 . 1 1 16 16 ARG CB C 16 28.892 28.892 29.788 -0.895 19124
185 1 2 . 1 1 16 16 ARG H H 16 8.436 8.436 7.688 0.748 19124
186 1 2 . 1 1 17 17 GLU N N 17 120.565 120.565 119.405 1.160 19124
187 1 2 . 1 1 17 17 GLU HA H 17 3.912 3.912 3.997 -0.085 19124
188 1 2 . 1 1 17 17 GLU CA C 17 58.624 58.624 59.059 -0.435 19124
189 1 2 . 1 1 17 17 GLU CB C 17 29.234 29.234 28.877 0.357 19124
190 1 2 . 1 1 17 17 GLU H H 17 8.245 8.245 8.529 -0.284 19124
191 1 2 . 1 1 18 18 LYS N N 18 121.316 121.316 119.240 2.076 19124
192 1 2 . 1 1 18 18 LYS HA H 18 3.896 3.896 3.963 -0.067 19124
193 1 2 . 1 1 18 18 LYS CA C 18 60.212 60.212 58.233 1.980 19124
194 1 2 . 1 1 18 18 LYS CB C 18 31.447 31.447 31.917 -0.470 19124
195 1 2 . 1 1 18 18 LYS H H 18 8.768 8.768 7.811 0.957 19124
196 1 2 . 1 1 19 19 LYS N N 19 119.130 119.130 119.282 -0.152 19124
197 1 2 . 1 1 19 19 LYS HA H 19 4.033 4.033 3.902 0.131 19124
198 1 2 . 1 1 19 19 LYS CB C 19 31.579 31.579 31.659 -0.080 19124
199 1 2 . 1 1 19 19 LYS H H 19 8.070 8.070 7.868 0.202 19124
200 1 2 . 1 1 20 20 GLN N N 20 118.825 118.825 118.672 0.153 19124
201 1 2 . 1 1 20 20 GLN HA H 20 4.078 4.078 4.014 0.064 19124
202 1 2 . 1 1 20 20 GLN CA C 20 58.100 58.100 58.709 -0.610 19124
203 1 2 . 1 1 20 20 GLN CB C 20 27.577 27.577 28.192 -0.615 19124
204 1 2 . 1 1 20 20 GLN H H 20 7.893 7.893 8.237 -0.344 19124
205 1 2 . 1 1 21 21 CYS N N 21 120.856 120.856 119.572 1.284 19124
206 1 2 . 1 1 21 21 CYS HA H 21 4.232 4.232 4.103 0.129 19124
207 1 2 . 1 1 21 21 CYS CA C 21 59.017 59.017 62.370 -3.353 19124
208 1 2 . 1 1 21 21 CYS CB C 21 36.741 36.741 26.109 10.632 19124
209 1 2 . 1 1 21 21 CYS H H 21 7.992 7.992 7.372 0.620 19124
210 1 2 . 1 1 22 22 MET N N 22 121.200 121.200 119.549 1.651 19124
211 1 2 . 1 1 22 22 MET HA H 22 4.290 4.290 4.100 0.190 19124
212 1 2 . 1 1 22 22 MET CA C 22 56.986 56.986 58.314 -1.328 19124
213 1 2 . 1 1 22 22 MET CB C 22 30.725 30.725 31.746 -1.021 19124
214 1 2 . 1 1 22 22 MET H H 22 8.673 8.673 8.379 0.294 19124
215 1 2 . 1 1 23 23 LYS N N 23 120.853 120.853 116.955 3.898 19124
216 1 2 . 1 1 23 23 LYS HA H 23 4.190 4.190 4.214 -0.024 19124
217 1 2 . 1 1 23 23 LYS CA C 23 58.745 58.745 58.532 0.213 19124
218 1 2 . 1 1 23 23 LYS CB C 23 31.720 31.720 32.378 -0.658 19124
219 1 2 . 1 1 23 23 LYS H H 23 8.128 8.128 8.167 -0.039 19124
220 1 2 . 1 1 24 24 GLY N N 24 104.975 104.975 106.824 -1.849 19124
221 1 2 . 1 1 24 24 GLY CA C 24 45.441 45.441 46.473 -1.032 19124
222 1 2 . 1 1 24 24 GLY H H 24 7.895 7.895 7.884 0.011 19124
223 1 2 . 1 1 25 25 CYS N N 25 119.579 119.579 117.997 1.582 19124
224 1 2 . 1 1 25 25 CYS HA H 25 4.488 4.488 4.570 -0.082 19124
225 1 2 . 1 1 25 25 CYS CA C 25 56.480 56.480 58.160 -1.680 19124
226 1 2 . 1 1 25 25 CYS CB C 25 40.435 40.435 25.307 15.128 19124
227 1 2 . 1 1 25 25 CYS H H 25 7.862 7.862 7.960 -0.098 19124
228 1 2 . 1 1 26 26 ARG N N 26 121.480 121.480 119.514 1.966 19124
229 1 2 . 1 1 26 26 ARG HA H 26 4.290 4.290 4.312 -0.022 19124
230 1 2 . 1 1 26 26 ARG CA C 26 56.637 56.637 56.730 -0.093 19124
231 1 2 . 1 1 26 26 ARG CB C 26 30.129 30.129 29.946 0.183 19124
232 1 2 . 1 1 26 26 ARG H H 26 8.298 8.298 7.793 0.505 19124
233 1 2 . 1 1 27 27 TYR N N 27 119.050 119.050 120.855 -1.805 19124
234 1 2 . 1 1 27 27 TYR HA H 27 4.749 4.749 4.444 0.305 19124
235 1 2 . 1 1 27 27 TYR CB C 27 38.326 38.326 36.474 1.852 19124
236 1 2 . 1 1 27 27 TYR H H 27 8.016 8.016 7.709 0.307 19124
237 1 3 . 1 1 2 2 ASP HA H 2 4.756 4.756 4.666 0.090 19124
238 1 3 . 1 1 2 2 ASP CB C 2 40.936 40.936 42.924 -1.988 19124
239 1 3 . 1 1 3 3 ASP N N 3 123.145 123.145 119.764 3.381 19124
240 1 3 . 1 1 3 3 ASP HA H 3 4.726 4.726 4.507 0.219 19124
241 1 3 . 1 1 3 3 ASP CA C 3 53.812 53.812 55.727 -1.915 19124
242 1 3 . 1 1 3 3 ASP CB C 3 40.848 40.848 41.126 -0.278 19124
243 1 3 . 1 1 3 3 ASP H H 3 8.502 8.502 8.719 -0.217 19124
244 1 3 . 1 1 4 4 ARG N N 4 121.446 121.446 120.127 1.319 19124
245 1 3 . 1 1 4 4 ARG HA H 4 4.043 4.043 4.036 0.007 19124
246 1 3 . 1 1 4 4 ARG CA C 4 58.945 58.945 59.211 -0.265 19124
247 1 3 . 1 1 4 4 ARG CB C 4 29.658 29.658 29.906 -0.248 19124
248 1 3 . 1 1 4 4 ARG H H 4 8.524 8.524 7.942 0.582 19124
249 1 3 . 1 1 5 5 CYS N N 5 118.368 118.368 117.140 1.228 19124
250 1 3 . 1 1 5 5 CYS HA H 5 4.675 4.675 4.409 0.266 19124
251 1 3 . 1 1 5 5 CYS CA C 5 56.737 56.737 61.235 -4.498 19124
252 1 3 . 1 1 5 5 CYS CB C 5 36.976 36.976 26.172 10.804 19124
253 1 3 . 1 1 5 5 CYS H H 5 8.465 8.465 7.916 0.549 19124
254 1 3 . 1 1 6 6 GLU N N 6 121.562 121.562 120.270 1.292 19124
255 1 3 . 1 1 6 6 GLU HA H 6 4.009 4.009 3.921 0.088 19124
256 1 3 . 1 1 6 6 GLU CA C 6 59.515 59.515 59.655 -0.140 19124
257 1 3 . 1 1 6 6 GLU CB C 6 28.445 28.445 29.208 -0.763 19124
258 1 3 . 1 1 6 6 GLU H H 6 8.501 8.501 7.878 0.623 19124
259 1 3 . 1 1 7 7 ARG N N 7 117.167 117.167 118.275 -1.108 19124
260 1 3 . 1 1 7 7 ARG HA H 7 4.131 4.131 4.057 0.074 19124
261 1 3 . 1 1 7 7 ARG CA C 7 56.178 56.178 58.744 -2.566 19124
262 1 3 . 1 1 7 7 ARG CB C 7 29.463 29.463 29.983 -0.520 19124
263 1 3 . 1 1 7 7 ARG H H 7 8.073 8.073 8.012 0.061 19124
264 1 3 . 1 1 8 8 MET N N 8 118.916 118.916 118.384 0.532 19124
265 1 3 . 1 1 8 8 MET HA H 8 4.325 4.325 4.323 0.002 19124
266 1 3 . 1 1 8 8 MET CA C 8 57.991 57.991 58.450 -0.459 19124
267 1 3 . 1 1 8 8 MET CB C 8 32.167 32.167 32.418 -0.251 19124
268 1 3 . 1 1 8 8 MET H H 8 8.120 8.120 7.599 0.521 19124
269 1 3 . 1 1 9 9 CYS N N 9 114.907 114.907 116.318 -1.411 19124
270 1 3 . 1 1 9 9 CYS HA H 9 5.170 5.170 4.724 0.446 19124
271 1 3 . 1 1 9 9 CYS CA C 9 53.529 53.529 58.192 -4.663 19124
272 1 3 . 1 1 9 9 CYS CB C 9 37.987 37.987 24.960 13.027 19124
273 1 3 . 1 1 9 9 CYS H H 9 8.136 8.136 8.081 0.055 19124
274 1 3 . 1 1 10 10 GLN N N 10 120.125 120.125 122.804 -2.679 19124
275 1 3 . 1 1 10 10 GLN HA H 10 4.117 4.117 4.041 0.076 19124
276 1 3 . 1 1 10 10 GLN CA C 10 57.534 57.534 58.023 -0.489 19124
277 1 3 . 1 1 10 10 GLN CB C 10 27.501 27.501 28.076 -0.575 19124
278 1 3 . 1 1 10 10 GLN H H 10 7.736 7.736 7.979 -0.243 19124
279 1 3 . 1 1 11 11 ARG N N 11 114.823 114.823 117.542 -2.719 19124
280 1 3 . 1 1 11 11 ARG HA H 11 4.125 4.125 3.995 0.130 19124
281 1 3 . 1 1 11 11 ARG CA C 11 58.646 58.646 57.591 1.055 19124
282 1 3 . 1 1 11 11 ARG CB C 11 28.634 28.634 29.945 -1.311 19124
283 1 3 . 1 1 11 11 ARG H H 11 7.679 7.679 7.753 -0.074 19124
284 1 3 . 1 1 12 12 TYR N N 12 119.718 119.718 119.484 0.234 19124
285 1 3 . 1 1 12 12 TYR HA H 12 4.574 4.574 4.647 -0.073 19124
286 1 3 . 1 1 12 12 TYR CA C 12 57.663 57.663 55.760 1.903 19124
287 1 3 . 1 1 12 12 TYR CB C 12 37.055 37.055 36.693 0.362 19124
288 1 3 . 1 1 12 12 TYR H H 12 7.405 7.405 7.393 0.012 19124
289 1 3 . 1 1 13 13 HIS CB C 13 28.878 28.878 29.063 -0.185 19124
290 1 3 . 1 1 14 14 ASP N N 14 121.456 121.456 120.798 0.658 19124
291 1 3 . 1 1 14 14 ASP HA H 14 4.770 4.770 4.703 0.067 19124
292 1 3 . 1 1 14 14 ASP CB C 14 42.593 42.593 42.499 0.094 19124
293 1 3 . 1 1 14 14 ASP H H 14 8.501 8.501 8.225 0.276 19124
294 1 3 . 1 1 15 15 ARG N N 15 126.394 126.394 125.053 1.341 19124
295 1 3 . 1 1 15 15 ARG HA H 15 4.014 4.014 4.005 0.009 19124
296 1 3 . 1 1 15 15 ARG CA C 15 59.230 59.230 58.988 0.242 19124
297 1 3 . 1 1 15 15 ARG CB C 15 29.636 29.636 30.200 -0.563 19124
298 1 3 . 1 1 15 15 ARG H H 15 8.975 8.975 8.752 0.223 19124
299 1 3 . 1 1 16 16 ARG N N 16 120.362 120.362 119.641 0.721 19124
300 1 3 . 1 1 16 16 ARG HA H 16 4.102 4.102 4.096 0.006 19124
301 1 3 . 1 1 16 16 ARG CA C 16 59.020 59.020 59.281 -0.261 19124
302 1 3 . 1 1 16 16 ARG CB C 16 28.892 28.892 29.535 -0.643 19124
303 1 3 . 1 1 16 16 ARG H H 16 8.436 8.436 7.835 0.601 19124
304 1 3 . 1 1 17 17 GLU N N 17 120.565 120.565 118.971 1.594 19124
305 1 3 . 1 1 17 17 GLU HA H 17 3.912 3.912 4.027 -0.115 19124
306 1 3 . 1 1 17 17 GLU CA C 17 58.624 58.624 58.629 -0.005 19124
307 1 3 . 1 1 17 17 GLU CB C 17 29.234 29.234 28.536 0.698 19124
308 1 3 . 1 1 17 17 GLU H H 17 8.245 8.245 8.536 -0.291 19124
309 1 3 . 1 1 18 18 LYS N N 18 121.316 121.316 120.050 1.266 19124
310 1 3 . 1 1 18 18 LYS HA H 18 3.896 3.896 3.976 -0.080 19124
311 1 3 . 1 1 18 18 LYS CA C 18 60.212 60.212 59.413 0.799 19124
312 1 3 . 1 1 18 18 LYS CB C 18 31.447 31.447 32.285 -0.838 19124
313 1 3 . 1 1 18 18 LYS H H 18 8.768 8.768 7.950 0.818 19124
314 1 3 . 1 1 19 19 LYS N N 19 119.130 119.130 119.004 0.126 19124
315 1 3 . 1 1 19 19 LYS HA H 19 4.033 4.033 3.887 0.146 19124
316 1 3 . 1 1 19 19 LYS CB C 19 31.579 31.579 31.667 -0.088 19124
317 1 3 . 1 1 19 19 LYS H H 19 8.070 8.070 7.691 0.379 19124
318 1 3 . 1 1 20 20 GLN N N 20 118.825 118.825 118.564 0.261 19124
319 1 3 . 1 1 20 20 GLN HA H 20 4.078 4.078 4.043 0.035 19124
320 1 3 . 1 1 20 20 GLN CA C 20 58.100 58.100 58.751 -0.651 19124
321 1 3 . 1 1 20 20 GLN CB C 20 27.577 27.577 28.189 -0.612 19124
322 1 3 . 1 1 20 20 GLN H H 20 7.893 7.893 8.287 -0.394 19124
323 1 3 . 1 1 21 21 CYS N N 21 120.856 120.856 118.875 1.981 19124
324 1 3 . 1 1 21 21 CYS HA H 21 4.232 4.232 4.117 0.115 19124
325 1 3 . 1 1 21 21 CYS CA C 21 59.017 59.017 62.128 -3.111 19124
326 1 3 . 1 1 21 21 CYS CB C 21 36.741 36.741 26.131 10.610 19124
327 1 3 . 1 1 21 21 CYS H H 21 7.992 7.992 7.491 0.501 19124
328 1 3 . 1 1 22 22 MET N N 22 121.200 121.200 119.790 1.410 19124
329 1 3 . 1 1 22 22 MET HA H 22 4.290 4.290 4.068 0.222 19124
