data_25050
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25050
_Entry.PDB_ID 2MQU
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 25050
_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 HA H 2 4.923 4.923 5.222 -0.299 25050
2 1 1 . 1 1 2 2 CYS CA C 2 53.693 53.693 56.677 -2.984 25050
3 1 1 . 1 1 2 2 CYS CB C 2 42.729 42.729 30.063 12.666 25050
4 1 1 . 1 1 2 2 CYS H H 2 8.404 8.404 8.095 0.309 25050
5 1 1 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.339 -0.410 25050
6 1 1 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.139 0.009 25050
7 1 1 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.979 -0.939 25050
8 1 1 . 1 1 3 3 ILE H H 3 8.924 8.924 8.476 0.448 25050
9 1 1 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.399 -0.430 25050
10 1 1 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.449 -0.625 25050
11 1 1 . 1 1 4 4 ALA CB C 4 20.002 20.002 20.043 -0.041 25050
12 1 1 . 1 1 4 4 ALA H H 4 7.989 7.989 8.657 -0.668 25050
13 1 1 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.156 -0.418 25050
14 1 1 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.123 -0.060 25050
15 1 1 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.508 1.672 25050
16 1 1 . 1 1 5 5 LYS H H 5 7.690 7.690 8.433 -0.743 25050
17 1 1 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.676 -0.525 25050
18 1 1 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.146 0.753 25050
19 1 1 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.712 -4.032 25050
20 1 1 . 1 1 6 6 ASN H H 6 9.818 9.818 8.746 1.072 25050
21 1 1 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.496 0.011 25050
22 1 1 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.310 -1.222 25050
23 1 1 . 1 1 7 7 LYS H H 7 7.801 7.801 7.546 0.255 25050
24 1 1 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.483 0.216 25050
25 1 1 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.160 6.184 25050
26 1 1 . 1 1 8 8 GLU H H 8 8.370 8.370 8.519 -0.149 25050
27 1 1 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.716 0.154 25050
28 1 1 . 1 1 9 9 CYS CA C 9 53.222 53.222 58.438 -5.216 25050
29 1 1 . 1 1 9 9 CYS CB C 9 47.025 47.025 29.084 17.941 25050
30 1 1 . 1 1 9 9 CYS H H 9 8.157 8.157 8.315 -0.158 25050
31 1 1 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.701 -0.482 25050
32 1 1 . 1 1 10 10 ALA CA C 10 51.034 51.034 51.354 -0.320 25050
33 1 1 . 1 1 10 10 ALA CB C 10 20.222 20.222 19.799 0.423 25050
34 1 1 . 1 1 10 10 ALA H H 10 8.169 8.169 8.210 -0.041 25050
35 1 1 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.561 0.031 25050
36 1 1 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.190 -0.867 25050
37 1 1 . 1 1 11 11 TRP H H 11 8.070 8.070 8.916 -0.846 25050
38 1 1 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.803 -0.292 25050
39 1 1 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.425 -2.724 25050
40 1 1 . 1 1 12 12 PHE H H 12 8.019 8.019 7.815 0.204 25050
41 1 1 . 1 1 13 13 SER HA H 13 4.366 4.366 4.301 0.065 25050
42 1 1 . 1 1 13 13 SER CB C 13 63.656 63.656 63.683 -0.027 25050
43 1 1 . 1 1 13 13 SER H H 13 7.860 7.860 7.968 -0.108 25050
44 1 1 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.850 -0.265 25050
45 1 1 . 1 1 14 14 GLY H H 14 7.866 7.866 8.619 -0.753 25050
46 1 1 . 1 1 15 15 GLU HA H 15 4.305 4.305 3.926 0.379 25050
47 1 1 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.969 -0.070 25050
48 1 1 . 1 1 15 15 GLU CB C 15 30.697 30.697 31.003 -0.306 25050
49 1 1 . 1 1 15 15 GLU H H 15 7.719 7.719 7.346 0.373 25050
50 1 1 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.060 -0.133 25050
51 1 1 . 1 1 16 16 TRP CA C 16 54.769 54.769 54.498 0.271 25050
52 1 1 . 1 1 16 16 TRP CB C 16 30.442 30.442 30.868 -0.426 25050
53 1 1 . 1 1 16 16 TRP H H 16 8.423 8.423 7.948 0.475 25050
54 1 1 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.784 0.272 25050
55 1 1 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.254 -4.598 25050
56 1 1 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.711 11.250 25050
57 1 1 . 1 1 17 17 CYS H H 17 8.749 8.749 8.916 -0.167 25050
58 1 1 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.470 0.016 25050
59 1 1 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.501 13.377 25050
60 1 1 . 1 1 18 18 CYS H H 18 9.360 9.360 8.538 0.822 25050
61 1 1 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.253 -0.328 25050
62 1 1 . 1 1 19 19 GLY H H 19 8.577 8.577 8.836 -0.259 25050
63 1 1 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.489 -0.044 25050
64 1 1 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.108 -2.530 25050
65 1 1 . 1 1 20 20 ALA H H 20 8.625 8.625 8.184 0.441 25050
66 1 1 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.547 -0.179 25050
67 1 1 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.134 -1.007 25050
68 1 1 . 1 1 21 21 LEU H H 21 7.637 7.637 7.570 0.067 25050
69 1 1 . 1 1 22 22 SER HA H 22 4.712 4.712 4.698 0.014 25050
70 1 1 . 1 1 22 22 SER CB C 22 65.549 65.549 65.116 0.433 25050
71 1 1 . 1 1 22 22 SER H H 22 9.351 9.351 8.489 0.862 25050
72 1 1 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.728 0.160 25050
73 1 1 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.143 -3.234 25050
74 1 1 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.656 12.797 25050
75 1 1 . 1 1 23 23 CYS H H 23 8.690 8.690 8.716 -0.026 25050
76 1 1 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.828 0.040 25050
77 1 1 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.499 -0.286 25050
78 1 1 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.359 0.973 25050
79 1 1 . 1 1 24 24 LYS H H 24 9.202 9.202 8.573 0.629 25050
80 1 1 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.533 -0.366 25050
81 1 1 . 1 1 25 25 TYR CA C 25 59.208 59.208 58.878 0.330 25050
82 1 1 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.448 -1.469 25050
83 1 1 . 1 1 25 25 TYR H H 25 8.912 8.912 8.554 0.358 25050
84 1 1 . 1 1 26 26 SER HA H 26 4.597 4.597 4.674 -0.077 25050
85 1 1 . 1 1 26 26 SER CB C 26 63.103 63.103 63.199 -0.096 25050
86 1 1 . 1 1 26 26 SER H H 26 8.099 8.099 8.583 -0.484 25050
87 1 1 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.764 0.031 25050
88 1 1 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.818 -0.078 25050
89 1 1 . 1 1 27 27 ILE H H 27 8.475 8.475 8.528 -0.053 25050
90 1 1 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.047 -0.007 25050
91 1 1 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.113 -1.479 25050
92 1 1 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.673 0.282 25050
93 1 1 . 1 1 28 28 LYS H H 28 7.774 7.774 8.477 -0.703 25050
94 1 1 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.386 -0.192 25050
95 1 1 . 1 1 29 29 ARG CB C 29 30.228 30.228 30.174 0.055 25050
96 1 1 . 1 1 29 29 ARG H H 29 7.301 7.301 7.520 -0.219 25050
97 1 1 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.349 -0.157 25050
98 1 1 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.375 0.254 25050
99 1 1 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.906 -0.444 25050
100 1 1 . 1 1 30 30 ASN H H 30 8.223 8.223 8.106 0.117 25050
101 1 1 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.502 0.057 25050
102 1 1 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.701 -0.390 25050
103 1 1 . 1 1 31 31 LEU H H 31 7.075 7.075 7.346 -0.271 25050
104 1 1 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.811 -0.077 25050
105 1 1 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.511 -0.573 25050
106 1 1 . 1 1 32 32 LYS H H 32 8.248 8.248 8.234 0.014 25050
107 1 1 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.076 -0.084 25050
108 1 1 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.397 0.107 25050
109 1 1 . 1 1 33 33 ILE H H 33 8.480 8.480 8.234 0.246 25050
110 1 1 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.436 -0.328 25050
111 1 1 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.310 -4.892 25050
112 1 1 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.572 11.619 25050
113 1 1 . 1 1 34 34 CYS H H 34 7.758 7.758 7.897 -0.139 25050
114 1 2 . 1 1 2 2 CYS HA H 2 4.923 4.923 5.159 -0.236 25050
115 1 2 . 1 1 2 2 CYS CA C 2 53.693 53.693 56.720 -3.027 25050
116 1 2 . 1 1 2 2 CYS CB C 2 42.729 42.729 30.024 12.705 25050
117 1 2 . 1 1 2 2 CYS H H 2 8.404 8.404 8.057 0.347 25050
118 1 2 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.300 -0.371 25050
119 1 2 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.299 -0.151 25050
120 1 2 . 1 1 3 3 ILE CB C 3 38.040 38.040 39.050 -1.010 25050
121 1 2 . 1 1 3 3 ILE H H 3 8.924 8.924 8.441 0.483 25050
122 1 2 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.398 -0.429 25050
123 1 2 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.437 -0.613 25050
124 1 2 . 1 1 4 4 ALA CB C 4 20.002 20.002 20.046 -0.044 25050
125 1 2 . 1 1 4 4 ALA H H 4 7.989 7.989 8.653 -0.664 25050
126 1 2 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.179 -0.441 25050
127 1 2 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.108 -0.044 25050
128 1 2 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.418 1.762 25050
129 1 2 . 1 1 5 5 LYS H H 5 7.690 7.690 8.509 -0.819 25050
130 1 2 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.667 -0.516 25050
131 1 2 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.106 0.793 25050
132 1 2 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.748 -4.068 25050
133 1 2 . 1 1 6 6 ASN H H 6 9.818 9.818 8.720 1.098 25050
134 1 2 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.501 0.006 25050
135 1 2 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.252 -1.163 25050
136 1 2 . 1 1 7 7 LYS H H 7 7.801 7.801 7.576 0.225 25050
137 1 2 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.497 0.202 25050
138 1 2 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.176 6.168 25050
139 1 2 . 1 1 8 8 GLU H H 8 8.370 8.370 8.518 -0.148 25050
140 1 2 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.761 0.109 25050
141 1 2 . 1 1 9 9 CYS CA C 9 53.222 53.222 58.524 -5.302 25050
142 1 2 . 1 1 9 9 CYS CB C 9 47.025 47.025 29.076 17.949 25050
143 1 2 . 1 1 9 9 CYS H H 9 8.157 8.157 8.174 -0.017 25050
144 1 2 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.745 -0.526 25050
145 1 2 . 1 1 10 10 ALA CA C 10 51.034 51.034 51.195 -0.161 25050
146 1 2 . 1 1 10 10 ALA CB C 10 20.222 20.222 19.942 0.280 25050
147 1 2 . 1 1 10 10 ALA H H 10 8.169 8.169 8.244 -0.075 25050
148 1 2 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.559 0.033 25050
149 1 2 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.198 -0.875 25050
150 1 2 . 1 1 11 11 TRP H H 11 8.070 8.070 8.927 -0.857 25050
151 1 2 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.791 -0.280 25050
152 1 2 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.398 -2.697 25050
153 1 2 . 1 1 12 12 PHE H H 12 8.019 8.019 7.805 0.214 25050
154 1 2 . 1 1 13 13 SER HA H 13 4.366 4.366 4.321 0.045 25050
155 1 2 . 1 1 13 13 SER CB C 13 63.656 63.656 63.785 -0.129 25050
156 1 2 . 1 1 13 13 SER H H 13 7.860 7.860 7.992 -0.132 25050
157 1 2 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.678 -0.093 25050
158 1 2 . 1 1 14 14 GLY H H 14 7.866 7.866 8.526 -0.660 25050
159 1 2 . 1 1 15 15 GLU HA H 15 4.305 4.305 3.980 0.325 25050
160 1 2 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.791 0.108 25050
161 1 2 . 1 1 15 15 GLU CB C 15 30.697 30.697 31.218 -0.521 25050
162 1 2 . 1 1 15 15 GLU H H 15 7.719 7.719 7.536 0.183 25050
163 1 2 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.073 -0.146 25050
164 1 2 . 1 1 16 16 TRP CA C 16 54.769 54.769 55.042 -0.273 25050
165 1 2 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.289 -0.847 25050
166 1 2 . 1 1 16 16 TRP H H 16 8.423 8.423 7.926 0.497 25050
167 1 2 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.810 0.246 25050
168 1 2 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.284 -4.628 25050
169 1 2 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.545 11.416 25050
170 1 2 . 1 1 17 17 CYS H H 17 8.749 8.749 8.952 -0.203 25050
171 1 2 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.424 0.062 25050
172 1 2 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.375 13.503 25050
173 1 2 . 1 1 18 18 CYS H H 18 9.360 9.360 8.532 0.828 25050
174 1 2 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.186 -0.261 25050
175 1 2 . 1 1 19 19 GLY H H 19 8.577 8.577 8.833 -0.256 25050
176 1 2 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.501 -0.056 25050
177 1 2 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.085 -2.507 25050
178 1 2 . 1 1 20 20 ALA H H 20 8.625 8.625 8.195 0.430 25050
179 1 2 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.580 -0.212 25050
180 1 2 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.037 -0.910 25050
181 1 2 . 1 1 21 21 LEU H H 21 7.637 7.637 7.584 0.053 25050
182 1 2 . 1 1 22 22 SER HA H 22 4.712 4.712 4.673 0.039 25050
183 1 2 . 1 1 22 22 SER CB C 22 65.549 65.549 65.587 -0.038 25050
184 1 2 . 1 1 22 22 SER H H 22 9.351 9.351 8.319 1.032 25050
185 1 2 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.706 0.182 25050
186 1 2 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.157 -3.248 25050
187 1 2 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.363 13.090 25050
188 1 2 . 1 1 23 23 CYS H H 23 8.690 8.690 8.740 -0.050 25050
189 1 2 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.793 0.075 25050
190 1 2 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.040 0.173 25050
191 1 2 . 1 1 24 24 LYS CB C 24 36.333 36.333 34.757 1.576 25050
192 1 2 . 1 1 24 24 LYS H H 24 9.202 9.202 8.221 0.981 25050
193 1 2 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.510 -0.343 25050
194 1 2 . 1 1 25 25 TYR CA C 25 59.208 59.208 58.929 0.279 25050
195 1 2 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.531 -1.552 25050
196 1 2 . 1 1 25 25 TYR H H 25 8.912 8.912 8.523 0.389 25050
197 1 2 . 1 1 26 26 SER HA H 26 4.597 4.597 4.675 -0.078 25050
198 1 2 . 1 1 26 26 SER CB C 26 63.103 63.103 62.949 0.154 25050
199 1 2 . 1 1 26 26 SER H H 26 8.099 8.099 8.555 -0.456 25050
200 1 2 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.767 0.028 25050
201 1 2 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.740 0.000 25050
202 1 2 . 1 1 27 27 ILE H H 27 8.475 8.475 8.531 -0.056 25050
203 1 2 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.064 -0.024 25050
204 1 2 . 1 1 28 28 LYS CA C 28 57.634 57.634 58.916 -1.282 25050
205 1 2 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.544 0.411 25050