330 1 3 . 1 1 22 22 MET CA C 22 56.986 56.986 58.503 -1.517 19124
331 1 3 . 1 1 22 22 MET CB C 22 30.725 30.725 31.797 -1.072 19124
332 1 3 . 1 1 22 22 MET H H 22 8.673 8.673 8.452 0.221 19124
333 1 3 . 1 1 23 23 LYS N N 23 120.853 120.853 118.286 2.567 19124
334 1 3 . 1 1 23 23 LYS HA H 23 4.190 4.190 4.098 0.092 19124
335 1 3 . 1 1 23 23 LYS CA C 23 58.745 58.745 59.287 -0.542 19124
336 1 3 . 1 1 23 23 LYS CB C 23 31.720 31.720 32.224 -0.503 19124
337 1 3 . 1 1 23 23 LYS H H 23 8.128 8.128 8.124 0.004 19124
338 1 3 . 1 1 24 24 GLY N N 24 104.975 104.975 106.919 -1.944 19124
339 1 3 . 1 1 24 24 GLY CA C 24 45.441 45.441 46.765 -1.324 19124
340 1 3 . 1 1 24 24 GLY H H 24 7.895 7.895 8.028 -0.133 19124
341 1 3 . 1 1 25 25 CYS N N 25 119.579 119.579 121.243 -1.664 19124
342 1 3 . 1 1 25 25 CYS HA H 25 4.488 4.488 4.985 -0.497 19124
343 1 3 . 1 1 25 25 CYS CA C 25 56.480 56.480 58.130 -1.650 19124
344 1 3 . 1 1 25 25 CYS CB C 25 40.435 40.435 25.664 14.771 19124
345 1 3 . 1 1 25 25 CYS H H 25 7.862 7.862 8.133 -0.271 19124
346 1 3 . 1 1 26 26 ARG N N 26 121.480 121.480 120.090 1.390 19124
347 1 3 . 1 1 26 26 ARG HA H 26 4.290 4.290 4.163 0.127 19124
348 1 3 . 1 1 26 26 ARG CA C 26 56.637 56.637 57.218 -0.581 19124
349 1 3 . 1 1 26 26 ARG CB C 26 30.129 30.129 30.289 -0.160 19124
350 1 3 . 1 1 26 26 ARG H H 26 8.298 8.298 7.917 0.381 19124
351 1 3 . 1 1 27 27 TYR N N 27 119.050 119.050 117.481 1.569 19124
352 1 3 . 1 1 27 27 TYR HA H 27 4.749 4.749 4.569 0.180 19124
353 1 3 . 1 1 27 27 TYR CB C 27 38.326 38.326 38.860 -0.534 19124
354 1 3 . 1 1 27 27 TYR H H 27 8.016 8.016 7.452 0.564 19124
355 1 4 . 1 1 2 2 ASP HA H 2 4.756 4.756 4.553 0.203 19124
356 1 4 . 1 1 2 2 ASP CB C 2 40.936 40.936 41.153 -0.216 19124
357 1 4 . 1 1 3 3 ASP N N 3 123.145 123.145 118.488 4.657 19124
358 1 4 . 1 1 3 3 ASP HA H 3 4.726 4.726 4.647 0.079 19124
359 1 4 . 1 1 3 3 ASP CA C 3 53.812 53.812 53.922 -0.111 19124
360 1 4 . 1 1 3 3 ASP CB C 3 40.848 40.848 39.461 1.387 19124
361 1 4 . 1 1 3 3 ASP H H 3 8.502 8.502 8.565 -0.063 19124
362 1 4 . 1 1 4 4 ARG N N 4 121.446 121.446 120.779 0.667 19124
363 1 4 . 1 1 4 4 ARG HA H 4 4.043 4.043 4.193 -0.150 19124
364 1 4 . 1 1 4 4 ARG CA C 4 58.945 58.945 59.698 -0.753 19124
365 1 4 . 1 1 4 4 ARG CB C 4 29.658 29.658 30.437 -0.779 19124
366 1 4 . 1 1 4 4 ARG H H 4 8.524 8.524 8.110 0.414 19124
367 1 4 . 1 1 5 5 CYS N N 5 118.368 118.368 117.064 1.304 19124
368 1 4 . 1 1 5 5 CYS HA H 5 4.675 4.675 4.237 0.438 19124
369 1 4 . 1 1 5 5 CYS CA C 5 56.737 56.737 62.336 -5.599 19124
370 1 4 . 1 1 5 5 CYS CB C 5 36.976 36.976 25.992 10.984 19124
371 1 4 . 1 1 5 5 CYS H H 5 8.465 8.465 8.664 -0.199 19124
372 1 4 . 1 1 6 6 GLU N N 6 121.562 121.562 118.476 3.086 19124
373 1 4 . 1 1 6 6 GLU HA H 6 4.009 4.009 3.985 0.024 19124
374 1 4 . 1 1 6 6 GLU CA C 6 59.515 59.515 59.488 0.027 19124
375 1 4 . 1 1 6 6 GLU CB C 6 28.445 28.445 29.165 -0.720 19124
376 1 4 . 1 1 6 6 GLU H H 6 8.501 8.501 8.331 0.170 19124
377 1 4 . 1 1 7 7 ARG N N 7 117.167 117.167 117.548 -0.381 19124
378 1 4 . 1 1 7 7 ARG HA H 7 4.131 4.131 4.073 0.058 19124
379 1 4 . 1 1 7 7 ARG CA C 7 56.178 56.178 58.550 -2.372 19124
380 1 4 . 1 1 7 7 ARG CB C 7 29.463 29.463 30.245 -0.782 19124
381 1 4 . 1 1 7 7 ARG H H 7 8.073 8.073 7.722 0.351 19124
382 1 4 . 1 1 8 8 MET N N 8 118.916 118.916 118.107 0.809 19124
383 1 4 . 1 1 8 8 MET HA H 8 4.325 4.325 4.295 0.030 19124
384 1 4 . 1 1 8 8 MET CA C 8 57.991 57.991 58.487 -0.496 19124
385 1 4 . 1 1 8 8 MET CB C 8 32.167 32.167 32.534 -0.367 19124
386 1 4 . 1 1 8 8 MET H H 8 8.120 8.120 7.862 0.258 19124
387 1 4 . 1 1 9 9 CYS N N 9 114.907 114.907 115.991 -1.084 19124
388 1 4 . 1 1 9 9 CYS HA H 9 5.170 5.170 4.536 0.634 19124
389 1 4 . 1 1 9 9 CYS CA C 9 53.529 53.529 58.511 -4.982 19124
390 1 4 . 1 1 9 9 CYS CB C 9 37.987 37.987 25.272 12.715 19124
391 1 4 . 1 1 9 9 CYS H H 9 8.136 8.136 8.184 -0.048 19124
392 1 4 . 1 1 10 10 GLN N N 10 120.125 120.125 121.688 -1.563 19124
393 1 4 . 1 1 10 10 GLN HA H 10 4.117 4.117 3.966 0.151 19124
394 1 4 . 1 1 10 10 GLN CA C 10 57.534 57.534 58.955 -1.421 19124
395 1 4 . 1 1 10 10 GLN CB C 10 27.501 27.501 28.539 -1.038 19124
396 1 4 . 1 1 10 10 GLN H H 10 7.736 7.736 7.729 0.007 19124
397 1 4 . 1 1 11 11 ARG N N 11 114.823 114.823 117.129 -2.306 19124
398 1 4 . 1 1 11 11 ARG HA H 11 4.125 4.125 3.950 0.175 19124
399 1 4 . 1 1 11 11 ARG CA C 11 58.646 58.646 57.857 0.789 19124
400 1 4 . 1 1 11 11 ARG CB C 11 28.634 28.634 29.614 -0.980 19124
401 1 4 . 1 1 11 11 ARG H H 11 7.679 7.679 7.816 -0.137 19124
402 1 4 . 1 1 12 12 TYR N N 12 119.718 119.718 119.470 0.248 19124
403 1 4 . 1 1 12 12 TYR HA H 12 4.574 4.574 4.591 -0.017 19124
404 1 4 . 1 1 12 12 TYR CA C 12 57.663 57.663 56.722 0.941 19124
405 1 4 . 1 1 12 12 TYR CB C 12 37.055 37.055 36.895 0.160 19124
406 1 4 . 1 1 12 12 TYR H H 12 7.405 7.405 7.294 0.111 19124
407 1 4 . 1 1 13 13 HIS CB C 13 28.878 28.878 30.170 -1.292 19124
408 1 4 . 1 1 14 14 ASP N N 14 121.456 121.456 118.714 2.742 19124
409 1 4 . 1 1 14 14 ASP HA H 14 4.770 4.770 4.890 -0.120 19124
410 1 4 . 1 1 14 14 ASP CB C 14 42.593 42.593 43.568 -0.975 19124
411 1 4 . 1 1 14 14 ASP H H 14 8.501 8.501 7.863 0.638 19124
412 1 4 . 1 1 15 15 ARG N N 15 126.394 126.394 123.203 3.191 19124
413 1 4 . 1 1 15 15 ARG HA H 15 4.014 4.014 3.873 0.141 19124
414 1 4 . 1 1 15 15 ARG CA C 15 59.230 59.230 59.023 0.207 19124
415 1 4 . 1 1 15 15 ARG CB C 15 29.636 29.636 29.953 -0.317 19124
416 1 4 . 1 1 15 15 ARG H H 15 8.975 8.975 8.726 0.249 19124
417 1 4 . 1 1 16 16 ARG N N 16 120.362 120.362 119.460 0.902 19124
418 1 4 . 1 1 16 16 ARG HA H 16 4.102 4.102 4.109 -0.007 19124
419 1 4 . 1 1 16 16 ARG CA C 16 59.020 59.020 59.191 -0.172 19124
420 1 4 . 1 1 16 16 ARG CB C 16 28.892 28.892 29.536 -0.644 19124
421 1 4 . 1 1 16 16 ARG H H 16 8.436 8.436 8.460 -0.024 19124
422 1 4 . 1 1 17 17 GLU N N 17 120.565 120.565 118.914 1.651 19124
423 1 4 . 1 1 17 17 GLU HA H 17 3.912 3.912 3.989 -0.077 19124
424 1 4 . 1 1 17 17 GLU CA C 17 58.624 58.624 58.865 -0.241 19124
425 1 4 . 1 1 17 17 GLU CB C 17 29.234 29.234 28.653 0.581 19124
426 1 4 . 1 1 17 17 GLU H H 17 8.245 8.245 8.492 -0.247 19124
427 1 4 . 1 1 18 18 LYS N N 18 121.316 121.316 119.694 1.622 19124
428 1 4 . 1 1 18 18 LYS HA H 18 3.896 3.896 3.981 -0.085 19124
429 1 4 . 1 1 18 18 LYS CA C 18 60.212 60.212 58.207 2.005 19124
430 1 4 . 1 1 18 18 LYS CB C 18 31.447 31.447 31.938 -0.490 19124
431 1 4 . 1 1 18 18 LYS H H 18 8.768 8.768 7.912 0.856 19124
432 1 4 . 1 1 19 19 LYS N N 19 119.130 119.130 119.651 -0.521 19124
433 1 4 . 1 1 19 19 LYS HA H 19 4.033 4.033 3.919 0.114 19124
434 1 4 . 1 1 19 19 LYS CB C 19 31.579 31.579 31.612 -0.033 19124
435 1 4 . 1 1 19 19 LYS H H 19 8.070 8.070 7.824 0.246 19124
436 1 4 . 1 1 20 20 GLN N N 20 118.825 118.825 118.254 0.571 19124
437 1 4 . 1 1 20 20 GLN HA H 20 4.078 4.078 4.034 0.044 19124
438 1 4 . 1 1 20 20 GLN CA C 20 58.100 58.100 58.609 -0.509 19124
439 1 4 . 1 1 20 20 GLN CB C 20 27.577 27.577 27.869 -0.292 19124
440 1 4 . 1 1 20 20 GLN H H 20 7.893 7.893 8.176 -0.283 19124
441 1 4 . 1 1 21 21 CYS N N 21 120.856 120.856 120.111 0.745 19124
442 1 4 . 1 1 21 21 CYS HA H 21 4.232 4.232 4.147 0.085 19124
443 1 4 . 1 1 21 21 CYS CA C 21 59.017 59.017 62.199 -3.182 19124
444 1 4 . 1 1 21 21 CYS CB C 21 36.741 36.741 26.185 10.556 19124
445 1 4 . 1 1 21 21 CYS H H 21 7.992 7.992 7.418 0.574 19124
446 1 4 . 1 1 22 22 MET N N 22 121.200 121.200 119.324 1.876 19124
447 1 4 . 1 1 22 22 MET HA H 22 4.290 4.290 4.118 0.172 19124
448 1 4 . 1 1 22 22 MET CA C 22 56.986 56.986 58.228 -1.242 19124
449 1 4 . 1 1 22 22 MET CB C 22 30.725 30.725 31.765 -1.040 19124
450 1 4 . 1 1 22 22 MET H H 22 8.673 8.673 8.397 0.276 19124
451 1 4 . 1 1 23 23 LYS N N 23 120.853 120.853 116.316 4.537 19124
452 1 4 . 1 1 23 23 LYS HA H 23 4.190 4.190 4.292 -0.102 19124
453 1 4 . 1 1 23 23 LYS CA C 23 58.745 58.745 58.106 0.639 19124
454 1 4 . 1 1 23 23 LYS CB C 23 31.720 31.720 32.557 -0.837 19124
455 1 4 . 1 1 23 23 LYS H H 23 8.128 8.128 8.037 0.091 19124
456 1 4 . 1 1 24 24 GLY N N 24 104.975 104.975 107.349 -2.374 19124
457 1 4 . 1 1 24 24 GLY CA C 24 45.441 45.441 46.617 -1.176 19124
458 1 4 . 1 1 24 24 GLY H H 24 7.895 7.895 8.090 -0.195 19124
459 1 4 . 1 1 25 25 CYS N N 25 119.579 119.579 118.277 1.302 19124
460 1 4 . 1 1 25 25 CYS HA H 25 4.488 4.488 4.579 -0.091 19124
461 1 4 . 1 1 25 25 CYS CA C 25 56.480 56.480 58.211 -1.731 19124
462 1 4 . 1 1 25 25 CYS CB C 25 40.435 40.435 25.277 15.158 19124
463 1 4 . 1 1 25 25 CYS H H 25 7.862 7.862 7.905 -0.043 19124
464 1 4 . 1 1 26 26 ARG N N 26 121.480 121.480 120.195 1.285 19124
465 1 4 . 1 1 26 26 ARG HA H 26 4.290 4.290 4.346 -0.056 19124
466 1 4 . 1 1 26 26 ARG CA C 26 56.637 56.637 57.314 -0.677 19124
467 1 4 . 1 1 26 26 ARG CB C 26 30.129 30.129 30.245 -0.116 19124
468 1 4 . 1 1 26 26 ARG H H 26 8.298 8.298 7.729 0.569 19124
469 1 4 . 1 1 27 27 TYR N N 27 119.050 119.050 118.325 0.725 19124
470 1 4 . 1 1 27 27 TYR HA H 27 4.749 4.749 4.420 0.329 19124
471 1 4 . 1 1 27 27 TYR CB C 27 38.326 38.326 39.308 -0.982 19124
472 1 4 . 1 1 27 27 TYR H H 27 8.016 8.016 7.818 0.198 19124
473 1 5 . 1 1 2 2 ASP HA H 2 4.756 4.756 4.335 0.421 19124
474 1 5 . 1 1 2 2 ASP CB C 2 40.936 40.936 40.785 0.151 19124
475 1 5 . 1 1 3 3 ASP N N 3 123.145 123.145 118.309 4.836 19124
476 1 5 . 1 1 3 3 ASP HA H 3 4.726 4.726 4.686 0.040 19124
477 1 5 . 1 1 3 3 ASP CA C 3 53.812 53.812 55.964 -2.152 19124
478 1 5 . 1 1 3 3 ASP CB C 3 40.848 40.848 40.730 0.118 19124
479 1 5 . 1 1 3 3 ASP H H 3 8.502 8.502 8.671 -0.169 19124
480 1 5 . 1 1 4 4 ARG N N 4 121.446 121.446 120.778 0.668 19124
481 1 5 . 1 1 4 4 ARG HA H 4 4.043 4.043 4.057 -0.014 19124
482 1 5 . 1 1 4 4 ARG CA C 4 58.945 58.945 58.901 0.043 19124
483 1 5 . 1 1 4 4 ARG CB C 4 29.658 29.658 28.941 0.717 19124
484 1 5 . 1 1 4 4 ARG H H 4 8.524 8.524 8.446 0.078 19124
485 1 5 . 1 1 5 5 CYS N N 5 118.368 118.368 118.707 -0.339 19124
486 1 5 . 1 1 5 5 CYS HA H 5 4.675 4.675 4.306 0.369 19124
487 1 5 . 1 1 5 5 CYS CA C 5 56.737 56.737 61.897 -5.160 19124
488 1 5 . 1 1 5 5 CYS CB C 5 36.976 36.976 25.525 11.451 19124
489 1 5 . 1 1 5 5 CYS H H 5 8.465 8.465 8.534 -0.069 19124
490 1 5 . 1 1 6 6 GLU N N 6 121.562 121.562 120.074 1.488 19124
491 1 5 . 1 1 6 6 GLU HA H 6 4.009 4.009 3.954 0.055 19124
492 1 5 . 1 1 6 6 GLU CA C 6 59.515 59.515 59.114 0.401 19124
493 1 5 . 1 1 6 6 GLU CB C 6 28.445 28.445 29.428 -0.983 19124
494 1 5 . 1 1 6 6 GLU H H 6 8.501 8.501 7.644 0.857 19124
495 1 5 . 1 1 7 7 ARG N N 7 117.167 117.167 117.641 -0.474 19124
496 1 5 . 1 1 7 7 ARG HA H 7 4.131 4.131 4.098 0.033 19124
497 1 5 . 1 1 7 7 ARG CA C 7 56.178 56.178 58.479 -2.301 19124
498 1 5 . 1 1 7 7 ARG CB C 7 29.463 29.463 30.324 -0.861 19124
499 1 5 . 1 1 7 7 ARG H H 7 8.073 8.073 8.004 0.069 19124
500 1 5 . 1 1 8 8 MET N N 8 118.916 118.916 118.614 0.302 19124
501 1 5 . 1 1 8 8 MET HA H 8 4.325 4.325 4.221 0.104 19124
502 1 5 . 1 1 8 8 MET CA C 8 57.991 57.991 59.070 -1.079 19124
503 1 5 . 1 1 8 8 MET CB C 8 32.167 32.167 32.877 -0.710 19124
504 1 5 . 1 1 8 8 MET H H 8 8.120 8.120 7.767 0.353 19124
505 1 5 . 1 1 9 9 CYS N N 9 114.907 114.907 115.797 -0.890 19124
506 1 5 . 1 1 9 9 CYS HA H 9 5.170 5.170 4.514 0.656 19124
507 1 5 . 1 1 9 9 CYS CA C 9 53.529 53.529 58.416 -4.888 19124
508 1 5 . 1 1 9 9 CYS CB C 9 37.987 37.987 25.358 12.629 19124
509 1 5 . 1 1 9 9 CYS H H 9 8.136 8.136 8.246 -0.110 19124
510 1 5 . 1 1 10 10 GLN N N 10 120.125 120.125 121.826 -1.701 19124
511 1 5 . 1 1 10 10 GLN HA H 10 4.117 4.117 4.030 0.087 19124
512 1 5 . 1 1 10 10 GLN CA C 10 57.534 57.534 59.222 -1.688 19124
513 1 5 . 1 1 10 10 GLN CB C 10 27.501 27.501 28.537 -1.036 19124
514 1 5 . 1 1 10 10 GLN H H 10 7.736 7.736 8.039 -0.303 19124
515 1 5 . 1 1 11 11 ARG N N 11 114.823 114.823 117.039 -2.216 19124
516 1 5 . 1 1 11 11 ARG HA H 11 4.125 4.125 3.842 0.283 19124
517 1 5 . 1 1 11 11 ARG CA C 11 58.646 58.646 57.765 0.881 19124
518 1 5 . 1 1 11 11 ARG CB C 11 28.634 28.634 29.608 -0.974 19124
519 1 5 . 1 1 11 11 ARG H H 11 7.679 7.679 7.755 -0.076 19124
520 1 5 . 1 1 12 12 TYR N N 12 119.718 119.718 119.230 0.488 19124
521 1 5 . 1 1 12 12 TYR HA H 12 4.574 4.574 4.659 -0.085 19124
522 1 5 . 1 1 12 12 TYR CA C 12 57.663 57.663 56.438 1.225 19124
523 1 5 . 1 1 12 12 TYR CB C 12 37.055 37.055 37.186 -0.131 19124
524 1 5 . 1 1 12 12 TYR H H 12 7.405 7.405 7.412 -0.007 19124
525 1 5 . 1 1 13 13 HIS CB C 13 28.878 28.878 29.955 -1.077 19124
526 1 5 . 1 1 14 14 ASP N N 14 121.456 121.456 118.798 2.658 19124
527 1 5 . 1 1 14 14 ASP HA H 14 4.770 4.770 4.818 -0.048 19124
528 1 5 . 1 1 14 14 ASP CB C 14 42.593 42.593 42.899 -0.306 19124
529 1 5 . 1 1 14 14 ASP H H 14 8.501 8.501 8.001 0.500 19124
530 1 5 . 1 1 15 15 ARG N N 15 126.394 126.394 124.179 2.215 19124
531 1 5 . 1 1 15 15 ARG HA H 15 4.014 4.014 4.036 -0.022 19124
532 1 5 . 1 1 15 15 ARG CA C 15 59.230 59.230 58.214 1.016 19124
533 1 5 . 1 1 15 15 ARG CB C 15 29.636 29.636 30.100 -0.464 19124
534 1 5 . 1 1 15 15 ARG H H 15 8.975 8.975 8.796 0.180 19124
535 1 5 . 1 1 16 16 ARG N N 16 120.362 120.362 119.721 0.641 19124
536 1 5 . 1 1 16 16 ARG HA H 16 4.102 4.102 4.099 0.003 19124
537 1 5 . 1 1 16 16 ARG CA C 16 59.020 59.020 59.428 -0.408 19124
538 1 5 . 1 1 16 16 ARG CB C 16 28.892 28.892 29.786 -0.894 19124
539 1 5 . 1 1 16 16 ARG H H 16 8.436 8.436 7.701 0.735 19124
540 1 5 . 1 1 17 17 GLU N N 17 120.565 120.565 119.366 1.199 19124
541 1 5 . 1 1 17 17 GLU HA H 17 3.912 3.912 3.948 -0.036 19124
542 1 5 . 1 1 17 17 GLU CA C 17 58.624 58.624 58.972 -0.348 19124
543 1 5 . 1 1 17 17 GLU CB C 17 29.234 29.234 28.843 0.391 19124
544 1 5 . 1 1 17 17 GLU H H 17 8.245 8.245 8.512 -0.267 19124
545 1 5 . 1 1 18 18 LYS N N 18 121.316 121.316 119.338 1.978 19124
546 1 5 . 1 1 18 18 LYS HA H 18 3.896 3.896 3.989 -0.093 19124
547 1 5 . 1 1 18 18 LYS CA C 18 60.212 60.212 58.844 1.368 19124
548 1 5 . 1 1 18 18 LYS CB C 18 31.447 31.447 32.105 -0.658 19124
549 1 5 . 1 1 18 18 LYS H H 18 8.768 8.768 7.876 0.892 19124
550 1 5 . 1 1 19 19 LYS N N 19 119.130 119.130 119.221 -0.091 19124
551 1 5 . 1 1 19 19 LYS HA H 19 4.033 4.033 3.895 0.138 19124
552 1 5 . 1 1 19 19 LYS CB C 19 31.579 31.579 31.611 -0.032 19124
553 1 5 . 1 1 19 19 LYS H H 19 8.070 8.070 7.749 0.321 19124
554 1 5 . 1 1 20 20 GLN N N 20 118.825 118.825 118.888 -0.063 19124
555 1 5 . 1 1 20 20 GLN HA H 20 4.078 4.078 4.084 -0.006 19124
556 1 5 . 1 1 20 20 GLN CA C 20 58.100 58.100 58.592 -0.492 19124
557 1 5 . 1 1 20 20 GLN CB C 20 27.577 27.577 27.790 -0.213 19124
558 1 5 . 1 1 20 20 GLN H H 20 7.893 7.893 8.209 -0.316 19124
559 1 5 . 1 1 21 21 CYS N N 21 120.856 120.856 119.151 1.705 19124
560 1 5 . 1 1 21 21 CYS HA H 21 4.232 4.232 4.173 0.059 19124
561 1 5 . 1 1 21 21 CYS CA C 21 59.017 59.017 61.975 -2.958 19124
562 1 5 . 1 1 21 21 CYS CB C 21 36.741 36.741 25.964 10.777 19124
563 1 5 . 1 1 21 21 CYS H H 21 7.992 7.992 7.404 0.588 19124
564 1 5 . 1 1 22 22 MET N N 22 121.200 121.200 120.041 1.159 19124
565 1 5 . 1 1 22 22 MET HA H 22 4.290 4.290 4.057 0.233 19124
566 1 5 . 1 1 22 22 MET CA C 22 56.986 56.986 58.234 -1.248 19124
567 1 5 . 1 1 22 22 MET CB C 22 30.725 30.725 31.732 -1.007 19124
568 1 5 . 1 1 22 22 MET H H 22 8.673 8.673 8.337 0.336 19124
569 1 5 . 1 1 23 23 LYS N N 23 120.853 120.853 118.744 2.109 19124
570 1 5 . 1 1 23 23 LYS HA H 23 4.190 4.190 4.111 0.079 19124
571 1 5 . 1 1 23 23 LYS CA C 23 58.745 58.745 59.260 -0.515 19124
572 1 5 . 1 1 23 23 LYS CB C 23 31.720 31.720 32.246 -0.526 19124
573 1 5 . 1 1 23 23 LYS H H 23 8.128 8.128 8.331 -0.203 19124
574 1 5 . 1 1 24 24 GLY N N 24 104.975 104.975 106.724 -1.749 19124
575 1 5 . 1 1 24 24 GLY CA C 24 45.441 45.441 46.909 -1.468 19124
576 1 5 . 1 1 24 24 GLY H H 24 7.895 7.895 8.045 -0.150 19124
577 1 5 . 1 1 25 25 CYS N N 25 119.579 119.579 120.056 -0.477 19124
578 1 5 . 1 1 25 25 CYS HA H 25 4.488 4.488 4.548 -0.060 19124
579 1 5 . 1 1 25 25 CYS CA C 25 56.480 56.480 58.839 -2.359 19124
580 1 5 . 1 1 25 25 CYS CB C 25 40.435 40.435 25.492 14.943 19124
581 1 5 . 1 1 25 25 CYS H H 25 7.862 7.862 7.825 0.037 19124
582 1 5 . 1 1 26 26 ARG N N 26 121.480 121.480 119.095 2.385 19124
583 1 5 . 1 1 26 26 ARG HA H 26 4.290 4.290 4.305 -0.015 19124
584 1 5 . 1 1 26 26 ARG CA C 26 56.637 56.637 57.251 -0.614 19124
585 1 5 . 1 1 26 26 ARG CB C 26 30.129 30.129 30.170 -0.041 19124
586 1 5 . 1 1 26 26 ARG H H 26 8.298 8.298 7.954 0.344 19124
587 1 5 . 1 1 27 27 TYR N N 27 119.050 119.050 119.108 -0.058 19124
588 1 5 . 1 1 27 27 TYR HA H 27 4.749 4.749 4.347 0.402 19124
589 1 5 . 1 1 27 27 TYR CB C 27 38.326 38.326 38.399 -0.073 19124
590 1 5 . 1 1 27 27 TYR H H 27 8.016 8.016 7.767 0.249 19124
591 1 6 . 1 1 2 2 ASP HA H 2 4.756 4.756 4.711 0.045 19124
592 1 6 . 1 1 2 2 ASP CB C 2 40.936 40.936 42.733 -1.797 19124
593 1 6 . 1 1 3 3 ASP N N 3 123.145 123.145 121.039 2.106 19124
594 1 6 . 1 1 3 3 ASP HA H 3 4.726 4.726 4.547 0.179 19124
595 1 6 . 1 1 3 3 ASP CA C 3 53.812 53.812 55.579 -1.767 19124
596 1 6 . 1 1 3 3 ASP CB C 3 40.848 40.848 41.126 -0.278 19124
597 1 6 . 1 1 3 3 ASP H H 3 8.502 8.502 8.551 -0.049 19124
598 1 6 . 1 1 4 4 ARG N N 4 121.446 121.446 119.886 1.560 19124
599 1 6 . 1 1 4 4 ARG HA H 4 4.043 4.043 4.000 0.043 19124
600 1 6 . 1 1 4 4 ARG CA C 4 58.945 58.945 59.116 -0.171 19124
601 1 6 . 1 1 4 4 ARG CB C 4 29.658 29.658 29.901 -0.243 19124
602 1 6 . 1 1 4 4 ARG H H 4 8.524 8.524 8.456 0.068 19124
603 1 6 . 1 1 5 5 CYS N N 5 118.368 118.368 116.886 1.482 19124
604 1 6 . 1 1 5 5 CYS HA H 5 4.675 4.675 4.255 0.420 19124
605 1 6 . 1 1 5 5 CYS CA C 5 56.737 56.737 61.986 -5.249 19124
606 1 6 . 1 1 5 5 CYS CB C 5 36.976 36.976 26.256 10.720 19124
607 1 6 . 1 1 5 5 CYS H H 5 8.465 8.465 7.807 0.658 19124
608 1 6 . 1 1 6 6 GLU N N 6 121.562 121.562 119.621 1.941 19124
609 1 6 . 1 1 6 6 GLU HA H 6 4.009 4.009 3.957 0.052 19124
610 1 6 . 1 1 6 6 GLU CA C 6 59.515 59.515 59.622 -0.107 19124
611 1 6 . 1 1 6 6 GLU CB C 6 28.445 28.445 29.068 -0.623 19124
612 1 6 . 1 1 6 6 GLU H H 6 8.501 8.501 8.244 0.257 19124
613 1 6 . 1 1 7 7 ARG N N 7 117.167 117.167 118.039 -0.872 19124
614 1 6 . 1 1 7 7 ARG HA H 7 4.131 4.131 4.018 0.113 19124
615 1 6 . 1 1 7 7 ARG CA C 7 56.178 56.178 58.572 -2.394 19124
616 1 6 . 1 1 7 7 ARG CB C 7 29.463 29.463 30.230 -0.767 19124
617 1 6 . 1 1 7 7 ARG H H 7 8.073 8.073 7.958 0.115 19124
618 1 6 . 1 1 8 8 MET N N 8 118.916 118.916 118.155 0.761 19124
619 1 6 . 1 1 8 8 MET HA H 8 4.325 4.325 4.276 0.049 19124
620 1 6 . 1 1 8 8 MET CA C 8 57.991 57.991 58.376 -0.385 19124
621 1 6 . 1 1 8 8 MET CB C 8 32.167 32.167 32.546 -0.379 19124
622 1 6 . 1 1 8 8 MET H H 8 8.120 8.120 7.648 0.472 19124
623 1 6 . 1 1 9 9 CYS N N 9 114.907 114.907 116.177 -1.270 19124