206 1 2 . 1 1 28 28 LYS H H 28 7.774 7.774 8.478 -0.704 25050
207 1 2 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.444 -0.249 25050
208 1 2 . 1 1 29 29 ARG CB C 29 30.228 30.228 30.428 -0.200 25050
209 1 2 . 1 1 29 29 ARG H H 29 7.301 7.301 7.479 -0.178 25050
210 1 2 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.278 -0.086 25050
211 1 2 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.393 0.236 25050
212 1 2 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.858 -0.396 25050
213 1 2 . 1 1 30 30 ASN H H 30 8.223 8.223 8.020 0.203 25050
214 1 2 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.527 0.032 25050
215 1 2 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.018 0.293 25050
216 1 2 . 1 1 31 31 LEU H H 31 7.075 7.075 7.382 -0.307 25050
217 1 2 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.795 -0.061 25050
218 1 2 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.488 -0.550 25050
219 1 2 . 1 1 32 32 LYS H H 32 8.248 8.248 8.238 0.010 25050
220 1 2 . 1 1 33 33 ILE HA H 33 4.992 4.992 4.968 0.024 25050
221 1 2 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.392 0.112 25050
222 1 2 . 1 1 33 33 ILE H H 33 8.480 8.480 8.176 0.304 25050
223 1 2 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.411 -0.303 25050
224 1 2 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.398 -4.980 25050
225 1 2 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.709 11.482 25050
226 1 2 . 1 1 34 34 CYS H H 34 7.758 7.758 7.921 -0.163 25050
227 1 3 . 1 1 2 2 CYS HA H 2 4.923 4.923 5.245 -0.322 25050
228 1 3 . 1 1 2 2 CYS CA C 2 53.693 53.693 57.052 -3.359 25050
229 1 3 . 1 1 2 2 CYS CB C 2 42.729 42.729 29.808 12.921 25050
230 1 3 . 1 1 2 2 CYS H H 2 8.404 8.404 7.721 0.683 25050
231 1 3 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.329 -0.400 25050
232 1 3 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.143 0.005 25050
233 1 3 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.905 -0.865 25050
234 1 3 . 1 1 3 3 ILE H H 3 8.924 8.924 8.493 0.431 25050
235 1 3 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.405 -0.436 25050
236 1 3 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.524 -0.700 25050
237 1 3 . 1 1 4 4 ALA CB C 4 20.002 20.002 19.889 0.113 25050
238 1 3 . 1 1 4 4 ALA H H 4 7.989 7.989 8.631 -0.642 25050
239 1 3 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.130 -0.392 25050
240 1 3 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.084 -0.020 25050
241 1 3 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.612 1.568 25050
242 1 3 . 1 1 5 5 LYS H H 5 7.690 7.690 8.484 -0.794 25050
243 1 3 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.648 -0.497 25050
244 1 3 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.376 0.523 25050
245 1 3 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.028 -3.348 25050
246 1 3 . 1 1 6 6 ASN H H 6 9.818 9.818 8.642 1.176 25050
247 1 3 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.508 -0.001 25050
248 1 3 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.387 -1.298 25050
249 1 3 . 1 1 7 7 LYS H H 7 7.801 7.801 7.628 0.173 25050
250 1 3 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.456 0.243 25050
251 1 3 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.138 6.206 25050
252 1 3 . 1 1 8 8 GLU H H 8 8.370 8.370 8.528 -0.158 25050
253 1 3 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.726 0.144 25050
254 1 3 . 1 1 9 9 CYS CA C 9 53.222 53.222 58.534 -5.312 25050
255 1 3 . 1 1 9 9 CYS CB C 9 47.025 47.025 29.438 17.587 25050
256 1 3 . 1 1 9 9 CYS H H 9 8.157 8.157 8.340 -0.183 25050
257 1 3 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.767 -0.548 25050
258 1 3 . 1 1 10 10 ALA CA C 10 51.034 51.034 51.060 -0.026 25050
259 1 3 . 1 1 10 10 ALA CB C 10 20.222 20.222 20.153 0.069 25050
260 1 3 . 1 1 10 10 ALA H H 10 8.169 8.169 8.230 -0.061 25050
261 1 3 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.548 0.044 25050
262 1 3 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.315 -0.992 25050
263 1 3 . 1 1 11 11 TRP H H 11 8.070 8.070 8.894 -0.824 25050
264 1 3 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.803 -0.292 25050
265 1 3 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.463 -2.762 25050
266 1 3 . 1 1 12 12 PHE H H 12 8.019 8.019 7.818 0.201 25050
267 1 3 . 1 1 13 13 SER HA H 13 4.366 4.366 4.308 0.058 25050
268 1 3 . 1 1 13 13 SER CB C 13 63.656 63.656 63.743 -0.087 25050
269 1 3 . 1 1 13 13 SER H H 13 7.860 7.860 8.004 -0.144 25050
270 1 3 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.884 -0.299 25050
271 1 3 . 1 1 14 14 GLY H H 14 7.866 7.866 8.615 -0.749 25050
272 1 3 . 1 1 15 15 GLU HA H 15 4.305 4.305 3.909 0.396 25050
273 1 3 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.977 -0.078 25050
274 1 3 . 1 1 15 15 GLU CB C 15 30.697 30.697 30.994 -0.297 25050
275 1 3 . 1 1 15 15 GLU H H 15 7.719 7.719 7.334 0.385 25050
276 1 3 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.067 -0.140 25050
277 1 3 . 1 1 16 16 TRP CA C 16 54.769 54.769 54.538 0.231 25050
278 1 3 . 1 1 16 16 TRP CB C 16 30.442 30.442 30.849 -0.407 25050
279 1 3 . 1 1 16 16 TRP H H 16 8.423 8.423 7.974 0.449 25050
280 1 3 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.782 0.274 25050
281 1 3 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.295 -4.639 25050
282 1 3 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.734 11.227 25050
283 1 3 . 1 1 17 17 CYS H H 17 8.749 8.749 8.888 -0.139 25050
284 1 3 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.499 -0.013 25050
285 1 3 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.668 13.210 25050
286 1 3 . 1 1 18 18 CYS H H 18 9.360 9.360 8.538 0.822 25050
287 1 3 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.242 -0.317 25050
288 1 3 . 1 1 19 19 GLY H H 19 8.577 8.577 8.828 -0.251 25050
289 1 3 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.489 -0.044 25050
290 1 3 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.044 -2.466 25050
291 1 3 . 1 1 20 20 ALA H H 20 8.625 8.625 8.175 0.450 25050
292 1 3 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.567 -0.199 25050
293 1 3 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.440 -1.312 25050
294 1 3 . 1 1 21 21 LEU H H 21 7.637 7.637 7.575 0.062 25050
295 1 3 . 1 1 22 22 SER HA H 22 4.712 4.712 4.742 -0.030 25050
296 1 3 . 1 1 22 22 SER CB C 22 65.549 65.549 65.588 -0.039 25050
297 1 3 . 1 1 22 22 SER H H 22 9.351 9.351 8.517 0.834 25050
298 1 3 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.725 0.163 25050
299 1 3 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.122 -3.213 25050
300 1 3 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.457 12.996 25050
301 1 3 . 1 1 23 23 CYS H H 23 8.690 8.690 8.755 -0.065 25050
302 1 3 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.802 0.066 25050
303 1 3 . 1 1 24 24 LYS CA C 24 54.213 54.213 53.967 0.247 25050
304 1 3 . 1 1 24 24 LYS CB C 24 36.333 36.333 34.968 1.365 25050
305 1 3 . 1 1 24 24 LYS H H 24 9.202 9.202 8.376 0.826 25050
306 1 3 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.636 -0.469 25050
307 1 3 . 1 1 25 25 TYR CA C 25 59.208 59.208 58.833 0.375 25050
308 1 3 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.421 -1.442 25050
309 1 3 . 1 1 25 25 TYR H H 25 8.912 8.912 8.557 0.355 25050
310 1 3 . 1 1 26 26 SER HA H 26 4.597 4.597 4.650 -0.053 25050
311 1 3 . 1 1 26 26 SER CB C 26 63.103 63.103 62.993 0.110 25050
312 1 3 . 1 1 26 26 SER H H 26 8.099 8.099 8.565 -0.466 25050
313 1 3 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.700 0.095 25050
314 1 3 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.767 -0.028 25050
315 1 3 . 1 1 27 27 ILE H H 27 8.475 8.475 8.431 0.044 25050
316 1 3 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.056 -0.016 25050
317 1 3 . 1 1 28 28 LYS CA C 28 57.634 57.634 58.933 -1.299 25050
318 1 3 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.520 0.435 25050
319 1 3 . 1 1 28 28 LYS H H 28 7.774 7.774 8.488 -0.714 25050
320 1 3 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.443 -0.248 25050
321 1 3 . 1 1 29 29 ARG CB C 29 30.228 30.228 30.319 -0.091 25050
322 1 3 . 1 1 29 29 ARG H H 29 7.301 7.301 7.514 -0.213 25050
323 1 3 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.322 -0.130 25050
324 1 3 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.401 0.228 25050
325 1 3 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.913 -0.451 25050
326 1 3 . 1 1 30 30 ASN H H 30 8.223 8.223 8.138 0.085 25050
327 1 3 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.514 0.045 25050
328 1 3 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.694 -0.383 25050
329 1 3 . 1 1 31 31 LEU H H 31 7.075 7.075 7.304 -0.229 25050
330 1 3 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.810 -0.076 25050
331 1 3 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.531 -0.593 25050
332 1 3 . 1 1 32 32 LYS H H 32 8.248 8.248 8.241 0.007 25050
333 1 3 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.057 -0.065 25050
334 1 3 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.429 0.075 25050
335 1 3 . 1 1 33 33 ILE H H 33 8.480 8.480 8.239 0.241 25050
336 1 3 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.400 -0.292 25050
337 1 3 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.423 -5.005 25050
338 1 3 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.380 11.811 25050
339 1 3 . 1 1 34 34 CYS H H 34 7.758 7.758 7.879 -0.121 25050
340 1 4 . 1 1 2 2 CYS HA H 2 4.923 4.923 5.020 -0.097 25050
341 1 4 . 1 1 2 2 CYS CA C 2 53.693 53.693 56.713 -3.020 25050
342 1 4 . 1 1 2 2 CYS CB C 2 42.729 42.729 29.430 13.299 25050
343 1 4 . 1 1 2 2 CYS H H 2 8.404 8.404 7.576 0.828 25050
344 1 4 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.350 -0.421 25050
345 1 4 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.107 0.041 25050
346 1 4 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.938 -0.898 25050
347 1 4 . 1 1 3 3 ILE H H 3 8.924 8.924 8.403 0.521 25050
348 1 4 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.405 -0.436 25050
349 1 4 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.422 -0.598 25050
350 1 4 . 1 1 4 4 ALA CB C 4 20.002 20.002 20.023 -0.020 25050
351 1 4 . 1 1 4 4 ALA H H 4 7.989 7.989 8.654 -0.665 25050
352 1 4 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.164 -0.426 25050
353 1 4 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.210 -0.146 25050
354 1 4 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.637 1.542 25050
355 1 4 . 1 1 5 5 LYS H H 5 7.690 7.690 8.537 -0.847 25050
356 1 4 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.681 -0.530 25050
357 1 4 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.047 0.852 25050
358 1 4 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.753 -4.073 25050
359 1 4 . 1 1 6 6 ASN H H 6 9.818 9.818 8.790 1.028 25050
360 1 4 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.500 0.007 25050
361 1 4 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.280 -1.191 25050
362 1 4 . 1 1 7 7 LYS H H 7 7.801 7.801 7.597 0.204 25050
363 1 4 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.503 0.196 25050
364 1 4 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.052 6.292 25050
365 1 4 . 1 1 8 8 GLU H H 8 8.370 8.370 8.474 -0.104 25050
366 1 4 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.879 -0.009 25050
367 1 4 . 1 1 9 9 CYS CA C 9 53.222 53.222 56.618 -3.396 25050
368 1 4 . 1 1 9 9 CYS CB C 9 47.025 47.025 31.345 15.680 25050
369 1 4 . 1 1 9 9 CYS H H 9 8.157 8.157 8.277 -0.120 25050
370 1 4 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.811 -0.592 25050
371 1 4 . 1 1 10 10 ALA CA C 10 51.034 51.034 50.946 0.088 25050
372 1 4 . 1 1 10 10 ALA CB C 10 20.222 20.222 21.255 -1.033 25050
373 1 4 . 1 1 10 10 ALA H H 10 8.169 8.169 8.025 0.144 25050
374 1 4 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.547 0.045 25050
375 1 4 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.126 -0.803 25050
376 1 4 . 1 1 11 11 TRP H H 11 8.070 8.070 8.865 -0.795 25050
377 1 4 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.729 -0.218 25050
378 1 4 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.715 -3.014 25050
379 1 4 . 1 1 12 12 PHE H H 12 8.019 8.019 7.766 0.253 25050
380 1 4 . 1 1 13 13 SER HA H 13 4.366 4.366 4.357 0.009 25050
381 1 4 . 1 1 13 13 SER CB C 13 63.656 63.656 63.596 0.060 25050
382 1 4 . 1 1 13 13 SER H H 13 7.860 7.860 7.930 -0.070 25050
383 1 4 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.779 -0.194 25050
384 1 4 . 1 1 14 14 GLY H H 14 7.866 7.866 8.562 -0.696 25050
385 1 4 . 1 1 15 15 GLU HA H 15 4.305 4.305 3.960 0.345 25050
386 1 4 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.626 0.273 25050
387 1 4 . 1 1 15 15 GLU CB C 15 30.697 30.697 31.058 -0.361 25050
388 1 4 . 1 1 15 15 GLU H H 15 7.719 7.719 7.384 0.335 25050
389 1 4 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.124 -0.197 25050
390 1 4 . 1 1 16 16 TRP CA C 16 54.769 54.769 55.498 -0.729 25050
391 1 4 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.728 -1.286 25050
392 1 4 . 1 1 16 16 TRP H H 16 8.423 8.423 7.928 0.495 25050
393 1 4 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.860 0.196 25050
394 1 4 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.280 -4.624 25050
395 1 4 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.432 11.529 25050
396 1 4 . 1 1 17 17 CYS H H 17 8.749 8.749 8.955 -0.206 25050
397 1 4 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.416 0.070 25050
398 1 4 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.373 13.505 25050
399 1 4 . 1 1 18 18 CYS H H 18 9.360 9.360 8.536 0.824 25050
400 1 4 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.243 -0.318 25050
401 1 4 . 1 1 19 19 GLY H H 19 8.577 8.577 8.834 -0.257 25050
402 1 4 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.494 -0.049 25050
403 1 4 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.088 -2.510 25050
404 1 4 . 1 1 20 20 ALA H H 20 8.625 8.625 8.194 0.431 25050
405 1 4 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.664 -0.296 25050
406 1 4 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.081 -0.955 25050
407 1 4 . 1 1 21 21 LEU H H 21 7.637 7.637 7.591 0.046 25050
408 1 4 . 1 1 22 22 SER HA H 22 4.712 4.712 4.569 0.143 25050
409 1 4 . 1 1 22 22 SER CB C 22 65.549 65.549 64.813 0.736 25050
410 1 4 . 1 1 22 22 SER H H 22 9.351 9.351 8.162 1.189 25050
411 1 4 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.874 0.014 25050