624 1 6 . 1 1 9 9 CYS HA H 9 5.170 5.170 4.497 0.673 19124
625 1 6 . 1 1 9 9 CYS CA C 9 53.529 53.529 58.504 -4.975 19124
626 1 6 . 1 1 9 9 CYS CB C 9 37.987 37.987 25.255 12.732 19124
627 1 6 . 1 1 9 9 CYS H H 9 8.136 8.136 8.261 -0.125 19124
628 1 6 . 1 1 10 10 GLN N N 10 120.125 120.125 122.139 -2.014 19124
629 1 6 . 1 1 10 10 GLN HA H 10 4.117 4.117 3.985 0.132 19124
630 1 6 . 1 1 10 10 GLN CA C 10 57.534 57.534 58.021 -0.487 19124
631 1 6 . 1 1 10 10 GLN CB C 10 27.501 27.501 28.041 -0.540 19124
632 1 6 . 1 1 10 10 GLN H H 10 7.736 7.736 7.823 -0.087 19124
633 1 6 . 1 1 11 11 ARG N N 11 114.823 114.823 117.441 -2.618 19124
634 1 6 . 1 1 11 11 ARG HA H 11 4.125 4.125 3.968 0.157 19124
635 1 6 . 1 1 11 11 ARG CA C 11 58.646 58.646 57.662 0.984 19124
636 1 6 . 1 1 11 11 ARG CB C 11 28.634 28.634 29.756 -1.122 19124
637 1 6 . 1 1 11 11 ARG H H 11 7.679 7.679 7.821 -0.142 19124
638 1 6 . 1 1 12 12 TYR N N 12 119.718 119.718 119.373 0.345 19124
639 1 6 . 1 1 12 12 TYR HA H 12 4.574 4.574 4.569 0.005 19124
640 1 6 . 1 1 12 12 TYR CA C 12 57.663 57.663 56.549 1.114 19124
641 1 6 . 1 1 12 12 TYR CB C 12 37.055 37.055 37.043 0.012 19124
642 1 6 . 1 1 12 12 TYR H H 12 7.405 7.405 7.278 0.127 19124
643 1 6 . 1 1 13 13 HIS CB C 13 28.878 28.878 30.099 -1.221 19124
644 1 6 . 1 1 14 14 ASP N N 14 121.456 121.456 119.070 2.386 19124
645 1 6 . 1 1 14 14 ASP HA H 14 4.770 4.770 4.957 -0.187 19124
646 1 6 . 1 1 14 14 ASP CB C 14 42.593 42.593 44.083 -1.490 19124
647 1 6 . 1 1 14 14 ASP H H 14 8.501 8.501 7.995 0.506 19124
648 1 6 . 1 1 15 15 ARG N N 15 126.394 126.394 124.049 2.345 19124
649 1 6 . 1 1 15 15 ARG HA H 15 4.014 4.014 3.938 0.076 19124
650 1 6 . 1 1 15 15 ARG CA C 15 59.230 59.230 59.066 0.163 19124
651 1 6 . 1 1 15 15 ARG CB C 15 29.636 29.636 30.009 -0.373 19124
652 1 6 . 1 1 15 15 ARG H H 15 8.975 8.975 8.787 0.188 19124
653 1 6 . 1 1 16 16 ARG N N 16 120.362 120.362 119.562 0.800 19124
654 1 6 . 1 1 16 16 ARG HA H 16 4.102 4.102 4.116 -0.014 19124
655 1 6 . 1 1 16 16 ARG CA C 16 59.020 59.020 59.183 -0.163 19124
656 1 6 . 1 1 16 16 ARG CB C 16 28.892 28.892 29.548 -0.656 19124
657 1 6 . 1 1 16 16 ARG H H 16 8.436 8.436 8.495 -0.059 19124
658 1 6 . 1 1 17 17 GLU N N 17 120.565 120.565 118.923 1.642 19124
659 1 6 . 1 1 17 17 GLU HA H 17 3.912 3.912 3.995 -0.083 19124
660 1 6 . 1 1 17 17 GLU CA C 17 58.624 58.624 58.743 -0.119 19124
661 1 6 . 1 1 17 17 GLU CB C 17 29.234 29.234 28.643 0.591 19124
662 1 6 . 1 1 17 17 GLU H H 17 8.245 8.245 8.501 -0.256 19124
663 1 6 . 1 1 18 18 LYS N N 18 121.316 121.316 119.775 1.541 19124
664 1 6 . 1 1 18 18 LYS HA H 18 3.896 3.896 3.969 -0.073 19124
665 1 6 . 1 1 18 18 LYS CA C 18 60.212 60.212 58.871 1.341 19124
666 1 6 . 1 1 18 18 LYS CB C 18 31.447 31.447 32.142 -0.695 19124
667 1 6 . 1 1 18 18 LYS H H 18 8.768 8.768 7.949 0.819 19124
668 1 6 . 1 1 19 19 LYS N N 19 119.130 119.130 119.754 -0.624 19124
669 1 6 . 1 1 19 19 LYS HA H 19 4.033 4.033 3.925 0.108 19124
670 1 6 . 1 1 19 19 LYS CB C 19 31.579 31.579 31.568 0.011 19124
671 1 6 . 1 1 19 19 LYS H H 19 8.070 8.070 7.718 0.352 19124
672 1 6 . 1 1 20 20 GLN N N 20 118.825 118.825 118.317 0.508 19124
673 1 6 . 1 1 20 20 GLN HA H 20 4.078 4.078 4.043 0.035 19124
674 1 6 . 1 1 20 20 GLN CA C 20 58.100 58.100 58.680 -0.580 19124
675 1 6 . 1 1 20 20 GLN CB C 20 27.577 27.577 27.835 -0.258 19124
676 1 6 . 1 1 20 20 GLN H H 20 7.893 7.893 8.215 -0.322 19124
677 1 6 . 1 1 21 21 CYS N N 21 120.856 120.856 120.104 0.752 19124
678 1 6 . 1 1 21 21 CYS HA H 21 4.232 4.232 4.142 0.090 19124
679 1 6 . 1 1 21 21 CYS CA C 21 59.017 59.017 62.202 -3.185 19124
680 1 6 . 1 1 21 21 CYS CB C 21 36.741 36.741 26.165 10.576 19124
681 1 6 . 1 1 21 21 CYS H H 21 7.992 7.992 7.408 0.584 19124
682 1 6 . 1 1 22 22 MET N N 22 121.200 121.200 119.502 1.698 19124
683 1 6 . 1 1 22 22 MET HA H 22 4.290 4.290 4.069 0.221 19124
684 1 6 . 1 1 22 22 MET CA C 22 56.986 56.986 58.439 -1.453 19124
685 1 6 . 1 1 22 22 MET CB C 22 30.725 30.725 31.830 -1.105 19124
686 1 6 . 1 1 22 22 MET H H 22 8.673 8.673 8.281 0.392 19124
687 1 6 . 1 1 23 23 LYS N N 23 120.853 120.853 117.178 3.675 19124
688 1 6 . 1 1 23 23 LYS HA H 23 4.190 4.190 4.142 0.048 19124
689 1 6 . 1 1 23 23 LYS CA C 23 58.745 58.745 58.980 -0.235 19124
690 1 6 . 1 1 23 23 LYS CB C 23 31.720 31.720 32.465 -0.745 19124
691 1 6 . 1 1 23 23 LYS H H 23 8.128 8.128 8.119 0.009 19124
692 1 6 . 1 1 24 24 GLY N N 24 104.975 104.975 107.368 -2.393 19124
693 1 6 . 1 1 24 24 GLY CA C 24 45.441 45.441 46.602 -1.161 19124
694 1 6 . 1 1 24 24 GLY H H 24 7.895 7.895 7.997 -0.102 19124
695 1 6 . 1 1 25 25 CYS N N 25 119.579 119.579 119.131 0.448 19124
696 1 6 . 1 1 25 25 CYS HA H 25 4.488 4.488 4.544 -0.056 19124
697 1 6 . 1 1 25 25 CYS CA C 25 56.480 56.480 58.081 -1.601 19124
698 1 6 . 1 1 25 25 CYS CB C 25 40.435 40.435 25.404 15.031 19124
699 1 6 . 1 1 25 25 CYS H H 25 7.862 7.862 7.612 0.250 19124
700 1 6 . 1 1 26 26 ARG N N 26 121.480 121.480 119.968 1.512 19124
701 1 6 . 1 1 26 26 ARG HA H 26 4.290 4.290 4.323 -0.033 19124
702 1 6 . 1 1 26 26 ARG CA C 26 56.637 56.637 56.794 -0.157 19124
703 1 6 . 1 1 26 26 ARG CB C 26 30.129 30.129 30.243 -0.114 19124
704 1 6 . 1 1 26 26 ARG H H 26 8.298 8.298 7.675 0.623 19124
705 1 6 . 1 1 27 27 TYR N N 27 119.050 119.050 118.598 0.452 19124
706 1 6 . 1 1 27 27 TYR HA H 27 4.749 4.749 4.425 0.324 19124
707 1 6 . 1 1 27 27 TYR CB C 27 38.326 38.326 38.837 -0.510 19124
708 1 6 . 1 1 27 27 TYR H H 27 8.016 8.016 7.789 0.227 19124
709 1 7 . 1 1 2 2 ASP HA H 2 4.756 4.756 4.880 -0.124 19124
710 1 7 . 1 1 2 2 ASP CB C 2 40.936 40.936 41.824 -0.888 19124
711 1 7 . 1 1 3 3 ASP N N 3 123.145 123.145 119.546 3.599 19124
712 1 7 . 1 1 3 3 ASP HA H 3 4.726 4.726 4.709 0.017 19124
713 1 7 . 1 1 3 3 ASP CA C 3 53.812 53.812 54.291 -0.479 19124
714 1 7 . 1 1 3 3 ASP CB C 3 40.848 40.848 42.021 -1.173 19124
715 1 7 . 1 1 3 3 ASP H H 3 8.502 8.502 8.105 0.397 19124
716 1 7 . 1 1 4 4 ARG N N 4 121.446 121.446 120.425 1.021 19124
717 1 7 . 1 1 4 4 ARG HA H 4 4.043 4.043 4.122 -0.079 19124
718 1 7 . 1 1 4 4 ARG CA C 4 58.945 58.945 58.799 0.146 19124
719 1 7 . 1 1 4 4 ARG CB C 4 29.658 29.658 29.329 0.329 19124
720 1 7 . 1 1 4 4 ARG H H 4 8.524 8.524 8.428 0.096 19124
721 1 7 . 1 1 5 5 CYS N N 5 118.368 118.368 119.760 -1.392 19124
722 1 7 . 1 1 5 5 CYS HA H 5 4.675 4.675 4.255 0.420 19124
723 1 7 . 1 1 5 5 CYS CA C 5 56.737 56.737 62.642 -5.905 19124
724 1 7 . 1 1 5 5 CYS CB C 5 36.976 36.976 25.891 11.085 19124
725 1 7 . 1 1 5 5 CYS H H 5 8.465 8.465 8.450 0.015 19124
726 1 7 . 1 1 6 6 GLU N N 6 121.562 121.562 119.661 1.901 19124
727 1 7 . 1 1 6 6 GLU HA H 6 4.009 4.009 3.845 0.164 19124
728 1 7 . 1 1 6 6 GLU CA C 6 59.515 59.515 59.808 -0.293 19124
729 1 7 . 1 1 6 6 GLU CB C 6 28.445 28.445 29.211 -0.766 19124
730 1 7 . 1 1 6 6 GLU H H 6 8.501 8.501 8.434 0.067 19124
731 1 7 . 1 1 7 7 ARG N N 7 117.167 117.167 118.247 -1.080 19124
732 1 7 . 1 1 7 7 ARG HA H 7 4.131 4.131 4.040 0.091 19124
733 1 7 . 1 1 7 7 ARG CA C 7 56.178 56.178 58.713 -2.535 19124
734 1 7 . 1 1 7 7 ARG CB C 7 29.463 29.463 29.998 -0.535 19124
735 1 7 . 1 1 7 7 ARG H H 7 8.073 8.073 7.844 0.229 19124
736 1 7 . 1 1 8 8 MET N N 8 118.916 118.916 118.358 0.558 19124
737 1 7 . 1 1 8 8 MET HA H 8 4.325 4.325 4.147 0.178 19124
738 1 7 . 1 1 8 8 MET CA C 8 57.991 57.991 59.143 -1.152 19124
739 1 7 . 1 1 8 8 MET CB C 8 32.167 32.167 32.659 -0.492 19124
740 1 7 . 1 1 8 8 MET H H 8 8.120 8.120 7.864 0.256 19124
741 1 7 . 1 1 9 9 CYS N N 9 114.907 114.907 117.426 -2.519 19124
742 1 7 . 1 1 9 9 CYS HA H 9 5.170 5.170 4.565 0.605 19124
743 1 7 . 1 1 9 9 CYS CA C 9 53.529 53.529 60.775 -7.246 19124
744 1 7 . 1 1 9 9 CYS CB C 9 37.987 37.987 25.115 12.872 19124
745 1 7 . 1 1 9 9 CYS H H 9 8.136 8.136 8.576 -0.440 19124
746 1 7 . 1 1 10 10 GLN N N 10 120.125 120.125 120.639 -0.514 19124
747 1 7 . 1 1 10 10 GLN HA H 10 4.117 4.117 4.023 0.094 19124
748 1 7 . 1 1 10 10 GLN CA C 10 57.534 57.534 58.445 -0.911 19124
749 1 7 . 1 1 10 10 GLN CB C 10 27.501 27.501 28.257 -0.756 19124
750 1 7 . 1 1 10 10 GLN H H 10 7.736 7.736 8.000 -0.264 19124
751 1 7 . 1 1 11 11 ARG N N 11 114.823 114.823 117.585 -2.762 19124
752 1 7 . 1 1 11 11 ARG HA H 11 4.125 4.125 4.014 0.111 19124
753 1 7 . 1 1 11 11 ARG CA C 11 58.646 58.646 57.727 0.919 19124
754 1 7 . 1 1 11 11 ARG CB C 11 28.634 28.634 29.840 -1.206 19124
755 1 7 . 1 1 11 11 ARG H H 11 7.679 7.679 7.398 0.281 19124
756 1 7 . 1 1 12 12 TYR N N 12 119.718 119.718 119.134 0.584 19124
757 1 7 . 1 1 12 12 TYR HA H 12 4.574 4.574 4.656 -0.082 19124
758 1 7 . 1 1 12 12 TYR CA C 12 57.663 57.663 55.605 2.058 19124
759 1 7 . 1 1 12 12 TYR CB C 12 37.055 37.055 36.870 0.185 19124
760 1 7 . 1 1 12 12 TYR H H 12 7.405 7.405 7.634 -0.229 19124
761 1 7 . 1 1 13 13 HIS CB C 13 28.878 28.878 28.325 0.553 19124
762 1 7 . 1 1 14 14 ASP N N 14 121.456 121.456 120.977 0.479 19124
763 1 7 . 1 1 14 14 ASP HA H 14 4.770 4.770 4.739 0.031 19124
764 1 7 . 1 1 14 14 ASP CB C 14 42.593 42.593 43.311 -0.718 19124
765 1 7 . 1 1 14 14 ASP H H 14 8.501 8.501 8.139 0.362 19124
766 1 7 . 1 1 15 15 ARG N N 15 126.394 126.394 124.592 1.802 19124
767 1 7 . 1 1 15 15 ARG HA H 15 4.014 4.014 3.961 0.053 19124
768 1 7 . 1 1 15 15 ARG CA C 15 59.230 59.230 59.084 0.146 19124
769 1 7 . 1 1 15 15 ARG CB C 15 29.636 29.636 30.304 -0.668 19124
770 1 7 . 1 1 15 15 ARG H H 15 8.975 8.975 8.798 0.177 19124
771 1 7 . 1 1 16 16 ARG N N 16 120.362 120.362 119.747 0.615 19124
772 1 7 . 1 1 16 16 ARG HA H 16 4.102 4.102 4.105 -0.003 19124
773 1 7 . 1 1 16 16 ARG CA C 16 59.020 59.020 59.260 -0.240 19124
774 1 7 . 1 1 16 16 ARG CB C 16 28.892 28.892 29.565 -0.673 19124
775 1 7 . 1 1 16 16 ARG H H 16 8.436 8.436 8.540 -0.104 19124
776 1 7 . 1 1 17 17 GLU N N 17 120.565 120.565 119.368 1.197 19124
777 1 7 . 1 1 17 17 GLU HA H 17 3.912 3.912 3.958 -0.046 19124
778 1 7 . 1 1 17 17 GLU CA C 17 58.624 58.624 59.016 -0.392 19124
779 1 7 . 1 1 17 17 GLU CB C 17 29.234 29.234 28.841 0.393 19124
780 1 7 . 1 1 17 17 GLU H H 17 8.245 8.245 8.519 -0.274 19124
781 1 7 . 1 1 18 18 LYS N N 18 121.316 121.316 119.638 1.678 19124
782 1 7 . 1 1 18 18 LYS HA H 18 3.896 3.896 4.005 -0.109 19124
783 1 7 . 1 1 18 18 LYS CA C 18 60.212 60.212 59.459 0.753 19124
784 1 7 . 1 1 18 18 LYS CB C 18 31.447 31.447 32.278 -0.831 19124
785 1 7 . 1 1 18 18 LYS H H 18 8.768 8.768 7.866 0.902 19124
786 1 7 . 1 1 19 19 LYS N N 19 119.130 119.130 119.128 0.002 19124
787 1 7 . 1 1 19 19 LYS HA H 19 4.033 4.033 3.829 0.204 19124
788 1 7 . 1 1 19 19 LYS CB C 19 31.579 31.579 31.974 -0.395 19124
789 1 7 . 1 1 19 19 LYS H H 19 8.070 8.070 7.742 0.328 19124
790 1 7 . 1 1 20 20 GLN N N 20 118.825 118.825 118.220 0.605 19124
791 1 7 . 1 1 20 20 GLN HA H 20 4.078 4.078 4.036 0.042 19124
792 1 7 . 1 1 20 20 GLN CA C 20 58.100 58.100 58.782 -0.682 19124
793 1 7 . 1 1 20 20 GLN CB C 20 27.577 27.577 28.268 -0.691 19124
794 1 7 . 1 1 20 20 GLN H H 20 7.893 7.893 8.159 -0.266 19124
795 1 7 . 1 1 21 21 CYS N N 21 120.856 120.856 118.987 1.869 19124
796 1 7 . 1 1 21 21 CYS HA H 21 4.232 4.232 4.097 0.135 19124
797 1 7 . 1 1 21 21 CYS CA C 21 59.017 59.017 62.348 -3.331 19124
798 1 7 . 1 1 21 21 CYS CB C 21 36.741 36.741 26.325 10.416 19124
799 1 7 . 1 1 21 21 CYS H H 21 7.992 7.992 7.513 0.479 19124
800 1 7 . 1 1 22 22 MET N N 22 121.200 121.200 119.259 1.941 19124
801 1 7 . 1 1 22 22 MET HA H 22 4.290 4.290 4.056 0.234 19124
802 1 7 . 1 1 22 22 MET CA C 22 56.986 56.986 58.337 -1.351 19124
803 1 7 . 1 1 22 22 MET CB C 22 30.725 30.725 31.700 -0.975 19124
804 1 7 . 1 1 22 22 MET H H 22 8.673 8.673 8.612 0.061 19124
805 1 7 . 1 1 23 23 LYS N N 23 120.853 120.853 118.124 2.729 19124
806 1 7 . 1 1 23 23 LYS HA H 23 4.190 4.190 4.125 0.065 19124
807 1 7 . 1 1 23 23 LYS CA C 23 58.745 58.745 59.121 -0.376 19124
808 1 7 . 1 1 23 23 LYS CB C 23 31.720 31.720 32.224 -0.504 19124
809 1 7 . 1 1 23 23 LYS H H 23 8.128 8.128 8.368 -0.240 19124
810 1 7 . 1 1 24 24 GLY N N 24 104.975 104.975 107.633 -2.658 19124
811 1 7 . 1 1 24 24 GLY CA C 24 45.441 45.441 46.945 -1.504 19124
812 1 7 . 1 1 24 24 GLY H H 24 7.895 7.895 7.969 -0.074 19124
813 1 7 . 1 1 25 25 CYS N N 25 119.579 119.579 120.163 -0.584 19124
814 1 7 . 1 1 25 25 CYS HA H 25 4.488 4.488 4.792 -0.304 19124
815 1 7 . 1 1 25 25 CYS CA C 25 56.480 56.480 57.843 -1.363 19124
816 1 7 . 1 1 25 25 CYS CB C 25 40.435 40.435 25.582 14.853 19124
817 1 7 . 1 1 25 25 CYS H H 25 7.862 7.862 7.815 0.047 19124
818 1 7 . 1 1 26 26 ARG N N 26 121.480 121.480 120.896 0.584 19124
819 1 7 . 1 1 26 26 ARG HA H 26 4.290 4.290 4.068 0.222 19124
820 1 7 . 1 1 26 26 ARG CA C 26 56.637 56.637 57.185 -0.548 19124
821 1 7 . 1 1 26 26 ARG CB C 26 30.129 30.129 30.123 0.005 19124
822 1 7 . 1 1 26 26 ARG H H 26 8.298 8.298 7.465 0.834 19124
823 1 7 . 1 1 27 27 TYR N N 27 119.050 119.050 116.929 2.121 19124
824 1 7 . 1 1 27 27 TYR HA H 27 4.749 4.749 4.639 0.110 19124
825 1 7 . 1 1 27 27 TYR CB C 27 38.326 38.326 38.980 -0.654 19124
826 1 7 . 1 1 27 27 TYR H H 27 8.016 8.016 7.473 0.543 19124
827 1 8 . 1 1 2 2 ASP HA H 2 4.756 4.756 4.645 0.111 19124
828 1 8 . 1 1 2 2 ASP CB C 2 40.936 40.936 40.423 0.513 19124
829 1 8 . 1 1 3 3 ASP N N 3 123.145 123.145 123.420 -0.275 19124
830 1 8 . 1 1 3 3 ASP HA H 3 4.726 4.726 4.737 -0.011 19124
831 1 8 . 1 1 3 3 ASP CA C 3 53.812 53.812 52.645 1.167 19124
832 1 8 . 1 1 3 3 ASP CB C 3 40.848 40.848 39.369 1.479 19124
833 1 8 . 1 1 3 3 ASP H H 3 8.502 8.502 8.109 0.393 19124
834 1 8 . 1 1 4 4 ARG N N 4 121.446 121.446 120.396 1.050 19124
835 1 8 . 1 1 4 4 ARG HA H 4 4.043 4.043 4.072 -0.029 19124
836 1 8 . 1 1 4 4 ARG CA C 4 58.945 58.945 58.550 0.396 19124
837 1 8 . 1 1 4 4 ARG CB C 4 29.658 29.658 29.302 0.356 19124
838 1 8 . 1 1 4 4 ARG H H 4 8.524 8.524 7.946 0.578 19124
839 1 8 . 1 1 5 5 CYS N N 5 118.368 118.368 117.879 0.489 19124
840 1 8 . 1 1 5 5 CYS HA H 5 4.675 4.675 4.158 0.517 19124
841 1 8 . 1 1 5 5 CYS CA C 5 56.737 56.737 62.971 -6.234 19124
842 1 8 . 1 1 5 5 CYS CB C 5 36.976 36.976 26.074 10.902 19124
843 1 8 . 1 1 5 5 CYS H H 5 8.465 8.465 8.730 -0.265 19124
844 1 8 . 1 1 6 6 GLU N N 6 121.562 121.562 118.872 2.690 19124
845 1 8 . 1 1 6 6 GLU HA H 6 4.009 4.009 3.918 0.091 19124
846 1 8 . 1 1 6 6 GLU CA C 6 59.515 59.515 59.789 -0.274 19124
847 1 8 . 1 1 6 6 GLU CB C 6 28.445 28.445 29.178 -0.733 19124
848 1 8 . 1 1 6 6 GLU H H 6 8.501 8.501 8.542 -0.041 19124
849 1 8 . 1 1 7 7 ARG N N 7 117.167 117.167 119.195 -2.028 19124
850 1 8 . 1 1 7 7 ARG HA H 7 4.131 4.131 4.046 0.085 19124
851 1 8 . 1 1 7 7 ARG CA C 7 56.178 56.178 58.724 -2.546 19124
852 1 8 . 1 1 7 7 ARG CB C 7 29.463 29.463 30.102 -0.638 19124
853 1 8 . 1 1 7 7 ARG H H 7 8.073 8.073 7.917 0.156 19124
854 1 8 . 1 1 8 8 MET N N 8 118.916 118.916 118.956 -0.040 19124
855 1 8 . 1 1 8 8 MET HA H 8 4.325 4.325 4.236 0.089 19124
856 1 8 . 1 1 8 8 MET CA C 8 57.991 57.991 58.456 -0.465 19124
857 1 8 . 1 1 8 8 MET CB C 8 32.167 32.167 32.404 -0.237 19124
858 1 8 . 1 1 8 8 MET H H 8 8.120 8.120 8.129 -0.009 19124
859 1 8 . 1 1 9 9 CYS N N 9 114.907 114.907 115.582 -0.675 19124
860 1 8 . 1 1 9 9 CYS HA H 9 5.170 5.170 4.201 0.969 19124
861 1 8 . 1 1 9 9 CYS CA C 9 53.529 53.529 59.631 -6.102 19124
862 1 8 . 1 1 9 9 CYS CB C 9 37.987 37.987 25.134 12.853 19124
863 1 8 . 1 1 9 9 CYS H H 9 8.136 8.136 8.507 -0.371 19124
864 1 8 . 1 1 10 10 GLN N N 10 120.125 120.125 121.524 -1.399 19124
865 1 8 . 1 1 10 10 GLN HA H 10 4.117 4.117 3.783 0.334 19124
866 1 8 . 1 1 10 10 GLN CA C 10 57.534 57.534 58.028 -0.494 19124
867 1 8 . 1 1 10 10 GLN CB C 10 27.501 27.501 28.252 -0.751 19124
868 1 8 . 1 1 10 10 GLN H H 10 7.736 7.736 7.798 -0.062 19124
869 1 8 . 1 1 11 11 ARG N N 11 114.823 114.823 117.234 -2.411 19124
870 1 8 . 1 1 11 11 ARG HA H 11 4.125 4.125 3.934 0.191 19124
871 1 8 . 1 1 11 11 ARG CA C 11 58.646 58.646 58.302 0.344 19124
872 1 8 . 1 1 11 11 ARG CB C 11 28.634 28.634 29.581 -0.947 19124
873 1 8 . 1 1 11 11 ARG H H 11 7.679 7.679 7.291 0.388 19124
874 1 8 . 1 1 12 12 TYR N N 12 119.718 119.718 116.891 2.827 19124
875 1 8 . 1 1 12 12 TYR HA H 12 4.574 4.574 4.381 0.193 19124
876 1 8 . 1 1 12 12 TYR CA C 12 57.663 57.663 59.215 -1.552 19124
877 1 8 . 1 1 12 12 TYR CB C 12 37.055 37.055 38.659 -1.604 19124
878 1 8 . 1 1 12 12 TYR H H 12 7.405 7.405 7.127 0.278 19124
879 1 8 . 1 1 13 13 HIS CB C 13 28.878 28.878 28.165 0.713 19124
880 1 8 . 1 1 14 14 ASP N N 14 121.456 121.456 118.435 3.021 19124
881 1 8 . 1 1 14 14 ASP HA H 14 4.770 4.770 5.040 -0.270 19124
882 1 8 . 1 1 14 14 ASP CB C 14 42.593 42.593 43.175 -0.582 19124
883 1 8 . 1 1 14 14 ASP H H 14 8.501 8.501 8.182 0.319 19124
884 1 8 . 1 1 15 15 ARG N N 15 126.394 126.394 124.996 1.398 19124
885 1 8 . 1 1 15 15 ARG HA H 15 4.014 4.014 3.963 0.051 19124
886 1 8 . 1 1 15 15 ARG CA C 15 59.230 59.230 59.247 -0.017 19124
887 1 8 . 1 1 15 15 ARG CB C 15 29.636 29.636 30.149 -0.513 19124
888 1 8 . 1 1 15 15 ARG H H 15 8.975 8.975 8.848 0.127 19124
889 1 8 . 1 1 16 16 ARG N N 16 120.362 120.362 119.820 0.542 19124
890 1 8 . 1 1 16 16 ARG HA H 16 4.102 4.102 4.117 -0.015 19124
891 1 8 . 1 1 16 16 ARG CA C 16 59.020 59.020 59.354 -0.334 19124
892 1 8 . 1 1 16 16 ARG CB C 16 28.892 28.892 29.547 -0.655 19124
893 1 8 . 1 1 16 16 ARG H H 16 8.436 8.436 8.602 -0.166 19124
894 1 8 . 1 1 17 17 GLU N N 17 120.565 120.565 118.690 1.875 19124
895 1 8 . 1 1 17 17 GLU HA H 17 3.912 3.912 3.938 -0.026 19124
896 1 8 . 1 1 17 17 GLU CA C 17 58.624 58.624 58.833 -0.209 19124
897 1 8 . 1 1 17 17 GLU CB C 17 29.234 29.234 28.629 0.605 19124
898 1 8 . 1 1 17 17 GLU H H 17 8.245 8.245 8.446 -0.201 19124
899 1 8 . 1 1 18 18 LYS N N 18 121.316 121.316 119.738 1.578 19124
900 1 8 . 1 1 18 18 LYS HA H 18 3.896 3.896 4.014 -0.118 19124
901 1 8 . 1 1 18 18 LYS CA C 18 60.212 60.212 59.195 1.017 19124
902 1 8 . 1 1 18 18 LYS CB C 18 31.447 31.447 32.211 -0.764 19124
903 1 8 . 1 1 18 18 LYS H H 18 8.768 8.768 8.132 0.636 19124
904 1 8 . 1 1 19 19 LYS N N 19 119.130 119.130 119.683 -0.553 19124
905 1 8 . 1 1 19 19 LYS HA H 19 4.033 4.033 3.932 0.101 19124
906 1 8 . 1 1 19 19 LYS CB C 19 31.579 31.579 31.766 -0.187 19124
907 1 8 . 1 1 19 19 LYS H H 19 8.070 8.070 7.623 0.447 19124
908 1 8 . 1 1 20 20 GLN N N 20 118.825 118.825 118.154 0.671 19124
909 1 8 . 1 1 20 20 GLN HA H 20 4.078 4.078 4.048 0.030 19124
910 1 8 . 1 1 20 20 GLN CA C 20 58.100 58.100 58.580 -0.480 19124
911 1 8 . 1 1 20 20 GLN CB C 20 27.577 27.577 28.071 -0.494 19124
912 1 8 . 1 1 20 20 GLN H H 20 7.893 7.893 8.251 -0.358 19124
913 1 8 . 1 1 21 21 CYS N N 21 120.856 120.856 120.369 0.487 19124
914 1 8 . 1 1 21 21 CYS HA H 21 4.232 4.232 4.163 0.069 19124
915 1 8 . 1 1 21 21 CYS CA C 21 59.017 59.017 62.410 -3.393 19124
916 1 8 . 1 1 21 21 CYS CB C 21 36.741 36.741 26.191 10.550 19124