412 1 4 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.409 -3.500 25050
413 1 4 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.718 12.735 25050
414 1 4 . 1 1 23 23 CYS H H 23 8.690 8.690 8.514 0.176 25050
415 1 4 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.896 -0.028 25050
416 1 4 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.789 -0.576 25050
417 1 4 . 1 1 24 24 LYS CB C 24 36.333 36.333 36.236 0.097 25050
418 1 4 . 1 1 24 24 LYS H H 24 9.202 9.202 8.832 0.370 25050
419 1 4 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.538 -0.371 25050
420 1 4 . 1 1 25 25 TYR CA C 25 59.208 59.208 59.137 0.071 25050
421 1 4 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.300 -1.321 25050
422 1 4 . 1 1 25 25 TYR H H 25 8.912 8.912 8.735 0.177 25050
423 1 4 . 1 1 26 26 SER HA H 26 4.597 4.597 4.668 -0.071 25050
424 1 4 . 1 1 26 26 SER CB C 26 63.103 63.103 63.043 0.060 25050
425 1 4 . 1 1 26 26 SER H H 26 8.099 8.099 8.512 -0.413 25050
426 1 4 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.827 -0.032 25050
427 1 4 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.809 -0.069 25050
428 1 4 . 1 1 27 27 ILE H H 27 8.475 8.475 8.538 -0.063 25050
429 1 4 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.069 -0.029 25050
430 1 4 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.113 -1.479 25050
431 1 4 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.562 0.393 25050
432 1 4 . 1 1 28 28 LYS H H 28 7.774 7.774 8.481 -0.707 25050
433 1 4 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.358 -0.163 25050
434 1 4 . 1 1 29 29 ARG CB C 29 30.228 30.228 29.497 0.731 25050
435 1 4 . 1 1 29 29 ARG H H 29 7.301 7.301 7.867 -0.566 25050
436 1 4 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.294 -0.102 25050
437 1 4 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.069 0.560 25050
438 1 4 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.695 -0.233 25050
439 1 4 . 1 1 30 30 ASN H H 30 8.223 8.223 7.873 0.350 25050
440 1 4 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.517 0.042 25050
441 1 4 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.986 -0.675 25050
442 1 4 . 1 1 31 31 LEU H H 31 7.075 7.075 7.563 -0.488 25050
443 1 4 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.824 -0.090 25050
444 1 4 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.801 -0.863 25050
445 1 4 . 1 1 32 32 LYS H H 32 8.248 8.248 8.211 0.037 25050
446 1 4 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.069 -0.077 25050
447 1 4 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.390 0.114 25050
448 1 4 . 1 1 33 33 ILE H H 33 8.480 8.480 8.354 0.126 25050
449 1 4 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.393 -0.285 25050
450 1 4 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.718 -5.300 25050
451 1 4 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.172 12.019 25050
452 1 4 . 1 1 34 34 CYS H H 34 7.758 7.758 7.952 -0.194 25050
453 1 5 . 1 1 2 2 CYS HA H 2 4.923 4.923 5.180 -0.257 25050
454 1 5 . 1 1 2 2 CYS CA C 2 53.693 53.693 56.578 -2.885 25050
455 1 5 . 1 1 2 2 CYS CB C 2 42.729 42.729 29.975 12.754 25050
456 1 5 . 1 1 2 2 CYS H H 2 8.404 8.404 7.939 0.465 25050
457 1 5 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.336 -0.407 25050
458 1 5 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.097 0.051 25050
459 1 5 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.974 -0.933 25050
460 1 5 . 1 1 3 3 ILE H H 3 8.924 8.924 8.401 0.523 25050
461 1 5 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.410 -0.441 25050
462 1 5 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.502 -0.678 25050
463 1 5 . 1 1 4 4 ALA CB C 4 20.002 20.002 19.886 0.116 25050
464 1 5 . 1 1 4 4 ALA H H 4 7.989 7.989 8.632 -0.643 25050
465 1 5 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.150 -0.412 25050
466 1 5 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.185 -0.121 25050
467 1 5 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.655 1.525 25050
468 1 5 . 1 1 5 5 LYS H H 5 7.690 7.690 8.609 -0.919 25050
469 1 5 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.652 -0.501 25050
470 1 5 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.046 0.853 25050
471 1 5 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.168 -3.488 25050
472 1 5 . 1 1 6 6 ASN H H 6 9.818 9.818 8.647 1.171 25050
473 1 5 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.528 -0.021 25050
474 1 5 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.323 -1.234 25050
475 1 5 . 1 1 7 7 LYS H H 7 7.801 7.801 7.733 0.068 25050
476 1 5 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.479 0.220 25050
477 1 5 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.020 6.324 25050
478 1 5 . 1 1 8 8 GLU H H 8 8.370 8.370 8.459 -0.089 25050
479 1 5 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.867 0.003 25050
480 1 5 . 1 1 9 9 CYS CA C 9 53.222 53.222 56.728 -3.506 25050
481 1 5 . 1 1 9 9 CYS CB C 9 47.025 47.025 31.248 15.777 25050
482 1 5 . 1 1 9 9 CYS H H 9 8.157 8.157 8.388 -0.231 25050
483 1 5 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.905 -0.686 25050
484 1 5 . 1 1 10 10 ALA CA C 10 51.034 51.034 50.916 0.118 25050
485 1 5 . 1 1 10 10 ALA CB C 10 20.222 20.222 21.099 -0.876 25050
486 1 5 . 1 1 10 10 ALA H H 10 8.169 8.169 8.021 0.148 25050
487 1 5 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.571 0.021 25050
488 1 5 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.071 -0.748 25050
489 1 5 . 1 1 11 11 TRP H H 11 8.070 8.070 8.930 -0.860 25050
490 1 5 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.909 -0.398 25050
491 1 5 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.214 -2.513 25050
492 1 5 . 1 1 12 12 PHE H H 12 8.019 8.019 7.885 0.134 25050
493 1 5 . 1 1 13 13 SER HA H 13 4.366 4.366 4.334 0.032 25050
494 1 5 . 1 1 13 13 SER CB C 13 63.656 63.656 63.684 -0.029 25050
495 1 5 . 1 1 13 13 SER H H 13 7.860 7.860 8.096 -0.236 25050
496 1 5 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.758 -0.173 25050
497 1 5 . 1 1 14 14 GLY H H 14 7.866 7.866 8.615 -0.749 25050
498 1 5 . 1 1 15 15 GLU HA H 15 4.305 4.305 3.920 0.385 25050
499 1 5 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.990 -0.091 25050
500 1 5 . 1 1 15 15 GLU CB C 15 30.697 30.697 31.183 -0.486 25050
501 1 5 . 1 1 15 15 GLU H H 15 7.719 7.719 7.332 0.387 25050
502 1 5 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.078 -0.151 25050
503 1 5 . 1 1 16 16 TRP CA C 16 54.769 54.769 54.805 -0.036 25050
504 1 5 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.183 -0.741 25050
505 1 5 . 1 1 16 16 TRP H H 16 8.423 8.423 7.939 0.484 25050
506 1 5 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.839 0.217 25050
507 1 5 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.273 -4.617 25050
508 1 5 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.545 11.416 25050
509 1 5 . 1 1 17 17 CYS H H 17 8.749 8.749 8.960 -0.211 25050
510 1 5 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.407 0.079 25050
511 1 5 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.413 13.465 25050
512 1 5 . 1 1 18 18 CYS H H 18 9.360 9.360 8.528 0.832 25050
513 1 5 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.241 -0.316 25050
514 1 5 . 1 1 19 19 GLY H H 19 8.577 8.577 8.830 -0.253 25050
515 1 5 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.488 -0.043 25050
516 1 5 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.117 -2.539 25050
517 1 5 . 1 1 20 20 ALA H H 20 8.625 8.625 8.188 0.437 25050
518 1 5 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.595 -0.227 25050
519 1 5 . 1 1 21 21 LEU CB C 21 42.127 42.127 42.989 -0.862 25050
520 1 5 . 1 1 21 21 LEU H H 21 7.637 7.637 7.581 0.056 25050
521 1 5 . 1 1 22 22 SER HA H 22 4.712 4.712 4.586 0.126 25050
522 1 5 . 1 1 22 22 SER CB C 22 65.549 65.549 64.825 0.724 25050
523 1 5 . 1 1 22 22 SER H H 22 9.351 9.351 8.240 1.111 25050
524 1 5 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.848 0.041 25050
525 1 5 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.587 -3.678 25050
526 1 5 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.663 12.790 25050
527 1 5 . 1 1 23 23 CYS H H 23 8.690 8.690 8.546 0.144 25050
528 1 5 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.867 0.001 25050
529 1 5 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.661 -0.448 25050
530 1 5 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.907 0.426 25050
531 1 5 . 1 1 24 24 LYS H H 24 9.202 9.202 8.813 0.389 25050
532 1 5 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.553 -0.386 25050
533 1 5 . 1 1 25 25 TYR CA C 25 59.208 59.208 59.001 0.207 25050
534 1 5 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.142 -1.163 25050
535 1 5 . 1 1 25 25 TYR H H 25 8.912 8.912 8.821 0.091 25050
536 1 5 . 1 1 26 26 SER HA H 26 4.597 4.597 4.620 -0.023 25050
537 1 5 . 1 1 26 26 SER CB C 26 63.103 63.103 63.055 0.048 25050
538 1 5 . 1 1 26 26 SER H H 26 8.099 8.099 8.398 -0.299 25050
539 1 5 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.685 0.110 25050
540 1 5 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.762 -0.022 25050
541 1 5 . 1 1 27 27 ILE H H 27 8.475 8.475 8.359 0.116 25050
542 1 5 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.046 -0.006 25050
543 1 5 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.106 -1.472 25050
544 1 5 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.608 0.347 25050
545 1 5 . 1 1 28 28 LYS H H 28 7.774 7.774 8.442 -0.668 25050
546 1 5 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.332 -0.137 25050
547 1 5 . 1 1 29 29 ARG CB C 29 30.228 30.228 30.089 0.139 25050
548 1 5 . 1 1 29 29 ARG H H 29 7.301 7.301 7.442 -0.141 25050
549 1 5 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.328 -0.136 25050
550 1 5 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.087 0.542 25050
551 1 5 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.625 -0.163 25050
552 1 5 . 1 1 30 30 ASN H H 30 8.223 8.223 7.960 0.263 25050
553 1 5 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.507 0.052 25050
554 1 5 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.319 -0.008 25050
555 1 5 . 1 1 31 31 LEU H H 31 7.075 7.075 7.344 -0.269 25050
556 1 5 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.667 0.067 25050
557 1 5 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.819 -0.881 25050
558 1 5 . 1 1 32 32 LYS H H 32 8.248 8.248 8.218 0.030 25050
559 1 5 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.122 -0.130 25050
560 1 5 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.391 0.113 25050
561 1 5 . 1 1 33 33 ILE H H 33 8.480 8.480 8.338 0.142 25050
562 1 5 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.362 -0.254 25050
563 1 5 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.703 -5.285 25050
564 1 5 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.150 12.041 25050
565 1 5 . 1 1 34 34 CYS H H 34 7.758 7.758 7.958 -0.200 25050
566 1 6 . 1 1 2 2 CYS HA H 2 4.923 4.923 4.873 0.050 25050
567 1 6 . 1 1 2 2 CYS CA C 2 53.693 53.693 56.984 -3.291 25050
568 1 6 . 1 1 2 2 CYS CB C 2 42.729 42.729 29.771 12.958 25050
569 1 6 . 1 1 2 2 CYS H H 2 8.404 8.404 8.181 0.223 25050
570 1 6 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.307 -0.378 25050
571 1 6 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.368 -0.220 25050
572 1 6 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.713 -0.673 25050
573 1 6 . 1 1 3 3 ILE H H 3 8.924 8.924 8.476 0.448 25050
574 1 6 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.400 -0.431 25050
575 1 6 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.423 -0.599 25050
576 1 6 . 1 1 4 4 ALA CB C 4 20.002 20.002 20.053 -0.051 25050
577 1 6 . 1 1 4 4 ALA H H 4 7.989 7.989 8.658 -0.669 25050
578 1 6 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.169 -0.431 25050
579 1 6 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.180 -0.116 25050
580 1 6 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.563 1.617 25050
581 1 6 . 1 1 5 5 LYS H H 5 7.690 7.690 8.538 -0.848 25050
582 1 6 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.636 -0.485 25050
583 1 6 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.022 0.877 25050
584 1 6 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.235 -3.555 25050
585 1 6 . 1 1 6 6 ASN H H 6 9.818 9.818 8.634 1.184 25050
586 1 6 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.512 -0.005 25050
587 1 6 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.336 -1.247 25050
588 1 6 . 1 1 7 7 LYS H H 7 7.801 7.801 7.694 0.107 25050
589 1 6 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.561 0.138 25050
590 1 6 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.243 6.101 25050
591 1 6 . 1 1 8 8 GLU H H 8 8.370 8.370 8.517 -0.147 25050
592 1 6 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.896 -0.026 25050
593 1 6 . 1 1 9 9 CYS CA C 9 53.222 53.222 56.197 -2.975 25050
594 1 6 . 1 1 9 9 CYS CB C 9 47.025 47.025 30.243 16.782 25050
595 1 6 . 1 1 9 9 CYS H H 9 8.157 8.157 7.964 0.193 25050
596 1 6 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.686 -0.467 25050
597 1 6 . 1 1 10 10 ALA CA C 10 51.034 51.034 50.862 0.172 25050
598 1 6 . 1 1 10 10 ALA CB C 10 20.222 20.222 20.410 -0.188 25050
599 1 6 . 1 1 10 10 ALA H H 10 8.169 8.169 8.262 -0.093 25050
600 1 6 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.388 0.204 25050
601 1 6 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.128 -0.805 25050
602 1 6 . 1 1 11 11 TRP H H 11 8.070 8.070 8.863 -0.793 25050
603 1 6 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.794 -0.283 25050
604 1 6 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.188 -2.487 25050
605 1 6 . 1 1 12 12 PHE H H 12 8.019 8.019 7.773 0.246 25050
606 1 6 . 1 1 13 13 SER HA H 13 4.366 4.366 4.341 0.025 25050
607 1 6 . 1 1 13 13 SER CB C 13 63.656 63.656 63.870 -0.214 25050
608 1 6 . 1 1 13 13 SER H H 13 7.860 7.860 8.129 -0.269 25050
609 1 6 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.959 -0.374 25050
610 1 6 . 1 1 14 14 GLY H H 14 7.866 7.866 8.616 -0.750 25050
611 1 6 . 1 1 15 15 GLU HA H 15 4.305 4.305 4.705 -0.400 25050
612 1 6 . 1 1 15 15 GLU CA C 15 54.899 54.899 55.246 -0.347 25050
613 1 6 . 1 1 15 15 GLU CB C 15 30.697 30.697 31.601 -0.904 25050
614 1 6 . 1 1 15 15 GLU H H 15 7.719 7.719 7.486 0.233 25050
615 1 6 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.050 -0.123 25050
616 1 6 . 1 1 16 16 TRP CA C 16 54.769 54.769 56.376 -1.607 25050
617 1 6 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.548 -1.106 25050
618 1 6 . 1 1 16 16 TRP H H 16 8.423 8.423 8.224 0.199 25050
619 1 6 . 1 1 17 17 CYS HA H 17 5.056 5.056 5.034 0.022 25050
620 1 6 . 1 1 17 17 CYS CA C 17 54.656 54.656 58.977 -4.321 25050
621 1 6 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.525 11.436 25050
622 1 6 . 1 1 17 17 CYS H H 17 8.749 8.749 8.871 -0.122 25050
623 1 6 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.456 0.030 25050
624 1 6 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.657 13.220 25050
625 1 6 . 1 1 18 18 CYS H H 18 9.360 9.360 8.565 0.795 25050
626 1 6 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.166 -0.241 25050
627 1 6 . 1 1 19 19 GLY H H 19 8.577 8.577 8.805 -0.228 25050
628 1 6 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.547 -0.102 25050
629 1 6 . 1 1 20 20 ALA CB C 20 17.578 17.578 19.987 -2.409 25050
630 1 6 . 1 1 20 20 ALA H H 20 8.625 8.625 8.190 0.435 25050
631 1 6 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.648 -0.280 25050
632 1 6 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.200 -1.073 25050
633 1 6 . 1 1 21 21 LEU H H 21 7.637 7.637 7.599 0.038 25050
634 1 6 . 1 1 22 22 SER HA H 22 4.712 4.712 4.638 0.074 25050
635 1 6 . 1 1 22 22 SER CB C 22 65.549 65.549 65.294 0.255 25050
636 1 6 . 1 1 22 22 SER H H 22 9.351 9.351 8.143 1.208 25050
637 1 6 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.593 0.295 25050
638 1 6 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.357 -3.448 25050
639 1 6 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.053 13.400 25050
640 1 6 . 1 1 23 23 CYS H H 23 8.690 8.690 8.492 0.198 25050
641 1 6 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.783 0.085 25050
642 1 6 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.073 0.140 25050
643 1 6 . 1 1 24 24 LYS CB C 24 36.333 36.333 34.788 1.545 25050
644 1 6 . 1 1 24 24 LYS H H 24 9.202 9.202 8.229 0.973 25050
645 1 6 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.485 -0.318 25050
646 1 6 . 1 1 25 25 TYR CA C 25 59.208 59.208 58.884 0.324 25050
647 1 6 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.587 -1.608 25050
648 1 6 . 1 1 25 25 TYR H H 25 8.912 8.912 8.554 0.358 25050
649 1 6 . 1 1 26 26 SER HA H 26 4.597 4.597 4.633 -0.036 25050
650 1 6 . 1 1 26 26 SER CB C 26 63.103 63.103 63.066 0.037 25050
651 1 6 . 1 1 26 26 SER H H 26 8.099 8.099 8.512 -0.413 25050
652 1 6 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.761 0.034 25050
653 1 6 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.715 0.025 25050
654 1 6 . 1 1 27 27 ILE H H 27 8.475 8.475 8.457 0.018 25050
655 1 6 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.043 -0.003 25050
656 1 6 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.111 -1.477 25050
657 1 6 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.612 0.343 25050
658 1 6 . 1 1 28 28 LYS H H 28 7.774 7.774 8.435 -0.661 25050
659 1 6 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.353 -0.158 25050
660 1 6 . 1 1 29 29 ARG CB C 29 30.228 30.228 30.049 0.179 25050
661 1 6 . 1 1 29 29 ARG H H 29 7.301 7.301 7.463 -0.162 25050
662 1 6 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.303 -0.111 25050
663 1 6 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.224 0.405 25050
664 1 6 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.596 -0.134 25050
665 1 6 . 1 1 30 30 ASN H H 30 8.223 8.223 8.019 0.204 25050
666 1 6 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.602 -0.043 25050
667 1 6 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.139 0.172 25050
668 1 6 . 1 1 31 31 LEU H H 31 7.075 7.075 7.397 -0.322 25050
669 1 6 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.782 -0.048 25050
670 1 6 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.527 -0.589 25050
671 1 6 . 1 1 32 32 LYS H H 32 8.248 8.248 8.221 0.027 25050
672 1 6 . 1 1 33 33 ILE HA H 33 4.992 4.992 4.936 0.056 25050
673 1 6 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.431 0.073 25050
674 1 6 . 1 1 33 33 ILE H H 33 8.480 8.480 8.165 0.315 25050
675 1 6 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.358 -0.250 25050
676 1 6 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.380 -4.962 25050
677 1 6 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.672 11.519 25050
678 1 6 . 1 1 34 34 CYS H H 34 7.758 7.758 7.921 -0.163 25050
679 1 7 . 1 1 2 2 CYS HA H 2 4.923 4.923 5.181 -0.258 25050
680 1 7 . 1 1 2 2 CYS CA C 2 53.693 53.693 56.968 -3.275 25050
681 1 7 . 1 1 2 2 CYS CB C 2 42.729 42.729 30.196 12.533 25050
682 1 7 . 1 1 2 2 CYS H H 2 8.404 8.404 8.057 0.347 25050
683 1 7 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.285 -0.356 25050
684 1 7 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.296 -0.148 25050
685 1 7 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.414 -0.374 25050
686 1 7 . 1 1 3 3 ILE H H 3 8.924 8.924 8.352 0.572 25050
687 1 7 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.395 -0.426 25050
688 1 7 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.447 -0.622 25050
689 1 7 . 1 1 4 4 ALA CB C 4 20.002 20.002 20.066 -0.064 25050
690 1 7 . 1 1 4 4 ALA H H 4 7.989 7.989 8.644 -0.655 25050
691 1 7 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.158 -0.420 25050
692 1 7 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.077 -0.013 25050
693 1 7 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.430 1.750 25050
694 1 7 . 1 1 5 5 LYS H H 5 7.690 7.690 8.465 -0.775 25050
695 1 7 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.637 -0.486 25050
696 1 7 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.033 0.866 25050
697 1 7 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.173 -3.493 25050
698 1 7 . 1 1 6 6 ASN H H 6 9.818 9.818 8.668 1.150 25050
699 1 7 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.520 -0.013 25050
700 1 7 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.441 -1.352 25050
701 1 7 . 1 1 7 7 LYS H H 7 7.801 7.801 7.728 0.073 25050
702 1 7 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.495 0.204 25050
703 1 7 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.179 6.165 25050
704 1 7 . 1 1 8 8 GLU H H 8 8.370 8.370 8.541 -0.171 25050
705 1 7 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.934 -0.064 25050
706 1 7 . 1 1 9 9 CYS CA C 9 53.222 53.222 56.605 -3.383 25050
707 1 7 . 1 1 9 9 CYS CB C 9 47.025 47.025 30.361 16.664 25050
708 1 7 . 1 1 9 9 CYS H H 9 8.157 8.157 8.273 -0.116 25050
709 1 7 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.729 -0.510 25050
710 1 7 . 1 1 10 10 ALA CA C 10 51.034 51.034 50.834 0.200 25050
711 1 7 . 1 1 10 10 ALA CB C 10 20.222 20.222 21.203 -0.981 25050
712 1 7 . 1 1 10 10 ALA H H 10 8.169 8.169 8.263 -0.094 25050
713 1 7 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.466 0.126 25050
714 1 7 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.344 -1.021 25050
715 1 7 . 1 1 11 11 TRP H H 11 8.070 8.070 8.844 -0.774 25050
716 1 7 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.736 -0.225 25050
717 1 7 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.732 -3.031 25050
718 1 7 . 1 1 12 12 PHE H H 12 8.019 8.019 7.716 0.303 25050
719 1 7 . 1 1 13 13 SER HA H 13 4.366 4.366 4.310 0.056 25050
720 1 7 . 1 1 13 13 SER CB C 13 63.656 63.656 63.768 -0.112 25050
721 1 7 . 1 1 13 13 SER H H 13 7.860 7.860 8.041 -0.181 25050
722 1 7 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.851 -0.266 25050
723 1 7 . 1 1 14 14 GLY H H 14 7.866 7.866 8.645 -0.779 25050
724 1 7 . 1 1 15 15 GLU HA H 15 4.305 4.305 4.127 0.178 25050
725 1 7 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.613 0.286 25050
726 1 7 . 1 1 15 15 GLU CB C 15 30.697 30.697 30.972 -0.275 25050
727 1 7 . 1 1 15 15 GLU H H 15 7.719 7.719 7.571 0.148 25050
728 1 7 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.139 -0.212 25050
729 1 7 . 1 1 16 16 TRP CA C 16 54.769 54.769 55.636 -0.867 25050
730 1 7 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.521 -1.079 25050
731 1 7 . 1 1 16 16 TRP H H 16 8.423 8.423 8.008 0.415 25050
732 1 7 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.743 0.313 25050
733 1 7 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.408 -4.753 25050
734 1 7 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.482 11.479 25050
735 1 7 . 1 1 17 17 CYS H H 17 8.749 8.749 8.876 -0.127 25050
736 1 7 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.489 -0.003 25050
737 1 7 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.649 13.229 25050
738 1 7 . 1 1 18 18 CYS H H 18 9.360 9.360 8.518 0.842 25050
739 1 7 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.255 -0.330 25050
740 1 7 . 1 1 19 19 GLY H H 19 8.577 8.577 8.798 -0.221 25050
741 1 7 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.495 -0.050 25050
742 1 7 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.006 -2.428 25050
743 1 7 . 1 1 20 20 ALA H H 20 8.625 8.625 8.173 0.452 25050
744 1 7 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.533 -0.165 25050
745 1 7 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.317 -1.190 25050
746 1 7 . 1 1 21 21 LEU H H 21 7.637 7.637 7.601 0.036 25050
747 1 7 . 1 1 22 22 SER HA H 22 4.712 4.712 4.728 -0.016 25050
748 1 7 . 1 1 22 22 SER CB C 22 65.549 65.549 65.036 0.513 25050
749 1 7 . 1 1 22 22 SER H H 22 9.351 9.351 8.534 0.817 25050
750 1 7 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.645 0.243 25050
751 1 7 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.295 -3.386 25050
752 1 7 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.870 12.583 25050
753 1 7 . 1 1 23 23 CYS H H 23 8.690 8.690 8.491 0.199 25050
754 1 7 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.740 0.128 25050
755 1 7 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.245 -0.032 25050
756 1 7 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.440 0.893 25050
757 1 7 . 1 1 24 24 LYS H H 24 9.202 9.202 8.380 0.822 25050
758 1 7 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.477 -0.310 25050
759 1 7 . 1 1 25 25 TYR CA C 25 59.208 59.208 58.898 0.310 25050
760 1 7 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.729 -1.750 25050
761 1 7 . 1 1 25 25 TYR H H 25 8.912 8.912 8.581 0.331 25050
762 1 7 . 1 1 26 26 SER HA H 26 4.597 4.597 4.672 -0.075 25050
763 1 7 . 1 1 26 26 SER CB C 26 63.103 63.103 63.145 -0.042 25050
764 1 7 . 1 1 26 26 SER H H 26 8.099 8.099 8.523 -0.424 25050
765 1 7 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.826 -0.031 25050
766 1 7 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.941 -0.201 25050
767 1 7 . 1 1 27 27 ILE H H 27 8.475 8.475 8.577 -0.102 25050
768 1 7 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.058 -0.018 25050
769 1 7 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.297 -1.663 25050
770 1 7 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.568 0.387 25050
771 1 7 . 1 1 28 28 LYS H H 28 7.774 7.774 8.409 -0.635 25050
772 1 7 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.372 -0.177 25050
773 1 7 . 1 1 29 29 ARG CB C 29 30.228 30.228 29.724 0.504 25050
774 1 7 . 1 1 29 29 ARG H H 29 7.301 7.301 7.966 -0.665 25050
775 1 7 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.294 -0.102 25050
776 1 7 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.178 0.452 25050
777 1 7 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.564 -0.102 25050
778 1 7 . 1 1 30 30 ASN H H 30 8.223 8.223 7.916 0.307 25050
779 1 7 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.579 -0.020 25050
780 1 7 . 1 1 31 31 LEU CB C 31 46.311 46.311 45.968 0.343 25050
781 1 7 . 1 1 31 31 LEU H H 31 7.075 7.075 7.486 -0.411 25050
782 1 7 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.787 -0.053 25050
783 1 7 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.740 -0.802 25050
784 1 7 . 1 1 32 32 LYS H H 32 8.248 8.248 8.233 0.015 25050
785 1 7 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.048 -0.056 25050
786 1 7 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.410 0.094 25050
787 1 7 . 1 1 33 33 ILE H H 33 8.480 8.480 8.181 0.299 25050
788 1 7 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.292 -0.184 25050
789 1 7 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.581 -5.163 25050
790 1 7 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.304 11.887 25050
791 1 7 . 1 1 34 34 CYS H H 34 7.758 7.758 7.946 -0.188 25050
792 1 8 . 1 1 2 2 CYS HA H 2 4.923 4.923 5.268 -0.345 25050
793 1 8 . 1 1 2 2 CYS CA C 2 53.693 53.693 56.505 -2.812 25050
794 1 8 . 1 1 2 2 CYS CB C 2 42.729 42.729 30.373 12.356 25050
795 1 8 . 1 1 2 2 CYS H H 2 8.404 8.404 8.298 0.106 25050
796 1 8 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.369 -0.440 25050
797 1 8 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.327 -0.179 25050
798 1 8 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.297 -0.257 25050
799 1 8 . 1 1 3 3 ILE H H 3 8.924 8.924 8.296 0.628 25050
800 1 8 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.403 -0.434 25050
801 1 8 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.426 -0.602 25050
802 1 8 . 1 1 4 4 ALA CB C 4 20.002 20.002 20.031 -0.029 25050
803 1 8 . 1 1 4 4 ALA H H 4 7.989 7.989 8.661 -0.672 25050
804 1 8 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.156 -0.418 25050
805 1 8 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.392 -0.327 25050
806 1 8 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.558 1.622 25050
807 1 8 . 1 1 5 5 LYS H H 5 7.690 7.690 8.595 -0.905 25050
808 1 8 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.696 -0.545 25050
809 1 8 . 1 1 6 6 ASN CA C 6 54.899 54.899 53.833 1.066 25050
810 1 8 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.604 -3.924 25050
811 1 8 . 1 1 6 6 ASN H H 6 9.818 9.818 8.610 1.208 25050
812 1 8 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.519 -0.012 25050
813 1 8 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.262 -1.173 25050
814 1 8 . 1 1 7 7 LYS H H 7 7.801 7.801 7.695 0.106 25050
815 1 8 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.457 0.242 25050
816 1 8 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.164 6.180 25050
817 1 8 . 1 1 8 8 GLU H H 8 8.370 8.370 8.567 -0.197 25050
818 1 8 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.789 0.081 25050
819 1 8 . 1 1 9 9 CYS CA C 9 53.222 53.222 57.055 -3.833 25050
820 1 8 . 1 1 9 9 CYS CB C 9 47.025 47.025 30.427 16.598 25050
821 1 8 . 1 1 9 9 CYS H H 9 8.157 8.157 7.967 0.190 25050
822 1 8 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.640 -0.421 25050