917 1 8 . 1 1 21 21 CYS H H 21 7.992 7.992 7.540 0.452 19124
918 1 8 . 1 1 22 22 MET N N 22 121.200 121.200 119.849 1.351 19124
919 1 8 . 1 1 22 22 MET HA H 22 4.290 4.290 4.098 0.192 19124
920 1 8 . 1 1 22 22 MET CA C 22 56.986 56.986 58.456 -1.470 19124
921 1 8 . 1 1 22 22 MET CB C 22 30.725 30.725 31.798 -1.073 19124
922 1 8 . 1 1 22 22 MET H H 22 8.673 8.673 8.402 0.271 19124
923 1 8 . 1 1 23 23 LYS N N 23 120.853 120.853 118.013 2.840 19124
924 1 8 . 1 1 23 23 LYS HA H 23 4.190 4.190 4.160 0.030 19124
925 1 8 . 1 1 23 23 LYS CA C 23 58.745 58.745 59.135 -0.390 19124
926 1 8 . 1 1 23 23 LYS CB C 23 31.720 31.720 32.289 -0.569 19124
927 1 8 . 1 1 23 23 LYS H H 23 8.128 8.128 8.188 -0.060 19124
928 1 8 . 1 1 24 24 GLY N N 24 104.975 104.975 107.520 -2.545 19124
929 1 8 . 1 1 24 24 GLY CA C 24 45.441 45.441 46.910 -1.469 19124
930 1 8 . 1 1 24 24 GLY H H 24 7.895 7.895 8.236 -0.341 19124
931 1 8 . 1 1 25 25 CYS N N 25 119.579 119.579 118.387 1.192 19124
932 1 8 . 1 1 25 25 CYS HA H 25 4.488 4.488 4.488 0.000 19124
933 1 8 . 1 1 25 25 CYS CA C 25 56.480 56.480 58.379 -1.899 19124
934 1 8 . 1 1 25 25 CYS CB C 25 40.435 40.435 25.336 15.099 19124
935 1 8 . 1 1 25 25 CYS H H 25 7.862 7.862 7.907 -0.045 19124
936 1 8 . 1 1 26 26 ARG N N 26 121.480 121.480 119.254 2.226 19124
937 1 8 . 1 1 26 26 ARG HA H 26 4.290 4.290 4.302 -0.012 19124
938 1 8 . 1 1 26 26 ARG CA C 26 56.637 56.637 56.306 0.331 19124
939 1 8 . 1 1 26 26 ARG CB C 26 30.129 30.129 30.286 -0.157 19124
940 1 8 . 1 1 26 26 ARG H H 26 8.298 8.298 7.559 0.739 19124
941 1 8 . 1 1 27 27 TYR N N 27 119.050 119.050 120.647 -1.597 19124
942 1 8 . 1 1 27 27 TYR HA H 27 4.749 4.749 4.497 0.252 19124
943 1 8 . 1 1 27 27 TYR CB C 27 38.326 38.326 36.810 1.516 19124
944 1 8 . 1 1 27 27 TYR H H 27 8.016 8.016 7.686 0.330 19124
945 1 9 . 1 1 2 2 ASP HA H 2 4.756 4.756 4.772 -0.016 19124
946 1 9 . 1 1 2 2 ASP CB C 2 40.936 40.936 42.022 -1.086 19124
947 1 9 . 1 1 3 3 ASP N N 3 123.145 123.145 119.686 3.459 19124
948 1 9 . 1 1 3 3 ASP HA H 3 4.726 4.726 4.435 0.291 19124
949 1 9 . 1 1 3 3 ASP CA C 3 53.812 53.812 55.952 -2.140 19124
950 1 9 . 1 1 3 3 ASP CB C 3 40.848 40.848 40.952 -0.103 19124
951 1 9 . 1 1 3 3 ASP H H 3 8.502 8.502 8.642 -0.140 19124
952 1 9 . 1 1 4 4 ARG N N 4 121.446 121.446 119.643 1.803 19124
953 1 9 . 1 1 4 4 ARG HA H 4 4.043 4.043 4.066 -0.023 19124
954 1 9 . 1 1 4 4 ARG CA C 4 58.945 58.945 59.147 -0.202 19124
955 1 9 . 1 1 4 4 ARG CB C 4 29.658 29.658 29.390 0.268 19124
956 1 9 . 1 1 4 4 ARG H H 4 8.524 8.524 8.061 0.463 19124
957 1 9 . 1 1 5 5 CYS N N 5 118.368 118.368 118.129 0.239 19124
958 1 9 . 1 1 5 5 CYS HA H 5 4.675 4.675 4.479 0.196 19124
959 1 9 . 1 1 5 5 CYS CA C 5 56.737 56.737 61.624 -4.887 19124
960 1 9 . 1 1 5 5 CYS CB C 5 36.976 36.976 25.983 10.992 19124
961 1 9 . 1 1 5 5 CYS H H 5 8.465 8.465 7.956 0.509 19124
962 1 9 . 1 1 6 6 GLU N N 6 121.562 121.562 120.109 1.453 19124
963 1 9 . 1 1 6 6 GLU HA H 6 4.009 4.009 3.939 0.070 19124
964 1 9 . 1 1 6 6 GLU CA C 6 59.515 59.515 59.702 -0.187 19124
965 1 9 . 1 1 6 6 GLU CB C 6 28.445 28.445 29.359 -0.914 19124
966 1 9 . 1 1 6 6 GLU H H 6 8.501 8.501 7.750 0.751 19124
967 1 9 . 1 1 7 7 ARG N N 7 117.167 117.167 119.230 -2.063 19124
968 1 9 . 1 1 7 7 ARG HA H 7 4.131 4.131 4.077 0.054 19124
969 1 9 . 1 1 7 7 ARG CA C 7 56.178 56.178 58.715 -2.537 19124
970 1 9 . 1 1 7 7 ARG CB C 7 29.463 29.463 29.990 -0.527 19124
971 1 9 . 1 1 7 7 ARG H H 7 8.073 8.073 8.028 0.045 19124
972 1 9 . 1 1 8 8 MET N N 8 118.916 118.916 117.333 1.583 19124
973 1 9 . 1 1 8 8 MET HA H 8 4.325 4.325 4.338 -0.013 19124
974 1 9 . 1 1 8 8 MET CA C 8 57.991 57.991 58.582 -0.591 19124
975 1 9 . 1 1 8 8 MET CB C 8 32.167 32.167 32.650 -0.483 19124
976 1 9 . 1 1 8 8 MET H H 8 8.120 8.120 7.711 0.409 19124
977 1 9 . 1 1 9 9 CYS N N 9 114.907 114.907 117.482 -2.575 19124
978 1 9 . 1 1 9 9 CYS HA H 9 5.170 5.170 4.724 0.446 19124
979 1 9 . 1 1 9 9 CYS CA C 9 53.529 53.529 58.493 -4.964 19124
980 1 9 . 1 1 9 9 CYS CB C 9 37.987 37.987 25.380 12.607 19124
981 1 9 . 1 1 9 9 CYS H H 9 8.136 8.136 7.880 0.256 19124
982 1 9 . 1 1 10 10 GLN N N 10 120.125 120.125 122.634 -2.509 19124
983 1 9 . 1 1 10 10 GLN HA H 10 4.117 4.117 4.026 0.091 19124
984 1 9 . 1 1 10 10 GLN CA C 10 57.534 57.534 58.579 -1.045 19124
985 1 9 . 1 1 10 10 GLN CB C 10 27.501 27.501 28.195 -0.695 19124
986 1 9 . 1 1 10 10 GLN H H 10 7.736 7.736 7.859 -0.123 19124
987 1 9 . 1 1 11 11 ARG N N 11 114.823 114.823 117.111 -2.288 19124
988 1 9 . 1 1 11 11 ARG HA H 11 4.125 4.125 4.005 0.120 19124
989 1 9 . 1 1 11 11 ARG CA C 11 58.646 58.646 57.821 0.825 19124
990 1 9 . 1 1 11 11 ARG CB C 11 28.634 28.634 29.805 -1.171 19124
991 1 9 . 1 1 11 11 ARG H H 11 7.679 7.679 7.804 -0.125 19124
992 1 9 . 1 1 12 12 TYR N N 12 119.718 119.718 120.049 -0.331 19124
993 1 9 . 1 1 12 12 TYR HA H 12 4.574 4.574 4.642 -0.068 19124
994 1 9 . 1 1 12 12 TYR CA C 12 57.663 57.663 56.228 1.435 19124
995 1 9 . 1 1 12 12 TYR CB C 12 37.055 37.055 37.455 -0.400 19124
996 1 9 . 1 1 12 12 TYR H H 12 7.405 7.405 7.838 -0.433 19124
997 1 9 . 1 1 13 13 HIS CB C 13 28.878 28.878 28.317 0.561 19124
998 1 9 . 1 1 14 14 ASP N N 14 121.456 121.456 120.105 1.351 19124
999 1 9 . 1 1 14 14 ASP HA H 14 4.770 4.770 4.726 0.044 19124
1000 1 9 . 1 1 14 14 ASP CB C 14 42.593 42.593 42.587 0.006 19124
1001 1 9 . 1 1 14 14 ASP H H 14 8.501 8.501 8.074 0.427 19124
1002 1 9 . 1 1 15 15 ARG N N 15 126.394 126.394 124.760 1.634 19124
1003 1 9 . 1 1 15 15 ARG HA H 15 4.014 4.014 3.998 0.016 19124
1004 1 9 . 1 1 15 15 ARG CA C 15 59.230 59.230 59.069 0.161 19124
1005 1 9 . 1 1 15 15 ARG CB C 15 29.636 29.636 30.238 -0.602 19124
1006 1 9 . 1 1 15 15 ARG H H 15 8.975 8.975 8.767 0.208 19124
1007 1 9 . 1 1 16 16 ARG N N 16 120.362 120.362 119.584 0.778 19124
1008 1 9 . 1 1 16 16 ARG HA H 16 4.102 4.102 4.080 0.022 19124
1009 1 9 . 1 1 16 16 ARG CA C 16 59.020 59.020 59.343 -0.323 19124
1010 1 9 . 1 1 16 16 ARG CB C 16 28.892 28.892 29.439 -0.547 19124
1011 1 9 . 1 1 16 16 ARG H H 16 8.436 8.436 7.969 0.467 19124
1012 1 9 . 1 1 17 17 GLU N N 17 120.565 120.565 118.760 1.805 19124
1013 1 9 . 1 1 17 17 GLU HA H 17 3.912 3.912 3.976 -0.064 19124
1014 1 9 . 1 1 17 17 GLU CA C 17 58.624 58.624 58.767 -0.143 19124
1015 1 9 . 1 1 17 17 GLU CB C 17 29.234 29.234 28.586 0.648 19124
1016 1 9 . 1 1 17 17 GLU H H 17 8.245 8.245 8.539 -0.294 19124
1017 1 9 . 1 1 18 18 LYS N N 18 121.316 121.316 119.985 1.331 19124
1018 1 9 . 1 1 18 18 LYS HA H 18 3.896 3.896 3.927 -0.031 19124
1019 1 9 . 1 1 18 18 LYS CA C 18 60.212 60.212 59.351 0.861 19124
1020 1 9 . 1 1 18 18 LYS CB C 18 31.447 31.447 32.296 -0.849 19124
1021 1 9 . 1 1 18 18 LYS H H 18 8.768 8.768 7.929 0.839 19124
1022 1 9 . 1 1 19 19 LYS N N 19 119.130 119.130 119.498 -0.368 19124
1023 1 9 . 1 1 19 19 LYS HA H 19 4.033 4.033 3.845 0.188 19124
1024 1 9 . 1 1 19 19 LYS CB C 19 31.579 31.579 31.941 -0.362 19124
1025 1 9 . 1 1 19 19 LYS H H 19 8.070 8.070 7.611 0.459 19124
1026 1 9 . 1 1 20 20 GLN N N 20 118.825 118.825 117.955 0.870 19124
1027 1 9 . 1 1 20 20 GLN HA H 20 4.078 4.078 4.022 0.056 19124
1028 1 9 . 1 1 20 20 GLN CA C 20 58.100 58.100 58.725 -0.625 19124
1029 1 9 . 1 1 20 20 GLN CB C 20 27.577 27.577 28.174 -0.597 19124
1030 1 9 . 1 1 20 20 GLN H H 20 7.893 7.893 8.111 -0.218 19124
1031 1 9 . 1 1 21 21 CYS N N 21 120.856 120.856 119.706 1.150 19124
1032 1 9 . 1 1 21 21 CYS HA H 21 4.232 4.232 4.134 0.098 19124
1033 1 9 . 1 1 21 21 CYS CA C 21 59.017 59.017 62.185 -3.168 19124
1034 1 9 . 1 1 21 21 CYS CB C 21 36.741 36.741 26.178 10.563 19124
1035 1 9 . 1 1 21 21 CYS H H 21 7.992 7.992 7.484 0.508 19124
1036 1 9 . 1 1 22 22 MET N N 22 121.200 121.200 119.419 1.781 19124
1037 1 9 . 1 1 22 22 MET HA H 22 4.290 4.290 4.103 0.187 19124
1038 1 9 . 1 1 22 22 MET CA C 22 56.986 56.986 58.448 -1.462 19124
1039 1 9 . 1 1 22 22 MET CB C 22 30.725 30.725 31.817 -1.092 19124
1040 1 9 . 1 1 22 22 MET H H 22 8.673 8.673 8.333 0.340 19124
1041 1 9 . 1 1 23 23 LYS N N 23 120.853 120.853 118.047 2.806 19124
1042 1 9 . 1 1 23 23 LYS HA H 23 4.190 4.190 4.119 0.071 19124
1043 1 9 . 1 1 23 23 LYS CA C 23 58.745 58.745 59.298 -0.553 19124
1044 1 9 . 1 1 23 23 LYS CB C 23 31.720 31.720 32.367 -0.647 19124
1045 1 9 . 1 1 23 23 LYS H H 23 8.128 8.128 8.054 0.074 19124
1046 1 9 . 1 1 24 24 GLY N N 24 104.975 104.975 106.615 -1.640 19124
1047 1 9 . 1 1 24 24 GLY CA C 24 45.441 45.441 46.700 -1.259 19124
1048 1 9 . 1 1 24 24 GLY H H 24 7.895 7.895 8.087 -0.192 19124
1049 1 9 . 1 1 25 25 CYS N N 25 119.579 119.579 118.801 0.778 19124
1050 1 9 . 1 1 25 25 CYS HA H 25 4.488 4.488 4.418 0.070 19124
1051 1 9 . 1 1 25 25 CYS CA C 25 56.480 56.480 58.412 -1.932 19124
1052 1 9 . 1 1 25 25 CYS CB C 25 40.435 40.435 25.600 14.835 19124
1053 1 9 . 1 1 25 25 CYS H H 25 7.862 7.862 7.875 -0.013 19124
1054 1 9 . 1 1 26 26 ARG N N 26 121.480 121.480 119.242 2.238 19124
1055 1 9 . 1 1 26 26 ARG HA H 26 4.290 4.290 4.279 0.011 19124
1056 1 9 . 1 1 26 26 ARG CA C 26 56.637 56.637 57.212 -0.574 19124
1057 1 9 . 1 1 26 26 ARG CB C 26 30.129 30.129 29.966 0.163 19124
1058 1 9 . 1 1 26 26 ARG H H 26 8.298 8.298 7.557 0.741 19124
1059 1 9 . 1 1 27 27 TYR N N 27 119.050 119.050 118.579 0.471 19124
1060 1 9 . 1 1 27 27 TYR HA H 27 4.749 4.749 4.373 0.376 19124
1061 1 9 . 1 1 27 27 TYR CB C 27 38.326 38.326 39.003 -0.677 19124