823 1 8 . 1 1 10 10 ALA CA C 10 51.034 51.034 51.229 -0.195 25050
824 1 8 . 1 1 10 10 ALA CB C 10 20.222 20.222 20.629 -0.407 25050
825 1 8 . 1 1 10 10 ALA H H 10 8.169 8.169 8.181 -0.012 25050
826 1 8 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.310 0.282 25050
827 1 8 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.268 -0.945 25050
828 1 8 . 1 1 11 11 TRP H H 11 8.070 8.070 8.740 -0.670 25050
829 1 8 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.675 -0.164 25050
830 1 8 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.105 -2.404 25050
831 1 8 . 1 1 12 12 PHE H H 12 8.019 8.019 7.577 0.442 25050
832 1 8 . 1 1 13 13 SER HA H 13 4.366 4.366 4.357 0.009 25050
833 1 8 . 1 1 13 13 SER CB C 13 63.656 63.656 63.878 -0.222 25050
834 1 8 . 1 1 13 13 SER H H 13 7.860 7.860 8.084 -0.224 25050
835 1 8 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.963 -0.378 25050
836 1 8 . 1 1 14 14 GLY H H 14 7.866 7.866 8.551 -0.685 25050
837 1 8 . 1 1 15 15 GLU HA H 15 4.305 4.305 4.855 -0.550 25050
838 1 8 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.947 -0.049 25050
839 1 8 . 1 1 15 15 GLU CB C 15 30.697 30.697 31.432 -0.735 25050
840 1 8 . 1 1 15 15 GLU H H 15 7.719 7.719 7.636 0.083 25050
841 1 8 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.054 -0.127 25050
842 1 8 . 1 1 16 16 TRP CA C 16 54.769 54.769 56.769 -2.000 25050
843 1 8 . 1 1 16 16 TRP CB C 16 30.442 30.442 32.050 -1.608 25050
844 1 8 . 1 1 16 16 TRP H H 16 8.423 8.423 8.291 0.132 25050
845 1 8 . 1 1 17 17 CYS HA H 17 5.056 5.056 5.110 -0.054 25050
846 1 8 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.041 -4.385 25050
847 1 8 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.386 11.575 25050
848 1 8 . 1 1 17 17 CYS H H 17 8.749 8.749 8.913 -0.164 25050
849 1 8 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.417 0.069 25050
850 1 8 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.484 13.394 25050
851 1 8 . 1 1 18 18 CYS H H 18 9.360 9.360 8.555 0.805 25050
852 1 8 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.193 -0.268 25050
853 1 8 . 1 1 19 19 GLY H H 19 8.577 8.577 8.844 -0.267 25050
854 1 8 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.541 -0.096 25050
855 1 8 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.111 -2.533 25050
856 1 8 . 1 1 20 20 ALA H H 20 8.625 8.625 8.212 0.413 25050
857 1 8 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.652 -0.284 25050
858 1 8 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.796 -1.669 25050
859 1 8 . 1 1 21 21 LEU H H 21 7.637 7.637 7.541 0.096 25050
860 1 8 . 1 1 22 22 SER HA H 22 4.712 4.712 4.687 0.025 25050
861 1 8 . 1 1 22 22 SER CB C 22 65.549 65.549 64.804 0.745 25050
862 1 8 . 1 1 22 22 SER H H 22 9.351 9.351 8.481 0.870 25050
863 1 8 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.687 0.201 25050
864 1 8 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.581 -3.672 25050
865 1 8 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.179 13.274 25050
866 1 8 . 1 1 23 23 CYS H H 23 8.690 8.690 8.527 0.163 25050
867 1 8 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.719 0.149 25050
868 1 8 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.071 0.142 25050
869 1 8 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.197 1.136 25050
870 1 8 . 1 1 24 24 LYS H H 24 9.202 9.202 8.226 0.976 25050
871 1 8 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.535 -0.368 25050
872 1 8 . 1 1 25 25 TYR CA C 25 59.208 59.208 58.781 0.427 25050
873 1 8 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.504 -1.525 25050
874 1 8 . 1 1 25 25 TYR H H 25 8.912 8.912 8.555 0.357 25050
875 1 8 . 1 1 26 26 SER HA H 26 4.597 4.597 4.658 -0.061 25050
876 1 8 . 1 1 26 26 SER CB C 26 63.103 63.103 63.174 -0.071 25050
877 1 8 . 1 1 26 26 SER H H 26 8.099 8.099 8.580 -0.481 25050
878 1 8 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.758 0.037 25050
879 1 8 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.963 -0.223 25050
880 1 8 . 1 1 27 27 ILE H H 27 8.475 8.475 8.527 -0.052 25050
881 1 8 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.029 0.011 25050
882 1 8 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.309 -1.675 25050
883 1 8 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.796 0.159 25050
884 1 8 . 1 1 28 28 LYS H H 28 7.774 7.774 8.383 -0.609 25050
885 1 8 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.366 -0.171 25050
886 1 8 . 1 1 29 29 ARG CB C 29 30.228 30.228 30.181 0.047 25050
887 1 8 . 1 1 29 29 ARG H H 29 7.301 7.301 7.506 -0.205 25050
888 1 8 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.266 -0.074 25050
889 1 8 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.064 0.565 25050
890 1 8 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.711 -0.249 25050
891 1 8 . 1 1 30 30 ASN H H 30 8.223 8.223 7.981 0.242 25050
892 1 8 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.518 0.041 25050
893 1 8 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.972 -0.661 25050
894 1 8 . 1 1 31 31 LEU H H 31 7.075 7.075 7.460 -0.385 25050
895 1 8 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.764 -0.030 25050
896 1 8 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.483 -0.545 25050
897 1 8 . 1 1 32 32 LYS H H 32 8.248 8.248 8.229 0.019 25050
898 1 8 . 1 1 33 33 ILE HA H 33 4.992 4.992 4.921 0.071 25050
899 1 8 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.452 0.052 25050
900 1 8 . 1 1 33 33 ILE H H 33 8.480 8.480 8.132 0.348 25050
901 1 8 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.199 -0.091 25050
902 1 8 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.989 -5.571 25050
903 1 8 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.134 12.057 25050
904 1 8 . 1 1 34 34 CYS H H 34 7.758 7.758 7.870 -0.112 25050
905 1 9 . 1 1 2 2 CYS HA H 2 4.923 4.923 5.433 -0.510 25050
906 1 9 . 1 1 2 2 CYS CA C 2 53.693 53.693 56.293 -2.600 25050
907 1 9 . 1 1 2 2 CYS CB C 2 42.729 42.729 30.099 12.630 25050
908 1 9 . 1 1 2 2 CYS H H 2 8.404 8.404 7.870 0.534 25050
909 1 9 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.323 -0.394 25050
910 1 9 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.130 0.018 25050
911 1 9 . 1 1 3 3 ILE CB C 3 38.040 38.040 39.022 -0.982 25050
912 1 9 . 1 1 3 3 ILE H H 3 8.924 8.924 8.584 0.340 25050
913 1 9 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.395 -0.426 25050
914 1 9 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.448 -0.624 25050
915 1 9 . 1 1 4 4 ALA CB C 4 20.002 20.002 20.053 -0.051 25050
916 1 9 . 1 1 4 4 ALA H H 4 7.989 7.989 8.650 -0.661 25050
917 1 9 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.170 -0.432 25050
918 1 9 . 1 1 5 5 LYS CA C 5 57.064 57.064 56.977 0.087 25050
919 1 9 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.353 1.827 25050
920 1 9 . 1 1 5 5 LYS H H 5 7.690 7.690 8.464 -0.774 25050
921 1 9 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.635 -0.484 25050
922 1 9 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.044 0.855 25050
923 1 9 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.157 -3.477 25050
924 1 9 . 1 1 6 6 ASN H H 6 9.818 9.818 8.653 1.165 25050
925 1 9 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.511 -0.004 25050
926 1 9 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.446 -1.357 25050
927 1 9 . 1 1 7 7 LYS H H 7 7.801 7.801 7.702 0.099 25050
928 1 9 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.461 0.238 25050
929 1 9 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.124 6.220 25050
930 1 9 . 1 1 8 8 GLU H H 8 8.370 8.370 8.517 -0.147 25050
931 1 9 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.709 0.161 25050
932 1 9 . 1 1 9 9 CYS CA C 9 53.222 53.222 58.481 -5.259 25050
933 1 9 . 1 1 9 9 CYS CB C 9 47.025 47.025 28.834 18.191 25050
934 1 9 . 1 1 9 9 CYS H H 9 8.157 8.157 8.495 -0.338 25050
935 1 9 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.702 -0.483 25050
936 1 9 . 1 1 10 10 ALA CA C 10 51.034 51.034 51.339 -0.305 25050
937 1 9 . 1 1 10 10 ALA CB C 10 20.222 20.222 19.983 0.239 25050
938 1 9 . 1 1 10 10 ALA H H 10 8.169 8.169 8.171 -0.002 25050
939 1 9 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.547 0.045 25050
940 1 9 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.351 -1.028 25050
941 1 9 . 1 1 11 11 TRP H H 11 8.070 8.070 8.826 -0.756 25050
942 1 9 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.783 -0.272 25050
943 1 9 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.336 -2.635 25050
944 1 9 . 1 1 12 12 PHE H H 12 8.019 8.019 7.832 0.187 25050
945 1 9 . 1 1 13 13 SER HA H 13 4.366 4.366 4.322 0.044 25050
946 1 9 . 1 1 13 13 SER CB C 13 63.656 63.656 63.638 0.018 25050
947 1 9 . 1 1 13 13 SER H H 13 7.860 7.860 7.922 -0.062 25050
948 1 9 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.877 -0.292 25050
949 1 9 . 1 1 14 14 GLY H H 14 7.866 7.866 8.556 -0.690 25050
950 1 9 . 1 1 15 15 GLU HA H 15 4.305 4.305 3.931 0.374 25050
951 1 9 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.827 0.072 25050
952 1 9 . 1 1 15 15 GLU CB C 15 30.697 30.697 30.909 -0.212 25050
953 1 9 . 1 1 15 15 GLU H H 15 7.719 7.719 7.392 0.327 25050
954 1 9 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.087 -0.160 25050
955 1 9 . 1 1 16 16 TRP CA C 16 54.769 54.769 55.262 -0.493 25050
956 1 9 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.263 -0.821 25050
957 1 9 . 1 1 16 16 TRP H H 16 8.423 8.423 8.039 0.385 25050
958 1 9 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.816 0.240 25050
959 1 9 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.295 -4.639 25050
960 1 9 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.679 11.282 25050
961 1 9 . 1 1 17 17 CYS H H 17 8.749 8.749 8.890 -0.141 25050
962 1 9 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.504 -0.018 25050
963 1 9 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.614 13.264 25050
964 1 9 . 1 1 18 18 CYS H H 18 9.360 9.360 8.561 0.799 25050
965 1 9 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.240 -0.315 25050
966 1 9 . 1 1 19 19 GLY H H 19 8.577 8.577 8.843 -0.266 25050
967 1 9 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.491 -0.046 25050
968 1 9 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.096 -2.518 25050
969 1 9 . 1 1 20 20 ALA H H 20 8.625 8.625 8.177 0.448 25050
970 1 9 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.537 -0.169 25050
971 1 9 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.420 -1.293 25050
972 1 9 . 1 1 21 21 LEU H H 21 7.637 7.637 7.538 0.099 25050
973 1 9 . 1 1 22 22 SER HA H 22 4.712 4.712 4.752 -0.040 25050
974 1 9 . 1 1 22 22 SER CB C 22 65.549 65.549 65.858 -0.309 25050
975 1 9 . 1 1 22 22 SER H H 22 9.351 9.351 8.474 0.877 25050
976 1 9 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.670 0.218 25050
977 1 9 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.659 -3.750 25050
978 1 9 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.061 13.393 25050
979 1 9 . 1 1 23 23 CYS H H 23 8.690 8.690 8.782 -0.092 25050
980 1 9 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.783 0.085 25050
981 1 9 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.007 0.206 25050
982 1 9 . 1 1 24 24 LYS CB C 24 36.333 36.333 34.849 1.484 25050
983 1 9 . 1 1 24 24 LYS H H 24 9.202 9.202 8.375 0.827 25050
984 1 9 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.608 -0.441 25050
985 1 9 . 1 1 25 25 TYR CA C 25 59.208 59.208 58.888 0.320 25050
986 1 9 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.551 -1.572 25050
987 1 9 . 1 1 25 25 TYR H H 25 8.912 8.912 8.578 0.334 25050
988 1 9 . 1 1 26 26 SER HA H 26 4.597 4.597 4.646 -0.049 25050
989 1 9 . 1 1 26 26 SER CB C 26 63.103 63.103 62.822 0.281 25050
990 1 9 . 1 1 26 26 SER H H 26 8.099 8.099 8.550 -0.451 25050
991 1 9 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.676 0.119 25050
992 1 9 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.782 -0.042 25050
993 1 9 . 1 1 27 27 ILE H H 27 8.475 8.475 8.310 0.165 25050
994 1 9 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.038 0.002 25050
995 1 9 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.126 -1.492 25050
996 1 9 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.643 0.312 25050
997 1 9 . 1 1 28 28 LYS H H 28 7.774 7.774 8.470 -0.696 25050
998 1 9 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.369 -0.174 25050
999 1 9 . 1 1 29 29 ARG CB C 29 30.228 30.228 30.104 0.124 25050
1000 1 9 . 1 1 29 29 ARG H H 29 7.301 7.301 7.533 -0.232 25050
1001 1 9 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.342 -0.150 25050
1002 1 9 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.366 0.263 25050
1003 1 9 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.881 -0.419 25050
1004 1 9 . 1 1 30 30 ASN H H 30 8.223 8.223 8.115 0.108 25050
1005 1 9 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.510 0.049 25050
1006 1 9 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.686 -0.375 25050
1007 1 9 . 1 1 31 31 LEU H H 31 7.075 7.075 7.305 -0.230 25050
1008 1 9 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.807 -0.073 25050
1009 1 9 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.607 -0.669 25050
1010 1 9 . 1 1 32 32 LYS H H 32 8.248 8.248 8.246 0.002 25050
1011 1 9 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.120 -0.128 25050
1012 1 9 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.358 0.145 25050
1013 1 9 . 1 1 33 33 ILE H H 33 8.480 8.480 8.257 0.223 25050
1014 1 9 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.312 -0.204 25050
1015 1 9 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.522 -5.104 25050
1016 1 9 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.466 11.725 25050
1017 1 9 . 1 1 34 34 CYS H H 34 7.758 7.758 7.859 -0.101 25050
1018 1 10 . 1 1 2 2 CYS HA H 2 4.923 4.923 5.019 -0.096 25050
1019 1 10 . 1 1 2 2 CYS CA C 2 53.693 53.693 57.528 -3.835 25050
1020 1 10 . 1 1 2 2 CYS CB C 2 42.729 42.729 29.751 12.978 25050
1021 1 10 . 1 1 2 2 CYS H H 2 8.404 8.404 8.180 0.224 25050
1022 1 10 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.336 -0.407 25050
1023 1 10 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.356 -0.208 25050
1024 1 10 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.753 -0.713 25050
1025 1 10 . 1 1 3 3 ILE H H 3 8.924 8.924 8.319 0.605 25050
1026 1 10 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.392 -0.423 25050
1027 1 10 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.464 -0.640 25050
1028 1 10 . 1 1 4 4 ALA CB C 4 20.002 20.002 20.054 -0.052 25050
1029 1 10 . 1 1 4 4 ALA H H 4 7.989 7.989 8.656 -0.667 25050
1030 1 10 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.175 -0.437 25050
1031 1 10 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.179 -0.115 25050
1032 1 10 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.479 1.701 25050
1033 1 10 . 1 1 5 5 LYS H H 5 7.690 7.690 8.490 -0.800 25050
1034 1 10 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.682 -0.531 25050
1035 1 10 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.084 0.815 25050
1036 1 10 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.648 -3.968 25050
1037 1 10 . 1 1 6 6 ASN H H 6 9.818 9.818 8.780 1.038 25050
1038 1 10 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.476 0.031 25050
1039 1 10 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.264 -1.175 25050
1040 1 10 . 1 1 7 7 LYS H H 7 7.801 7.801 7.552 0.249 25050
1041 1 10 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.573 0.126 25050
1042 1 10 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.275 6.069 25050
1043 1 10 . 1 1 8 8 GLU H H 8 8.370 8.370 8.522 -0.152 25050
1044 1 10 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.911 -0.041 25050
1045 1 10 . 1 1 9 9 CYS CA C 9 53.222 53.222 56.178 -2.956 25050
1046 1 10 . 1 1 9 9 CYS CB C 9 47.025 47.025 30.340 16.685 25050
1047 1 10 . 1 1 9 9 CYS H H 9 8.157 8.157 7.998 0.159 25050
1048 1 10 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.722 -0.503 25050
1049 1 10 . 1 1 10 10 ALA CA C 10 51.034 51.034 51.057 -0.023 25050
1050 1 10 . 1 1 10 10 ALA CB C 10 20.222 20.222 20.151 0.071 25050
1051 1 10 . 1 1 10 10 ALA H H 10 8.169 8.169 8.339 -0.170 25050
1052 1 10 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.544 0.048 25050
1053 1 10 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.108 -0.784 25050
1054 1 10 . 1 1 11 11 TRP H H 11 8.070 8.070 8.930 -0.860 25050
1055 1 10 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.776 -0.265 25050
1056 1 10 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.234 -2.533 25050
1057 1 10 . 1 1 12 12 PHE H H 12 8.019 8.019 7.835 0.184 25050
1058 1 10 . 1 1 13 13 SER HA H 13 4.366 4.366 4.345 0.021 25050
1059 1 10 . 1 1 13 13 SER CB C 13 63.656 63.656 63.620 0.036 25050
1060 1 10 . 1 1 13 13 SER H H 13 7.860 7.860 8.001 -0.141 25050
1061 1 10 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.883 -0.298 25050
1062 1 10 . 1 1 14 14 GLY H H 14 7.866 7.866 8.534 -0.668 25050
1063 1 10 . 1 1 15 15 GLU HA H 15 4.305 4.305 3.936 0.369 25050
1064 1 10 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.595 0.304 25050
1065 1 10 . 1 1 15 15 GLU CB C 15 30.697 30.697 30.913 -0.216 25050
1066 1 10 . 1 1 15 15 GLU H H 15 7.719 7.719 7.387 0.332 25050
1067 1 10 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.132 -0.205 25050
1068 1 10 . 1 1 16 16 TRP CA C 16 54.769 54.769 55.491 -0.722 25050
1069 1 10 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.481 -1.039 25050
1070 1 10 . 1 1 16 16 TRP H H 16 8.423 8.423 7.934 0.489 25050
1071 1 10 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.813 0.243 25050
1072 1 10 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.375 -4.719 25050
1073 1 10 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.392 11.569 25050
1074 1 10 . 1 1 17 17 CYS H H 17 8.749 8.749 8.866 -0.117 25050
1075 1 10 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.498 -0.012 25050
1076 1 10 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.646 13.232 25050
1077 1 10 . 1 1 18 18 CYS H H 18 9.360 9.360 8.545 0.815 25050
1078 1 10 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.215 -0.290 25050
1079 1 10 . 1 1 19 19 GLY H H 19 8.577 8.577 8.803 -0.226 25050
1080 1 10 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.515 -0.070 25050
1081 1 10 . 1 1 20 20 ALA CB C 20 17.578 17.578 19.959 -2.381 25050
1082 1 10 . 1 1 20 20 ALA H H 20 8.625 8.625 8.157 0.468 25050
1083 1 10 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.564 -0.196 25050
1084 1 10 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.100 -0.973 25050
1085 1 10 . 1 1 21 21 LEU H H 21 7.637 7.637 7.513 0.124 25050
1086 1 10 . 1 1 22 22 SER HA H 22 4.712 4.712 4.694 0.018 25050
1087 1 10 . 1 1 22 22 SER CB C 22 65.549 65.549 65.200 0.349 25050
1088 1 10 . 1 1 22 22 SER H H 22 9.351 9.351 8.404 0.947 25050
1089 1 10 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.591 0.297 25050
1090 1 10 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.521 -3.612 25050
1091 1 10 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.270 13.183 25050
1092 1 10 . 1 1 23 23 CYS H H 23 8.690 8.690 8.526 0.164 25050
1093 1 10 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.805 0.063 25050
1094 1 10 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.078 0.135 25050
1095 1 10 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.014 1.319 25050
1096 1 10 . 1 1 24 24 LYS H H 24 9.202 9.202 8.473 0.729 25050
1097 1 10 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.670 -0.503 25050
1098 1 10 . 1 1 25 25 TYR CA C 25 59.208 59.208 58.786 0.422 25050
1099 1 10 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.430 -1.451 25050
1100 1 10 . 1 1 25 25 TYR H H 25 8.912 8.912 8.587 0.325 25050
1101 1 10 . 1 1 26 26 SER HA H 26 4.597 4.597 4.651 -0.054 25050
1102 1 10 . 1 1 26 26 SER CB C 26 63.103 63.103 63.172 -0.069 25050
1103 1 10 . 1 1 26 26 SER H H 26 8.099 8.099 8.564 -0.465 25050
1104 1 10 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.736 0.059 25050
1105 1 10 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.728 0.012 25050
1106 1 10 . 1 1 27 27 ILE H H 27 8.475 8.475 8.515 -0.040 25050
1107 1 10 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.056 -0.016 25050
1108 1 10 . 1 1 28 28 LYS CA C 28 57.634 57.634 58.940 -1.306 25050
1109 1 10 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.527 0.428 25050
1110 1 10 . 1 1 28 28 LYS H H 28 7.774 7.774 8.496 -0.722 25050
1111 1 10 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.458 -0.263 25050
1112 1 10 . 1 1 29 29 ARG CB C 29 30.228 30.228 30.205 0.023 25050
1113 1 10 . 1 1 29 29 ARG H H 29 7.301 7.301 7.505 -0.204 25050
1114 1 10 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.277 -0.085 25050
1115 1 10 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.369 0.260 25050
1116 1 10 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.830 -0.368 25050
1117 1 10 . 1 1 30 30 ASN H H 30 8.223 8.223 8.037 0.186 25050
1118 1 10 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.540 0.019 25050
1119 1 10 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.229 0.082 25050
1120 1 10 . 1 1 31 31 LEU H H 31 7.075 7.075 7.326 -0.251 25050
1121 1 10 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.828 -0.094 25050
1122 1 10 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.566 -0.628 25050
1123 1 10 . 1 1 32 32 LYS H H 32 8.248 8.248 8.230 0.018 25050
1124 1 10 . 1 1 33 33 ILE HA H 33 4.992 4.992 4.957 0.035 25050
1125 1 10 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.446 0.058 25050
1126 1 10 . 1 1 33 33 ILE H H 33 8.480 8.480 8.250 0.230 25050
1127 1 10 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.434 -0.326 25050
1128 1 10 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.288 -4.870 25050
1129 1 10 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.453 11.738 25050
1130 1 10 . 1 1 34 34 CYS H H 34 7.758 7.758 7.903 -0.145 25050
1131 1 11 . 1 1 2 2 CYS HA H 2 4.923 4.923 5.140 -0.217 25050
1132 1 11 . 1 1 2 2 CYS CA C 2 53.693 53.693 56.544 -2.851 25050
1133 1 11 . 1 1 2 2 CYS CB C 2 42.729 42.729 30.156 12.573 25050
1134 1 11 . 1 1 2 2 CYS H H 2 8.404 8.404 8.151 0.253 25050
1135 1 11 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.288 -0.359 25050
1136 1 11 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.338 -0.190 25050
1137 1 11 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.694 -0.654 25050
1138 1 11 . 1 1 3 3 ILE H H 3 8.924 8.924 8.363 0.561 25050
1139 1 11 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.406 -0.437 25050
1140 1 11 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.474 -0.650 25050
1141 1 11 . 1 1 4 4 ALA CB C 4 20.002 20.002 19.907 0.095 25050
1142 1 11 . 1 1 4 4 ALA H H 4 7.989 7.989 8.640 -0.651 25050
1143 1 11 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.134 -0.396 25050
1144 1 11 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.011 0.053 25050
1145 1 11 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.884 1.296 25050
1146 1 11 . 1 1 5 5 LYS H H 5 7.690 7.690 8.592 -0.902 25050
1147 1 11 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.649 -0.498 25050
1148 1 11 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.044 0.855 25050
1149 1 11 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.213 -3.533 25050
1150 1 11 . 1 1 6 6 ASN H H 6 9.818 9.818 8.641 1.177 25050
1151 1 11 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.507 0.000 25050
1152 1 11 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.386 -1.297 25050
1153 1 11 . 1 1 7 7 LYS H H 7 7.801 7.801 7.722 0.079 25050
1154 1 11 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.622 0.077 25050
1155 1 11 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.300 6.044 25050
1156 1 11 . 1 1 8 8 GLU H H 8 8.370 8.370 8.503 -0.133 25050
1157 1 11 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.952 -0.082 25050
1158 1 11 . 1 1 9 9 CYS CA C 9 53.222 53.222 56.420 -3.199 25050
1159 1 11 . 1 1 9 9 CYS CB C 9 47.025 47.025 30.529 16.496 25050
1160 1 11 . 1 1 9 9 CYS H H 9 8.157 8.157 8.185 -0.028 25050
1161 1 11 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.796 -0.577 25050
1162 1 11 . 1 1 10 10 ALA CA C 10 51.034 51.034 50.850 0.184 25050
1163 1 11 . 1 1 10 10 ALA CB C 10 20.222 20.222 20.792 -0.570 25050
1164 1 11 . 1 1 10 10 ALA H H 10 8.169 8.169 8.415 -0.246 25050
1165 1 11 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.541 0.051 25050
1166 1 11 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.208 -0.885 25050
1167 1 11 . 1 1 11 11 TRP H H 11 8.070 8.070 8.907 -0.837 25050
1168 1 11 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.805 -0.294 25050
1169 1 11 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.514 -2.813 25050
1170 1 11 . 1 1 12 12 PHE H H 12 8.019 8.019 7.824 0.195 25050
1171 1 11 . 1 1 13 13 SER HA H 13 4.366 4.366 4.309 0.057 25050
1172 1 11 . 1 1 13 13 SER CB C 13 63.656 63.656 63.714 -0.058 25050
1173 1 11 . 1 1 13 13 SER H H 13 7.860 7.860 8.006 -0.146 25050
1174 1 11 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.724 -0.139 25050
1175 1 11 . 1 1 14 14 GLY H H 14 7.866 7.866 8.657 -0.791 25050
1176 1 11 . 1 1 15 15 GLU HA H 15 4.305 4.305 3.885 0.420 25050
1177 1 11 . 1 1 15 15 GLU CA C 15 54.899 54.899 55.149 -0.250 25050
1178 1 11 . 1 1 15 15 GLU CB C 15 30.697 30.697 31.140 -0.443 25050
1179 1 11 . 1 1 15 15 GLU H H 15 7.719 7.719 7.318 0.401 25050
1180 1 11 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.097 -0.170 25050
1181 1 11 . 1 1 16 16 TRP CA C 16 54.769 54.769 54.728 0.041 25050
1182 1 11 . 1 1 16 16 TRP CB C 16 30.442 30.442 30.882 -0.440 25050
1183 1 11 . 1 1 16 16 TRP H H 16 8.423 8.423 7.905 0.518 25050
1184 1 11 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.841 0.215 25050
1185 1 11 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.332 -4.676 25050
1186 1 11 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.516 11.445 25050
1187 1 11 . 1 1 17 17 CYS H H 17 8.749 8.749 8.858 -0.109 25050
1188 1 11 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.499 -0.013 25050
1189 1 11 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.758 13.120 25050
1190 1 11 . 1 1 18 18 CYS H H 18 9.360 9.360 8.543 0.817 25050
1191 1 11 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.185 -0.260 25050
1192 1 11 . 1 1 19 19 GLY H H 19 8.577 8.577 8.786 -0.209 25050
1193 1 11 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.501 -0.056 25050
1194 1 11 . 1 1 20 20 ALA CB C 20 17.578 17.578 19.851 -2.273 25050
1195 1 11 . 1 1 20 20 ALA H H 20 8.625 8.625 8.144 0.481 25050
1196 1 11 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.617 -0.249 25050
1197 1 11 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.180 -1.053 25050
1198 1 11 . 1 1 21 21 LEU H H 21 7.637 7.637 7.565 0.072 25050
1199 1 11 . 1 1 22 22 SER HA H 22 4.712 4.712 4.652 0.060 25050
1200 1 11 . 1 1 22 22 SER CB C 22 65.549 65.549 65.268 0.281 25050
1201 1 11 . 1 1 22 22 SER H H 22 9.351 9.351 8.132 1.219 25050
1202 1 11 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.618 0.270 25050
1203 1 11 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.419 -3.510 25050
1204 1 11 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.207 13.246 25050
1205 1 11 . 1 1 23 23 CYS H H 23 8.690 8.690 8.595 0.095 25050
1206 1 11 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.867 0.001 25050
1207 1 11 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.398 -0.185 25050
1208 1 11 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.120 1.213 25050
1209 1 11 . 1 1 24 24 LYS H H 24 9.202 9.202 8.266 0.936 25050
1210 1 11 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.686 -0.519 25050
1211 1 11 . 1 1 25 25 TYR CA C 25 59.208 59.208 58.962 0.246 25050
1212 1 11 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.044 -1.065 25050
1213 1 11 . 1 1 25 25 TYR H H 25 8.912 8.912 8.704 0.208 25050
1214 1 11 . 1 1 26 26 SER HA H 26 4.597 4.597 4.623 -0.026 25050
1215 1 11 . 1 1 26 26 SER CB C 26 63.103 63.103 62.846 0.257 25050
1216 1 11 . 1 1 26 26 SER H H 26 8.099 8.099 8.523 -0.424 25050
1217 1 11 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.661 0.134 25050
1218 1 11 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.845 -0.105 25050
1219 1 11 . 1 1 27 27 ILE H H 27 8.475 8.475 8.253 0.222 25050
1220 1 11 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.038 0.002 25050
1221 1 11 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.124 -1.490 25050
1222 1 11 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.649 0.306 25050
1223 1 11 . 1 1 28 28 LYS H H 28 7.774 7.774 8.474 -0.700 25050
1224 1 11 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.368 -0.173 25050
1225 1 11 . 1 1 29 29 ARG CB C 29 30.228 30.228 30.009 0.219 25050
1226 1 11 . 1 1 29 29 ARG H H 29 7.301 7.301 7.483 -0.182 25050
1227 1 11 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.289 -0.097 25050
1228 1 11 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.000 0.629 25050