1062 1 9 . 1 1 27 27 TYR H H 27 8.016 8.016 7.854 0.162 19124
1063 1 10 . 1 1 2 2 ASP HA H 2 4.756 4.756 4.835 -0.079 19124
1064 1 10 . 1 1 2 2 ASP CB C 2 40.936 40.936 41.589 -0.653 19124
1065 1 10 . 1 1 3 3 ASP N N 3 123.145 123.145 119.556 3.589 19124
1066 1 10 . 1 1 3 3 ASP HA H 3 4.726 4.726 4.592 0.134 19124
1067 1 10 . 1 1 3 3 ASP CA C 3 53.812 53.812 53.855 -0.043 19124
1068 1 10 . 1 1 3 3 ASP CB C 3 40.848 40.848 42.026 -1.177 19124
1069 1 10 . 1 1 3 3 ASP H H 3 8.502 8.502 8.283 0.219 19124
1070 1 10 . 1 1 4 4 ARG N N 4 121.446 121.446 121.558 -0.112 19124
1071 1 10 . 1 1 4 4 ARG HA H 4 4.043 4.043 4.226 -0.183 19124
1072 1 10 . 1 1 4 4 ARG CA C 4 58.945 58.945 58.730 0.215 19124
1073 1 10 . 1 1 4 4 ARG CB C 4 29.658 29.658 30.288 -0.630 19124
1074 1 10 . 1 1 4 4 ARG H H 4 8.524 8.524 8.688 -0.164 19124
1075 1 10 . 1 1 5 5 CYS N N 5 118.368 118.368 117.600 0.768 19124
1076 1 10 . 1 1 5 5 CYS HA H 5 4.675 4.675 4.395 0.280 19124
1077 1 10 . 1 1 5 5 CYS CA C 5 56.737 56.737 61.078 -4.341 19124
1078 1 10 . 1 1 5 5 CYS CB C 5 36.976 36.976 26.810 10.166 19124
1079 1 10 . 1 1 5 5 CYS H H 5 8.465 8.465 8.495 -0.030 19124
1080 1 10 . 1 1 6 6 GLU N N 6 121.562 121.562 118.849 2.713 19124
1081 1 10 . 1 1 6 6 GLU HA H 6 4.009 4.009 4.020 -0.011 19124
1082 1 10 . 1 1 6 6 GLU CA C 6 59.515 59.515 59.676 -0.161 19124
1083 1 10 . 1 1 6 6 GLU CB C 6 28.445 28.445 28.966 -0.521 19124
1084 1 10 . 1 1 6 6 GLU H H 6 8.501 8.501 8.381 0.120 19124
1085 1 10 . 1 1 7 7 ARG N N 7 117.167 117.167 119.036 -1.869 19124
1086 1 10 . 1 1 7 7 ARG HA H 7 4.131 4.131 4.106 0.025 19124
1087 1 10 . 1 1 7 7 ARG CA C 7 56.178 56.178 58.765 -2.587 19124
1088 1 10 . 1 1 7 7 ARG CB C 7 29.463 29.463 30.285 -0.822 19124
1089 1 10 . 1 1 7 7 ARG H H 7 8.073 8.073 7.769 0.304 19124
1090 1 10 . 1 1 8 8 MET N N 8 118.916 118.916 117.338 1.578 19124
1091 1 10 . 1 1 8 8 MET HA H 8 4.325 4.325 4.260 0.065 19124
1092 1 10 . 1 1 8 8 MET CA C 8 57.991 57.991 58.789 -0.798 19124
1093 1 10 . 1 1 8 8 MET CB C 8 32.167 32.167 32.720 -0.553 19124
1094 1 10 . 1 1 8 8 MET H H 8 8.120 8.120 7.684 0.436 19124
1095 1 10 . 1 1 9 9 CYS N N 9 114.907 114.907 117.227 -2.320 19124
1096 1 10 . 1 1 9 9 CYS HA H 9 5.170 5.170 4.687 0.483 19124
1097 1 10 . 1 1 9 9 CYS CA C 9 53.529 53.529 58.221 -4.692 19124
1098 1 10 . 1 1 9 9 CYS CB C 9 37.987 37.987 25.120 12.867 19124
1099 1 10 . 1 1 9 9 CYS H H 9 8.136 8.136 8.000 0.136 19124
1100 1 10 . 1 1 10 10 GLN N N 10 120.125 120.125 122.060 -1.935 19124
1101 1 10 . 1 1 10 10 GLN HA H 10 4.117 4.117 4.028 0.089 19124
1102 1 10 . 1 1 10 10 GLN CA C 10 57.534 57.534 58.638 -1.104 19124
1103 1 10 . 1 1 10 10 GLN CB C 10 27.501 27.501 28.547 -1.046 19124
1104 1 10 . 1 1 10 10 GLN H H 10 7.736 7.736 7.683 0.053 19124
1105 1 10 . 1 1 11 11 ARG N N 11 114.823 114.823 116.804 -1.981 19124
1106 1 10 . 1 1 11 11 ARG HA H 11 4.125 4.125 3.999 0.126 19124
1107 1 10 . 1 1 11 11 ARG CA C 11 58.646 58.646 57.741 0.905 19124
1108 1 10 . 1 1 11 11 ARG CB C 11 28.634 28.634 29.688 -1.054 19124
1109 1 10 . 1 1 11 11 ARG H H 11 7.679 7.679 7.961 -0.282 19124
1110 1 10 . 1 1 12 12 TYR N N 12 119.718 119.718 119.817 -0.099 19124
1111 1 10 . 1 1 12 12 TYR HA H 12 4.574 4.574 4.492 0.082 19124
1112 1 10 . 1 1 12 12 TYR CA C 12 57.663 57.663 56.485 1.178 19124
1113 1 10 . 1 1 12 12 TYR CB C 12 37.055 37.055 37.695 -0.640 19124
1114 1 10 . 1 1 12 12 TYR H H 12 7.405 7.405 7.421 -0.016 19124
1115 1 10 . 1 1 13 13 HIS CB C 13 28.878 28.878 29.698 -0.820 19124
1116 1 10 . 1 1 14 14 ASP N N 14 121.456 121.456 119.909 1.547 19124
1117 1 10 . 1 1 14 14 ASP HA H 14 4.770 4.770 4.923 -0.153 19124
1118 1 10 . 1 1 14 14 ASP CB C 14 42.593 42.593 44.046 -1.453 19124
1119 1 10 . 1 1 14 14 ASP H H 14 8.501 8.501 7.833 0.668 19124
1120 1 10 . 1 1 15 15 ARG N N 15 126.394 126.394 124.525 1.869 19124
1121 1 10 . 1 1 15 15 ARG HA H 15 4.014 4.014 3.913 0.101 19124
1122 1 10 . 1 1 15 15 ARG CA C 15 59.230 59.230 59.241 -0.011 19124
1123 1 10 . 1 1 15 15 ARG CB C 15 29.636 29.636 29.952 -0.316 19124
1124 1 10 . 1 1 15 15 ARG H H 15 8.975 8.975 8.774 0.201 19124
1125 1 10 . 1 1 16 16 ARG N N 16 120.362 120.362 119.976 0.386 19124
1126 1 10 . 1 1 16 16 ARG HA H 16 4.102 4.102 4.100 0.002 19124
1127 1 10 . 1 1 16 16 ARG CA C 16 59.020 59.020 59.326 -0.306 19124
1128 1 10 . 1 1 16 16 ARG CB C 16 28.892 28.892 29.534 -0.642 19124
1129 1 10 . 1 1 16 16 ARG H H 16 8.436 8.436 8.585 -0.149 19124
1130 1 10 . 1 1 17 17 GLU N N 17 120.565 120.565 119.500 1.065 19124
1131 1 10 . 1 1 17 17 GLU HA H 17 3.912 3.912 4.094 -0.182 19124
1132 1 10 . 1 1 17 17 GLU CA C 17 58.624 58.624 58.980 -0.356 19124
1133 1 10 . 1 1 17 17 GLU CB C 17 29.234 29.234 28.885 0.349 19124
1134 1 10 . 1 1 17 17 GLU H H 17 8.245 8.245 8.519 -0.274 19124
1135 1 10 . 1 1 18 18 LYS N N 18 121.316 121.316 119.602 1.714 19124
1136 1 10 . 1 1 18 18 LYS HA H 18 3.896 3.896 3.915 -0.019 19124
1137 1 10 . 1 1 18 18 LYS CA C 18 60.212 60.212 59.339 0.873 19124
1138 1 10 . 1 1 18 18 LYS CB C 18 31.447 31.447 32.216 -0.769 19124
1139 1 10 . 1 1 18 18 LYS H H 18 8.768 8.768 7.854 0.914 19124
1140 1 10 . 1 1 19 19 LYS N N 19 119.130 119.130 119.080 0.050 19124
1141 1 10 . 1 1 19 19 LYS HA H 19 4.033 4.033 3.885 0.148 19124
1142 1 10 . 1 1 19 19 LYS CB C 19 31.579 31.579 31.756 -0.177 19124
1143 1 10 . 1 1 19 19 LYS H H 19 8.070 8.070 7.740 0.330 19124
1144 1 10 . 1 1 20 20 GLN N N 20 118.825 118.825 118.355 0.470 19124
1145 1 10 . 1 1 20 20 GLN HA H 20 4.078 4.078 3.997 0.081 19124
1146 1 10 . 1 1 20 20 GLN CA C 20 58.100 58.100 58.604 -0.504 19124
1147 1 10 . 1 1 20 20 GLN CB C 20 27.577 27.577 28.282 -0.705 19124
1148 1 10 . 1 1 20 20 GLN H H 20 7.893 7.893 8.312 -0.419 19124
1149 1 10 . 1 1 21 21 CYS N N 21 120.856 120.856 119.412 1.444 19124
1150 1 10 . 1 1 21 21 CYS HA H 21 4.232 4.232 4.117 0.115 19124
1151 1 10 . 1 1 21 21 CYS CA C 21 59.017 59.017 62.505 -3.488 19124
1152 1 10 . 1 1 21 21 CYS CB C 21 36.741 36.741 26.171 10.570 19124
1153 1 10 . 1 1 21 21 CYS H H 21 7.992 7.992 7.471 0.521 19124
1154 1 10 . 1 1 22 22 MET N N 22 121.200 121.200 119.718 1.482 19124
1155 1 10 . 1 1 22 22 MET HA H 22 4.290 4.290 4.043 0.247 19124
1156 1 10 . 1 1 22 22 MET CA C 22 56.986 56.986 58.566 -1.580 19124
1157 1 10 . 1 1 22 22 MET CB C 22 30.725 30.725 31.848 -1.123 19124
1158 1 10 . 1 1 22 22 MET H H 22 8.673 8.673 8.421 0.252 19124
1159 1 10 . 1 1 23 23 LYS N N 23 120.853 120.853 118.354 2.499 19124
1160 1 10 . 1 1 23 23 LYS HA H 23 4.190 4.190 4.067 0.123 19124
1161 1 10 . 1 1 23 23 LYS CA C 23 58.745 58.745 59.264 -0.519 19124
1162 1 10 . 1 1 23 23 LYS CB C 23 31.720 31.720 32.335 -0.615 19124
1163 1 10 . 1 1 23 23 LYS H H 23 8.128 8.128 8.128 -0.000 19124
1164 1 10 . 1 1 24 24 GLY N N 24 104.975 104.975 106.741 -1.766 19124
1165 1 10 . 1 1 24 24 GLY CA C 24 45.441 45.441 46.533 -1.092 19124
1166 1 10 . 1 1 24 24 GLY H H 24 7.895 7.895 7.986 -0.091 19124
1167 1 10 . 1 1 25 25 CYS N N 25 119.579 119.579 118.578 1.001 19124
1168 1 10 . 1 1 25 25 CYS HA H 25 4.488 4.488 4.463 0.025 19124
1169 1 10 . 1 1 25 25 CYS CA C 25 56.480 56.480 59.205 -2.725 19124
1170 1 10 . 1 1 25 25 CYS CB C 25 40.435 40.435 25.402 15.033 19124
1171 1 10 . 1 1 25 25 CYS H H 25 7.862 7.862 8.188 -0.326 19124
1172 1 10 . 1 1 26 26 ARG N N 26 121.480 121.480 119.083 2.397 19124
1173 1 10 . 1 1 26 26 ARG HA H 26 4.290 4.290 4.317 -0.027 19124
1174 1 10 . 1 1 26 26 ARG CA C 26 56.637 56.637 57.379 -0.742 19124
1175 1 10 . 1 1 26 26 ARG CB C 26 30.129 30.129 29.818 0.311 19124
1176 1 10 . 1 1 26 26 ARG H H 26 8.298 8.298 8.068 0.230 19124
1177 1 10 . 1 1 27 27 TYR N N 27 119.050 119.050 118.919 0.131 19124
1178 1 10 . 1 1 27 27 TYR HA H 27 4.749 4.749 4.366 0.383 19124
1179 1 10 . 1 1 27 27 TYR CB C 27 38.326 38.326 38.463 -0.137 19124
1180 1 10 . 1 1 27 27 TYR H H 27 8.016 8.016 7.776 0.240 19124
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 24 1.786 -0.615 1.713 19124
2 1 1 "Average Difference" HA 26 0.191 -0.109 0.160 19124
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19124
4 1 1 "Average Difference" CA 21 2.032 1.085 1.761 19124
5 1 1 "Average Difference" CB 25 5.049 -1.598 4.888 19124
6 1 1 "Average Difference" HN 24 0.344 -0.148 0.317 19124
7 1 2 "Average Difference" N 24 1.878 -0.345 1.886 19124
8 1 2 "Average Difference" HA 26 0.195 -0.072 0.185 19124
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19124
10 1 2 "Average Difference" CA 21 2.133 0.924 1.969 19124
11 1 2 "Average Difference" CB 25 5.048 -1.746 4.834 19124
12 1 2 "Average Difference" HN 24 0.370 -0.153 0.345 19124
13 1 3 "Average Difference" N 24 1.644 -0.473 1.609 19124
14 1 3 "Average Difference" HA 26 0.181 -0.074 0.168 19124
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19124
16 1 3 "Average Difference" CA 21 1.900 0.983 1.666 19124
17 1 3 "Average Difference" CB 25 5.014 -1.569 4.860 19124
18 1 3 "Average Difference" HN 24 0.398 -0.198 0.353 19124
19 1 4 "Average Difference" N 24 2.059 -0.987 1.846 19124
20 1 4 "Average Difference" HA 26 0.196 -0.084 0.181 19124
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19124
22 1 4 "Average Difference" CA 21 2.041 0.955 1.848 19124
23 1 4 "Average Difference" CB 25 5.044 -1.586 4.887 19124
24 1 4 "Average Difference" HN 24 0.335 -0.157 0.302 19124
25 1 5 "Average Difference" N 24 1.717 -0.657 1.620 19124
26 1 5 "Average Difference" HA 26 0.214 -0.111 0.186 19124