1229 1 11 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.516 -0.053 25050
1230 1 11 . 1 1 30 30 ASN H H 30 8.223 8.223 7.912 0.311 25050
1231 1 11 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.560 -0.001 25050
1232 1 11 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.371 -0.060 25050
1233 1 11 . 1 1 31 31 LEU H H 31 7.075 7.075 7.363 -0.288 25050
1234 1 11 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.800 -0.066 25050
1235 1 11 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.628 -0.690 25050
1236 1 11 . 1 1 32 32 LYS H H 32 8.248 8.248 8.241 0.007 25050
1237 1 11 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.033 -0.041 25050
1238 1 11 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.386 0.118 25050
1239 1 11 . 1 1 33 33 ILE H H 33 8.480 8.480 8.238 0.242 25050
1240 1 11 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.432 -0.324 25050
1241 1 11 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.296 -4.878 25050
1242 1 11 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.734 11.457 25050
1243 1 11 . 1 1 34 34 CYS H H 34 7.758 7.758 7.937 -0.179 25050
1244 1 12 . 1 1 2 2 CYS HA H 2 4.923 4.923 4.855 0.068 25050
1245 1 12 . 1 1 2 2 CYS CA C 2 53.693 53.693 57.389 -3.696 25050
1246 1 12 . 1 1 2 2 CYS CB C 2 42.729 42.729 29.906 12.823 25050
1247 1 12 . 1 1 2 2 CYS H H 2 8.404 8.404 8.225 0.179 25050
1248 1 12 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.300 -0.371 25050
1249 1 12 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.365 -0.217 25050
1250 1 12 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.492 -0.452 25050
1251 1 12 . 1 1 3 3 ILE H H 3 8.924 8.924 8.339 0.585 25050
1252 1 12 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.404 -0.435 25050
1253 1 12 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.513 -0.689 25050
1254 1 12 . 1 1 4 4 ALA CB C 4 20.002 20.002 19.925 0.077 25050
1255 1 12 . 1 1 4 4 ALA H H 4 7.989 7.989 8.629 -0.640 25050
1256 1 12 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.133 -0.395 25050
1257 1 12 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.103 -0.039 25050
1258 1 12 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.495 1.685 25050
1259 1 12 . 1 1 5 5 LYS H H 5 7.690 7.690 8.490 -0.800 25050
1260 1 12 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.649 -0.498 25050
1261 1 12 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.275 0.624 25050
1262 1 12 . 1 1 6 6 ASN CB C 6 36.680 36.680 39.975 -3.295 25050
1263 1 12 . 1 1 6 6 ASN H H 6 9.818 9.818 8.773 1.045 25050
1264 1 12 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.467 0.040 25050
1265 1 12 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.322 -1.234 25050
1266 1 12 . 1 1 7 7 LYS H H 7 7.801 7.801 7.644 0.157 25050
1267 1 12 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.465 0.234 25050
1268 1 12 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.159 6.185 25050
1269 1 12 . 1 1 8 8 GLU H H 8 8.370 8.370 8.536 -0.166 25050
1270 1 12 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.936 -0.066 25050
1271 1 12 . 1 1 9 9 CYS CA C 9 53.222 53.222 56.746 -3.525 25050
1272 1 12 . 1 1 9 9 CYS CB C 9 47.025 47.025 30.603 16.422 25050
1273 1 12 . 1 1 9 9 CYS H H 9 8.157 8.157 8.311 -0.154 25050
1274 1 12 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.711 -0.492 25050
1275 1 12 . 1 1 10 10 ALA CA C 10 51.034 51.034 50.949 0.085 25050
1276 1 12 . 1 1 10 10 ALA CB C 10 20.222 20.222 21.428 -1.206 25050
1277 1 12 . 1 1 10 10 ALA H H 10 8.169 8.169 8.133 0.036 25050
1278 1 12 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.514 0.078 25050
1279 1 12 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.380 -1.057 25050
1280 1 12 . 1 1 11 11 TRP H H 11 8.070 8.070 8.814 -0.744 25050
1281 1 12 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.725 -0.214 25050
1282 1 12 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.799 -3.098 25050
1283 1 12 . 1 1 12 12 PHE H H 12 8.019 8.019 7.688 0.331 25050
1284 1 12 . 1 1 13 13 SER HA H 13 4.366 4.366 4.315 0.051 25050
1285 1 12 . 1 1 13 13 SER CB C 13 63.656 63.656 63.828 -0.172 25050
1286 1 12 . 1 1 13 13 SER H H 13 7.860 7.860 8.059 -0.199 25050
1287 1 12 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.723 -0.138 25050
1288 1 12 . 1 1 14 14 GLY H H 14 7.866 7.866 8.565 -0.699 25050
1289 1 12 . 1 1 15 15 GLU HA H 15 4.305 4.305 4.131 0.174 25050
1290 1 12 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.550 0.349 25050
1291 1 12 . 1 1 15 15 GLU CB C 15 30.697 30.697 31.074 -0.377 25050
1292 1 12 . 1 1 15 15 GLU H H 15 7.719 7.719 7.542 0.177 25050
1293 1 12 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.118 -0.191 25050
1294 1 12 . 1 1 16 16 TRP CA C 16 54.769 54.769 55.524 -0.755 25050
1295 1 12 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.593 -1.151 25050
1296 1 12 . 1 1 16 16 TRP H H 16 8.423 8.423 7.912 0.511 25050
1297 1 12 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.817 0.239 25050
1298 1 12 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.346 -4.690 25050
1299 1 12 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.382 11.579 25050
1300 1 12 . 1 1 17 17 CYS H H 17 8.749 8.749 8.893 -0.144 25050
1301 1 12 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.464 0.022 25050
1302 1 12 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.501 13.377 25050
1303 1 12 . 1 1 18 18 CYS H H 18 9.360 9.360 8.529 0.831 25050
1304 1 12 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.259 -0.334 25050
1305 1 12 . 1 1 19 19 GLY H H 19 8.577 8.577 8.844 -0.267 25050
1306 1 12 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.489 -0.044 25050
1307 1 12 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.116 -2.538 25050
1308 1 12 . 1 1 20 20 ALA H H 20 8.625 8.625 8.191 0.434 25050
1309 1 12 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.565 -0.197 25050
1310 1 12 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.214 -1.087 25050
1311 1 12 . 1 1 21 21 LEU H H 21 7.637 7.637 7.547 0.090 25050
1312 1 12 . 1 1 22 22 SER HA H 22 4.712 4.712 4.634 0.078 25050
1313 1 12 . 1 1 22 22 SER CB C 22 65.549 65.549 64.919 0.630 25050
1314 1 12 . 1 1 22 22 SER H H 22 9.351 9.351 8.441 0.910 25050
1315 1 12 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.702 0.186 25050
1316 1 12 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.280 -3.371 25050
1317 1 12 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.389 13.064 25050
1318 1 12 . 1 1 23 23 CYS H H 23 8.690 8.690 8.501 0.189 25050
1319 1 12 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.807 0.061 25050
1320 1 12 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.615 -0.402 25050
1321 1 12 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.687 0.646 25050
1322 1 12 . 1 1 24 24 LYS H H 24 9.202 9.202 8.496 0.706 25050
1323 1 12 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.491 -0.324 25050
1324 1 12 . 1 1 25 25 TYR CA C 25 59.208 59.208 58.855 0.353 25050
1325 1 12 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.660 -1.681 25050
1326 1 12 . 1 1 25 25 TYR H H 25 8.912 8.912 8.604 0.308 25050
1327 1 12 . 1 1 26 26 SER HA H 26 4.597 4.597 4.653 -0.056 25050
1328 1 12 . 1 1 26 26 SER CB C 26 63.103 63.103 63.103 -0.000 25050
1329 1 12 . 1 1 26 26 SER H H 26 8.099 8.099 8.544 -0.445 25050
1330 1 12 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.781 0.014 25050
1331 1 12 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.879 -0.139 25050
1332 1 12 . 1 1 27 27 ILE H H 27 8.475 8.475 8.524 -0.049 25050
1333 1 12 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.039 0.001 25050
1334 1 12 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.278 -1.644 25050
1335 1 12 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.713 0.242 25050
1336 1 12 . 1 1 28 28 LYS H H 28 7.774 7.774 8.344 -0.570 25050
1337 1 12 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.331 -0.136 25050
1338 1 12 . 1 1 29 29 ARG CB C 29 30.228 30.228 29.831 0.397 25050
1339 1 12 . 1 1 29 29 ARG H H 29 7.301 7.301 7.619 -0.318 25050
1340 1 12 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.333 -0.141 25050
1341 1 12 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.029 0.600 25050
1342 1 12 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.422 0.040 25050
1343 1 12 . 1 1 30 30 ASN H H 30 8.223 8.223 7.913 0.310 25050
1344 1 12 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.547 0.012 25050
1345 1 12 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.339 -0.028 25050
1346 1 12 . 1 1 31 31 LEU H H 31 7.075 7.075 7.431 -0.356 25050
1347 1 12 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.771 -0.037 25050
1348 1 12 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.618 -0.680 25050
1349 1 12 . 1 1 32 32 LYS H H 32 8.248 8.248 8.245 0.003 25050
1350 1 12 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.147 -0.155 25050
1351 1 12 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.385 0.119 25050
1352 1 12 . 1 1 33 33 ILE H H 33 8.480 8.480 8.189 0.291 25050
1353 1 12 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.332 -0.224 25050
1354 1 12 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.877 -5.460 25050
1355 1 12 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.338 11.853 25050
1356 1 12 . 1 1 34 34 CYS H H 34 7.758 7.758 7.923 -0.165 25050
1357 1 13 . 1 1 2 2 CYS HA H 2 4.923 4.923 4.967 -0.044 25050
1358 1 13 . 1 1 2 2 CYS CA C 2 53.693 53.693 56.780 -3.087 25050
1359 1 13 . 1 1 2 2 CYS CB C 2 42.729 42.729 29.886 12.844 25050
1360 1 13 . 1 1 2 2 CYS H H 2 8.404 8.404 8.145 0.259 25050
1361 1 13 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.354 -0.425 25050
1362 1 13 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.174 -0.026 25050
1363 1 13 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.882 -0.842 25050
1364 1 13 . 1 1 3 3 ILE H H 3 8.924 8.924 8.456 0.468 25050
1365 1 13 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.398 -0.429 25050
1366 1 13 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.559 -0.735 25050
1367 1 13 . 1 1 4 4 ALA CB C 4 20.002 20.002 19.901 0.101 25050
1368 1 13 . 1 1 4 4 ALA H H 4 7.989 7.989 8.648 -0.659 25050
1369 1 13 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.138 -0.400 25050
1370 1 13 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.009 0.055 25050
1371 1 13 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.700 1.480 25050
1372 1 13 . 1 1 5 5 LYS H H 5 7.690 7.690 8.601 -0.911 25050
1373 1 13 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.647 -0.496 25050
1374 1 13 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.354 0.545 25050
1375 1 13 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.014 -3.334 25050
1376 1 13 . 1 1 6 6 ASN H H 6 9.818 9.818 8.645 1.173 25050
1377 1 13 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.520 -0.013 25050
1378 1 13 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.375 -1.286 25050
1379 1 13 . 1 1 7 7 LYS H H 7 7.801 7.801 7.630 0.171 25050
1380 1 13 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.391 0.308 25050
1381 1 13 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.037 6.307 25050
1382 1 13 . 1 1 8 8 GLU H H 8 8.370 8.370 8.521 -0.151 25050
1383 1 13 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.630 0.240 25050
1384 1 13 . 1 1 9 9 CYS CA C 9 53.222 53.222 58.443 -5.221 25050
1385 1 13 . 1 1 9 9 CYS CB C 9 47.025 47.025 27.952 19.073 25050
1386 1 13 . 1 1 9 9 CYS H H 9 8.157 8.157 8.422 -0.265 25050
1387 1 13 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.614 -0.395 25050
1388 1 13 . 1 1 10 10 ALA CA C 10 51.034 51.034 51.452 -0.417 25050
1389 1 13 . 1 1 10 10 ALA CB C 10 20.222 20.222 19.661 0.561 25050
1390 1 13 . 1 1 10 10 ALA H H 10 8.169 8.169 8.120 0.049 25050
1391 1 13 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.417 0.175 25050
1392 1 13 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.145 -0.823 25050
1393 1 13 . 1 1 11 11 TRP H H 11 8.070 8.070 8.837 -0.767 25050
1394 1 13 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.659 -0.148 25050
1395 1 13 . 1 1 12 12 PHE CB C 12 37.701 37.701 39.966 -2.265 25050
1396 1 13 . 1 1 12 12 PHE H H 12 8.019 8.019 7.752 0.267 25050
1397 1 13 . 1 1 13 13 SER HA H 13 4.366 4.366 4.352 0.014 25050
1398 1 13 . 1 1 13 13 SER CB C 13 63.656 63.656 63.517 0.138 25050
1399 1 13 . 1 1 13 13 SER H H 13 7.860 7.860 7.856 0.004 25050
1400 1 13 . 1 1 14 14 GLY CA C 14 44.585 44.585 45.130 -0.545 25050
1401 1 13 . 1 1 14 14 GLY H H 14 7.866 7.866 8.517 -0.651 25050
1402 1 13 . 1 1 15 15 GLU HA H 15 4.305 4.305 4.746 -0.441 25050
1403 1 13 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.927 -0.028 25050
1404 1 13 . 1 1 15 15 GLU CB C 15 30.697 30.697 31.135 -0.438 25050
1405 1 13 . 1 1 15 15 GLU H H 15 7.719 7.719 7.473 0.246 25050
1406 1 13 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.029 -0.102 25050
1407 1 13 . 1 1 16 16 TRP CA C 16 54.769 54.769 56.507 -1.738 25050
1408 1 13 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.954 -1.512 25050
1409 1 13 . 1 1 16 16 TRP H H 16 8.423 8.423 8.378 0.045 25050
1410 1 13 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.980 0.076 25050
1411 1 13 . 1 1 17 17 CYS CA C 17 54.656 54.656 58.984 -4.328 25050
1412 1 13 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.451 11.510 25050
1413 1 13 . 1 1 17 17 CYS H H 17 8.749 8.749 8.925 -0.176 25050
1414 1 13 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.413 0.073 25050
1415 1 13 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.471 13.407 25050
1416 1 13 . 1 1 18 18 CYS H H 18 9.360 9.360 8.525 0.835 25050
1417 1 13 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.205 -0.280 25050
1418 1 13 . 1 1 19 19 GLY H H 19 8.577 8.577 8.830 -0.253 25050
1419 1 13 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.548 -0.103 25050
1420 1 13 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.117 -2.539 25050
1421 1 13 . 1 1 20 20 ALA H H 20 8.625 8.625 8.221 0.404 25050
1422 1 13 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.659 -0.291 25050
1423 1 13 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.902 -1.775 25050
1424 1 13 . 1 1 21 21 LEU H H 21 7.637 7.637 7.626 0.011 25050
1425 1 13 . 1 1 22 22 SER HA H 22 4.712 4.712 4.748 -0.036 25050
1426 1 13 . 1 1 22 22 SER CB C 22 65.549 65.549 65.441 0.108 25050
1427 1 13 . 1 1 22 22 SER H H 22 9.351 9.351 8.448 0.903 25050
1428 1 13 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.670 0.218 25050