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19124
28 1 5 "Average Difference" CA 21 2.059 1.083 1.794 19124
29 1 5 "Average Difference" CB 25 5.056 -1.648 4.878 19124
30 1 5 "Average Difference" HN 24 0.388 -0.161 0.360 19124
31 1 6 "Average Difference" N 24 1.705 -0.673 1.600 19124
32 1 6 "Average Difference" HA 26 0.204 -0.106 0.178 19124
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19124
34 1 6 "Average Difference" CA 21 1.979 0.980 1.762 19124
35 1 6 "Average Difference" CB 25 5.012 -1.470 4.891 19124
36 1 6 "Average Difference" HN 24 0.357 -0.188 0.311 19124
37 1 7 "Average Difference" N 24 1.720 -0.491 1.684 19124
38 1 7 "Average Difference" HA 26 0.199 -0.090 0.181 19124
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19124
40 1 7 "Average Difference" CA 21 2.392 1.157 2.145 19124
41 1 7 "Average Difference" CB 25 5.012 -1.551 4.864 19124
42 1 7 "Average Difference" HN 24 0.366 -0.133 0.348 19124
43 1 8 "Average Difference" N 24 1.740 -0.530 1.693 19124
44 1 8 "Average Difference" HA 26 0.262 -0.128 0.233 19124
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19124
46 1 8 "Average Difference" CA 21 2.271 1.146 2.009 19124
47 1 8 "Average Difference" CB 25 5.050 -1.787 4.820 19124
48 1 8 "Average Difference" HN 24 0.349 -0.133 0.330 19124
49 1 9 "Average Difference" N 24 1.760 -0.573 1.700 19124
50 1 9 "Average Difference" HA 26 0.158 -0.093 0.131 19124
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19124
52 1 9 "Average Difference" CA 21 1.990 1.110 1.693 19124
53 1 9 "Average Difference" CB 25 4.983 -1.596 4.818 19124
54 1 9 "Average Difference" HN 24 0.408 -0.213 0.355 19124
55 1 10 "Average Difference" N 24 1.715 -0.609 1.638 19124
56 1 10 "Average Difference" HA 26 0.172 -0.074 0.158 19124
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19124
58 1 10 "Average Difference" CA 21 1.915 1.042 1.647 19124
59 1 10 "Average Difference" CB 25 4.976 -1.418 4.868 19124
60 1 10 "Average Difference" HN 24 0.338 -0.120 0.323 19124
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 19124
_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 ASP HA H 2 4.756 4.756 4.686 0.070 19124
2 1 . 1 1 2 2 ASP CB C 2 40.936 40.936 41.764 -0.828 19124
3 1 . 1 1 3 3 ASP N N 3 123.145 123.145 120.820 2.325 19124
4 1 . 1 1 3 3 ASP HA H 3 4.726 4.726 4.611 0.115 19124
5 1 . 1 1 3 3 ASP CA C 3 53.812 53.812 54.531 -0.719 19124
6 1 . 1 1 3 3 ASP CB C 3 40.848 40.848 40.603 0.246 19124
7 1 . 1 1 3 3 ASP H H 3 8.502 8.502 8.510 -0.008 19124
8 1 . 1 1 4 4 ARG N N 4 121.446 121.446 120.735 0.711 19124
9 1 . 1 1 4 4 ARG HA H 4 4.043 4.043 4.100 -0.057 19124
10 1 . 1 1 4 4 ARG CA C 4 58.945 58.945 59.085 -0.140 19124
11 1 . 1 1 4 4 ARG CB C 4 29.658 29.658 29.831 -0.173 19124
12 1 . 1 1 4 4 ARG H H 4 8.524 8.524 8.240 0.284 19124
13 1 . 1 1 5 5 CYS N N 5 118.368 118.368 117.773 0.595 19124
14 1 . 1 1 5 5 CYS HA H 5 4.675 4.675 4.298 0.377 19124
15 1 . 1 1 5 5 CYS CA C 5 56.737 56.737 62.020 -5.283 19124
16 1 . 1 1 5 5 CYS CB C 5 36.976 36.976 26.067 10.909 19124
17 1 . 1 1 5 5 CYS H H 5 8.465 8.465 8.403 0.062 19124
18 1 . 1 1 6 6 GLU N N 6 121.562 121.562 119.270 2.292 19124
19 1 . 1 1 6 6 GLU HA H 6 4.009 4.009 3.949 0.059 19124
20 1 . 1 1 6 6 GLU CA C 6 59.515 59.515 59.554 -0.039 19124
21 1 . 1 1 6 6 GLU CB C 6 28.445 28.445 29.193 -0.747 19124
22 1 . 1 1 6 6 GLU H H 6 8.501 8.501 8.205 0.296 19124
23 1 . 1 1 7 7 ARG N N 7 117.167 117.167 118.312 -1.145 19124
24 1 . 1 1 7 7 ARG HA H 7 4.131 4.131 4.059 0.072 19124
25 1 . 1 1 7 7 ARG CA C 7 56.178 56.178 58.683 -2.505 19124
26 1 . 1 1 7 7 ARG CB C 7 29.463 29.463 30.178 -0.715 19124
27 1 . 1 1 7 7 ARG H H 7 8.073 8.073 7.870 0.203 19124
28 1 . 1 1 8 8 MET N N 8 118.916 118.916 118.165 0.751 19124
29 1 . 1 1 8 8 MET HA H 8 4.325 4.325 4.269 0.056 19124
30 1 . 1 1 8 8 MET CA C 8 57.991 57.991 58.705 -0.714 19124
31 1 . 1 1 8 8 MET CB C 8 32.167 32.167 32.645 -0.478 19124
32 1 . 1 1 8 8 MET H H 8 8.120 8.120 7.772 0.348 19124
33 1 . 1 1 9 9 CYS N N 9 114.907 114.907 116.625 -1.718 19124
34 1 . 1 1 9 9 CYS HA H 9 5.170 5.170 4.556 0.614 19124
35 1 . 1 1 9 9 CYS CA C 9 53.529 53.529 58.818 -5.289 19124
36 1 . 1 1 9 9 CYS CB C 9 37.987 37.987 25.239 12.748 19124
37 1 . 1 1 9 9 CYS H H 9 8.136 8.136 8.214 -0.078 19124
38 1 . 1 1 10 10 GLN N N 10 120.125 120.125 121.847 -1.722 19124
39 1 . 1 1 10 10 GLN HA H 10 4.117 4.117 3.990 0.127 19124
40 1 . 1 1 10 10 GLN CA C 10 57.534 57.534 58.509 -0.975 19124
41 1 . 1 1 10 10 GLN CB C 10 27.501 27.501 28.352 -0.851 19124
42 1 . 1 1 10 10 GLN H H 10 7.736 7.736 7.828 -0.091 19124
43 1 . 1 1 11 11 ARG N N 11 114.823 114.823 117.177 -2.354 19124
44 1 . 1 1 11 11 ARG HA H 11 4.125 4.125 3.971 0.154 19124
45 1 . 1 1 11 11 ARG CA C 11 58.646 58.646 57.842 0.804 19124
46 1 . 1 1 11 11 ARG CB C 11 28.634 28.634 29.696 -1.062 19124
47 1 . 1 1 11 11 ARG H H 11 7.679 7.679 7.714 -0.035 19124
48 1 . 1 1 12 12 TYR N N 12 119.718 119.718 119.092 0.626 19124
49 1 . 1 1 12 12 TYR HA H 12 4.574 4.574 4.599 -0.025 19124
50 1 . 1 1 12 12 TYR CA C 12 57.663 57.663 56.903 0.760 19124
51 1 . 1 1 12 12 TYR CB C 12 37.055 37.055 37.373 -0.318 19124
52 1 . 1 1 12 12 TYR H H 12 7.405 7.405 7.453 -0.048 19124
53 1 . 1 1 13 13 HIS CB C 13 28.878 28.878 29.133 -0.255 19124
54 1 . 1 1 14 14 ASP N N 14 121.456 121.456 119.875 1.581 19124
55 1 . 1 1 14 14 ASP HA H 14 4.770 4.770 4.803 -0.033 19124
56 1 . 1 1 14 14 ASP CB C 14 42.593 42.593 42.956 -0.363 19124
57 1 . 1 1 14 14 ASP H H 14 8.501 8.501 8.080 0.421 19124
58 1 . 1 1 15 15 ARG N N 15 126.394 126.394 124.397 1.997 19124
59 1 . 1 1 15 15 ARG HA H 15 4.014 4.014 3.970 0.044 19124
60 1 . 1 1 15 15 ARG CA C 15 59.230 59.230 58.941 0.289 19124
61 1 . 1 1 15 15 ARG CB C 15 29.636 29.636 30.126 -0.490 19124
62 1 . 1 1 15 15 ARG H H 15 8.975 8.975 8.780 0.196 19124
63 1 . 1 1 16 16 ARG N N 16 120.362 120.362 119.578 0.784 19124
64 1 . 1 1 16 16 ARG HA H 16 4.102 4.102 4.097 0.005 19124
65 1 . 1 1 16 16 ARG CA C 16 59.020 59.020 59.309 -0.289 19124
66 1 . 1 1 16 16 ARG CB C 16 28.892 28.892 29.588 -0.696 19124
67 1 . 1 1 16 16 ARG H H 16 8.436 8.436 8.229 0.207 19124
68 1 . 1 1 17 17 GLU N N 17 120.565 120.565 119.187 1.378 19124
69 1 . 1 1 17 17 GLU HA H 17 3.912 3.912 3.992 -0.079 19124
70 1 . 1 1 17 17 GLU CA C 17 58.624 58.624 58.864 -0.239 19124
71 1 . 1 1 17 17 GLU CB C 17 29.234 29.234 28.742 0.492 19124
72 1 . 1 1 17 17 GLU H H 17 8.245 8.245 8.508 -0.262 19124
73 1 . 1 1 18 18 LYS N N 18 121.316 121.316 119.637 1.679 19124
74 1 . 1 1 18 18 LYS HA H 18 3.896 3.896 3.958 -0.062 19124
75 1 . 1 1 18 18 LYS CA C 18 60.212 60.212 58.989 1.224 19124
76 1 . 1 1 18 18 LYS CB C 18 31.447 31.447 32.156 -0.709 19124
77 1 . 1 1 18 18 LYS H H 18 8.768 8.768 7.908 0.860 19124
78 1 . 1 1 19 19 LYS N N 19 119.130 119.130 119.402 -0.272 19124
79 1 . 1 1 19 19 LYS HA H 19 4.033 4.033 3.894 0.139 19124
80 1 . 1 1 19 19 LYS CB C 19 31.579 31.579 31.719 -0.140 19124
81 1 . 1 1 19 19 LYS H H 19 8.070 8.070 7.739 0.331 19124
82 1 . 1 1 20 20 GLN N N 20 118.825 118.825 118.383 0.442 19124
83 1 . 1 1 20 20 GLN HA H 20 4.078 4.078 4.037 0.041 19124
84 1 . 1 1 20 20 GLN CA C 20 58.100 58.100 58.641 -0.541 19124
85 1 . 1 1 20 20 GLN CB C 20 27.577 27.577 28.044 -0.466 19124
86 1 . 1 1 20 20 GLN H H 20 7.893 7.893 8.208 -0.315 19124
87 1 . 1 1 21 21 CYS N N 21 120.856 120.856 119.650 1.206 19124
88 1 . 1 1 21 21 CYS HA H 21 4.232 4.232 4.128 0.104 19124
89 1 . 1 1 21 21 CYS CA C 21 59.017 59.017 62.248 -3.231 19124
90 1 . 1 1 21 21 CYS CB C 21 36.741 36.741 26.157 10.584 19124
91 1 . 1 1 21 21 CYS H H 21 7.992 7.992 7.442 0.550 19124
92 1 . 1 1 22 22 MET N N 22 121.200 121.200 119.562 1.638 19124
93 1 . 1 1 22 22 MET HA H 22 4.290 4.290 4.082 0.208 19124
94 1 . 1 1 22 22 MET CA C 22 56.986 56.986 58.366 -1.380 19124
95 1 . 1 1 22 22 MET CB C 22 30.725 30.725 31.774 -1.049 19124
96 1 . 1 1 22 22 MET H H 22 8.673 8.673 8.400 0.273 19124
97 1 . 1 1 23 23 LYS N N 23 120.853 120.853 117.616 3.237 19124
98 1 . 1 1 23 23 LYS HA H 23 4.190 4.190 4.166 0.024 19124
99 1 . 1 1 23 23 LYS CA C 23 58.745 58.745 58.893 -0.148 19124
100 1 . 1 1 23 23 LYS CB C 23 31.720 31.720 32.367 -0.647 19124
101 1 . 1 1 23 23 LYS H H 23 8.128 8.128 8.136 -0.008 19124
102 1 . 1 1 24 24 GLY N N 24 104.975 104.975 107.149 -2.174 19124
103 1 . 1 1 24 24 GLY CA C 24 45.441 45.441 46.719 -1.278 19124
104 1 . 1 1 24 24 GLY H H 24 7.895 7.895 8.029 -0.134 19124
105 1 . 1 1 25 25 CYS N N 25 119.579 119.579 119.192 0.386 19124
106 1 . 1 1 25 25 CYS HA H 25 4.488 4.488 4.589 -0.102 19124
107 1 . 1 1 25 25 CYS CA C 25 56.480 56.480 58.332 -1.852 19124
108 1 . 1 1 25 25 CYS CB C 25 40.435 40.435 25.433 15.002 19124
109 1 . 1 1 25 25 CYS H H 25 7.862 7.862 7.920 -0.058 19124
110 1 . 1 1 26 26 ARG N N 26 121.480 121.480 119.760 1.720 19124
111 1 . 1 1 26 26 ARG HA H 26 4.290 4.290 4.273 0.017 19124
112 1 . 1 1 26 26 ARG CA C 26 56.637 56.637 57.067 -0.430 19124
113 1 . 1 1 26 26 ARG CB C 26 30.129 30.129 30.093 0.035 19124
114 1 . 1 1 26 26 ARG H H 26 8.298 8.298 7.738 0.560 19124
115 1 . 1 1 27 27 TYR N N 27 119.050 119.050 118.728 0.322 19124
116 1 . 1 1 27 27 TYR HA H 27 4.749 4.749 4.450 0.299 19124
117 1 . 1 1 27 27 TYR CB C 27 38.326 38.326 38.432 -0.106 19124
118 1 . 1 1 27 27 TYR H H 27 8.016 8.016 7.719 0.297 19124
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