1429 1 13 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.209 -3.300 25050
1430 1 13 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.423 13.030 25050
1431 1 13 . 1 1 23 23 CYS H H 23 8.690 8.690 8.611 0.079 25050
1432 1 13 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.844 0.024 25050
1433 1 13 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.450 -0.237 25050
1434 1 13 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.330 1.003 25050
1435 1 13 . 1 1 24 24 LYS H H 24 9.202 9.202 8.539 0.663 25050
1436 1 13 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.482 -0.315 25050
1437 1 13 . 1 1 25 25 TYR CA C 25 59.208 59.208 59.149 0.059 25050
1438 1 13 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.304 -1.325 25050
1439 1 13 . 1 1 25 25 TYR H H 25 8.912 8.912 8.690 0.222 25050
1440 1 13 . 1 1 26 26 SER HA H 26 4.597 4.597 4.677 -0.080 25050
1441 1 13 . 1 1 26 26 SER CB C 26 63.103 63.103 63.201 -0.098 25050
1442 1 13 . 1 1 26 26 SER H H 26 8.099 8.099 8.499 -0.400 25050
1443 1 13 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.849 -0.054 25050
1444 1 13 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.949 -0.208 25050
1445 1 13 . 1 1 27 27 ILE H H 27 8.475 8.475 8.616 -0.141 25050
1446 1 13 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.064 -0.024 25050
1447 1 13 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.287 -1.653 25050
1448 1 13 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.596 0.359 25050
1449 1 13 . 1 1 28 28 LYS H H 28 7.774 7.774 8.408 -0.634 25050
1450 1 13 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.365 -0.170 25050
1451 1 13 . 1 1 29 29 ARG CB C 29 30.228 30.228 29.616 0.612 25050
1452 1 13 . 1 1 29 29 ARG H H 29 7.301 7.301 7.975 -0.674 25050
1453 1 13 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.286 -0.094 25050
1454 1 13 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.054 0.575 25050
1455 1 13 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.656 -0.194 25050
1456 1 13 . 1 1 30 30 ASN H H 30 8.223 8.223 7.786 0.437 25050
1457 1 13 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.484 0.075 25050
1458 1 13 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.408 -0.097 25050
1459 1 13 . 1 1 31 31 LEU H H 31 7.075 7.075 7.574 -0.499 25050
1460 1 13 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.792 -0.058 25050
1461 1 13 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.849 -0.911 25050
1462 1 13 . 1 1 32 32 LYS H H 32 8.248 8.248 8.188 0.060 25050
1463 1 13 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.097 -0.105 25050
1464 1 13 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.270 0.234 25050
1465 1 13 . 1 1 33 33 ILE H H 33 8.480 8.480 8.262 0.218 25050
1466 1 13 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.358 -0.250 25050
1467 1 13 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.523 -5.105 25050
1468 1 13 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.327 11.864 25050
1469 1 13 . 1 1 34 34 CYS H H 34 7.758 7.758 7.899 -0.141 25050
1470 1 14 . 1 1 2 2 CYS HA H 2 4.923 4.923 5.097 -0.174 25050
1471 1 14 . 1 1 2 2 CYS CA C 2 53.693 53.693 57.323 -3.630 25050
1472 1 14 . 1 1 2 2 CYS CB C 2 42.729 42.729 29.587 13.142 25050
1473 1 14 . 1 1 2 2 CYS H H 2 8.404 8.404 7.796 0.608 25050
1474 1 14 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.337 -0.408 25050
1475 1 14 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.347 -0.199 25050
1476 1 14 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.663 -0.623 25050
1477 1 14 . 1 1 3 3 ILE H H 3 8.924 8.924 8.360 0.564 25050
1478 1 14 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.399 -0.430 25050
1479 1 14 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.468 -0.644 25050
1480 1 14 . 1 1 4 4 ALA CB C 4 20.002 20.002 19.999 0.003 25050
1481 1 14 . 1 1 4 4 ALA H H 4 7.989 7.989 8.655 -0.666 25050
1482 1 14 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.153 -0.415 25050
1483 1 14 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.147 -0.083 25050
1484 1 14 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.596 1.584 25050
1485 1 14 . 1 1 5 5 LYS H H 5 7.690 7.690 8.433 -0.743 25050
1486 1 14 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.684 -0.533 25050
1487 1 14 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.158 0.741 25050
1488 1 14 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.717 -4.037 25050
1489 1 14 . 1 1 6 6 ASN H H 6 9.818 9.818 8.704 1.114 25050
1490 1 14 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.490 0.017 25050
1491 1 14 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.236 -1.147 25050
1492 1 14 . 1 1 7 7 LYS H H 7 7.801 7.801 7.520 0.281 25050
1493 1 14 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.521 0.178 25050
1494 1 14 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.184 6.160 25050
1495 1 14 . 1 1 8 8 GLU H H 8 8.370 8.370 8.517 -0.147 25050
1496 1 14 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.914 -0.044 25050
1497 1 14 . 1 1 9 9 CYS CA C 9 53.222 53.222 56.227 -3.006 25050
1498 1 14 . 1 1 9 9 CYS CB C 9 47.025 47.025 30.430 16.595 25050
1499 1 14 . 1 1 9 9 CYS H H 9 8.157 8.157 8.174 -0.017 25050
1500 1 14 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.720 -0.501 25050
1501 1 14 . 1 1 10 10 ALA CA C 10 51.034 51.034 51.029 0.005 25050
1502 1 14 . 1 1 10 10 ALA CB C 10 20.222 20.222 20.187 0.035 25050
1503 1 14 . 1 1 10 10 ALA H H 10 8.169 8.169 8.332 -0.163 25050
1504 1 14 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.542 0.050 25050
1505 1 14 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.123 -0.800 25050
1506 1 14 . 1 1 11 11 TRP H H 11 8.070 8.070 8.929 -0.859 25050
1507 1 14 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.798 -0.287 25050
1508 1 14 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.255 -2.554 25050
1509 1 14 . 1 1 12 12 PHE H H 12 8.019 8.019 7.820 0.199 25050
1510 1 14 . 1 1 13 13 SER HA H 13 4.366 4.366 4.334 0.032 25050
1511 1 14 . 1 1 13 13 SER CB C 13 63.656 63.656 63.623 0.033 25050
1512 1 14 . 1 1 13 13 SER H H 13 7.860 7.860 7.997 -0.137 25050
1513 1 14 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.880 -0.295 25050
1514 1 14 . 1 1 14 14 GLY H H 14 7.866 7.866 8.584 -0.718 25050
1515 1 14 . 1 1 15 15 GLU HA H 15 4.305 4.305 3.881 0.424 25050
1516 1 14 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.871 0.028 25050
1517 1 14 . 1 1 15 15 GLU CB C 15 30.697 30.697 31.035 -0.338 25050
1518 1 14 . 1 1 15 15 GLU H H 15 7.719 7.719 7.323 0.396 25050
1519 1 14 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.082 -0.155 25050
1520 1 14 . 1 1 16 16 TRP CA C 16 54.769 54.769 54.678 0.091 25050
1521 1 14 . 1 1 16 16 TRP CB C 16 30.442 30.442 30.969 -0.527 25050
1522 1 14 . 1 1 16 16 TRP H H 16 8.423 8.423 7.910 0.513 25050
1523 1 14 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.782 0.274 25050
1524 1 14 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.340 -4.684 25050
1525 1 14 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.495 11.466 25050
1526 1 14 . 1 1 17 17 CYS H H 17 8.749 8.749 8.911 -0.162 25050
1527 1 14 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.445 0.041 25050
1528 1 14 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.567 13.311 25050
1529 1 14 . 1 1 18 18 CYS H H 18 9.360 9.360 8.520 0.840 25050
1530 1 14 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.255 -0.330 25050
1531 1 14 . 1 1 19 19 GLY H H 19 8.577 8.577 8.824 -0.247 25050
1532 1 14 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.492 -0.047 25050
1533 1 14 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.038 -2.460 25050
1534 1 14 . 1 1 20 20 ALA H H 20 8.625 8.625 8.183 0.442 25050
1535 1 14 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.580 -0.212 25050
1536 1 14 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.488 -1.361 25050
1537 1 14 . 1 1 21 21 LEU H H 21 7.637 7.637 7.574 0.063 25050
1538 1 14 . 1 1 22 22 SER HA H 22 4.712 4.712 4.731 -0.019 25050
1539 1 14 . 1 1 22 22 SER CB C 22 65.549 65.549 65.160 0.389 25050
1540 1 14 . 1 1 22 22 SER H H 22 9.351 9.351 8.457 0.894 25050
1541 1 14 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.607 0.281 25050
1542 1 14 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.500 -3.591 25050
1543 1 14 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.618 12.835 25050
1544 1 14 . 1 1 23 23 CYS H H 23 8.690 8.690 8.543 0.147 25050
1545 1 14 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.887 -0.019 25050
1546 1 14 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.511 -0.298 25050
1547 1 14 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.561 0.772 25050
1548 1 14 . 1 1 24 24 LYS H H 24 9.202 9.202 8.811 0.391 25050
1549 1 14 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.526 -0.359 25050
1550 1 14 . 1 1 25 25 TYR CA C 25 59.208 59.208 59.092 0.116 25050
1551 1 14 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.228 -1.249 25050
1552 1 14 . 1 1 25 25 TYR H H 25 8.912 8.912 8.730 0.182 25050
1553 1 14 . 1 1 26 26 SER HA H 26 4.597 4.597 4.686 -0.089 25050
1554 1 14 . 1 1 26 26 SER CB C 26 63.103 63.103 63.162 -0.059 25050
1555 1 14 . 1 1 26 26 SER H H 26 8.099 8.099 8.536 -0.437 25050
1556 1 14 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.836 -0.041 25050
1557 1 14 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.767 -0.027 25050
1558 1 14 . 1 1 27 27 ILE H H 27 8.475 8.475 8.574 -0.099 25050
1559 1 14 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.058 -0.018 25050
1560 1 14 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.120 -1.486 25050
1561 1 14 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.498 0.457 25050
1562 1 14 . 1 1 28 28 LYS H H 28 7.774 7.774 8.483 -0.709 25050
1563 1 14 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.353 -0.158 25050
1564 1 14 . 1 1 29 29 ARG CB C 29 30.228 30.228 29.666 0.562 25050
1565 1 14 . 1 1 29 29 ARG H H 29 7.301 7.301 7.858 -0.557 25050
1566 1 14 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.292 -0.100 25050
1567 1 14 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.077 0.552 25050
1568 1 14 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.691 -0.229 25050
1569 1 14 . 1 1 30 30 ASN H H 30 8.223 8.223 7.949 0.274 25050
1570 1 14 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.534 0.025 25050
1571 1 14 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.878 -0.567 25050
1572 1 14 . 1 1 31 31 LEU H H 31 7.075 7.075 7.571 -0.496 25050
1573 1 14 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.794 -0.060 25050
1574 1 14 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.988 -1.050 25050
1575 1 14 . 1 1 32 32 LYS H H 32 8.248 8.248 8.458 -0.210 25050
1576 1 14 . 1 1 33 33 ILE HA H 33 4.992 4.992 4.998 -0.006 25050
1577 1 14 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.311 0.193 25050
1578 1 14 . 1 1 33 33 ILE H H 33 8.480 8.480 8.279 0.201 25050
1579 1 14 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.398 -0.290 25050
1580 1 14 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.687 -5.269 25050
1581 1 14 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.593 11.598 25050
1582 1 14 . 1 1 34 34 CYS H H 34 7.758 7.758 7.874 -0.116 25050
1583 1 15 . 1 1 2 2 CYS HA H 2 4.923 4.923 5.340 -0.417 25050
1584 1 15 . 1 1 2 2 CYS CA C 2 53.693 53.693 56.434 -2.741 25050
1585 1 15 . 1 1 2 2 CYS CB C 2 42.729 42.729 29.823 12.906 25050
1586 1 15 . 1 1 2 2 CYS H H 2 8.404 8.404 7.650 0.754 25050
1587 1 15 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.274 -0.345 25050
1588 1 15 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.335 -0.187 25050
1589 1 15 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.822 -0.782 25050
1590 1 15 . 1 1 3 3 ILE H H 3 8.924 8.924 8.450 0.474 25050
1591 1 15 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.401 -0.432 25050
1592 1 15 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.428 -0.604 25050
1593 1 15 . 1 1 4 4 ALA CB C 4 20.002 20.002 20.009 -0.007 25050
1594 1 15 . 1 1 4 4 ALA H H 4 7.989 7.989 8.660 -0.671 25050
1595 1 15 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.144 -0.406 25050
1596 1 15 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.049 0.015 25050
1597 1 15 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.792 1.388 25050
1598 1 15 . 1 1 5 5 LYS H H 5 7.690 7.690 8.538 -0.848 25050
1599 1 15 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.669 -0.518 25050
1600 1 15 . 1 1 6 6 ASN CA C 6 54.899 54.899 53.966 0.933 25050
1601 1 15 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.480 -3.800 25050
1602 1 15 . 1 1 6 6 ASN H H 6 9.818 9.818 8.656 1.162 25050
1603 1 15 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.518 -0.011 25050
1604 1 15 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.359 -1.270 25050
1605 1 15 . 1 1 7 7 LYS H H 7 7.801 7.801 7.689 0.112 25050
1606 1 15 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.438 0.261 25050
1607 1 15 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.093 6.251 25050
1608 1 15 . 1 1 8 8 GLU H H 8 8.370 8.370 8.519 -0.149 25050
1609 1 15 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.746 0.124 25050
1610 1 15 . 1 1 9 9 CYS CA C 9 53.222 53.222 58.462 -5.240 25050
1611 1 15 . 1 1 9 9 CYS CB C 9 47.025 47.025 28.119 18.905 25050
1612 1 15 . 1 1 9 9 CYS H H 9 8.157 8.157 8.423 -0.266 25050
1613 1 15 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.651 -0.432 25050
1614 1 15 . 1 1 10 10 ALA CA C 10 51.034 51.034 51.551 -0.517 25050
1615 1 15 . 1 1 10 10 ALA CB C 10 20.222 20.222 19.674 0.548 25050
1616 1 15 . 1 1 10 10 ALA H H 10 8.169 8.169 8.164 0.005 25050
1617 1 15 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.557 0.035 25050
1618 1 15 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.197 -0.874 25050
1619 1 15 . 1 1 11 11 TRP H H 11 8.070 8.070 8.903 -0.833 25050
1620 1 15 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.803 -0.292 25050
1621 1 15 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.366 -2.665 25050
1622 1 15 . 1 1 12 12 PHE H H 12 8.019 8.019 7.813 0.206 25050
1623 1 15 . 1 1 13 13 SER HA H 13 4.366 4.366 4.301 0.065 25050
1624 1 15 . 1 1 13 13 SER CB C 13 63.656 63.656 63.628 0.028 25050
1625 1 15 . 1 1 13 13 SER H H 13 7.860 7.860 7.994 -0.134 25050
1626 1 15 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.733 -0.148 25050
1627 1 15 . 1 1 14 14 GLY H H 14 7.866 7.866 8.664 -0.798 25050
1628 1 15 . 1 1 15 15 GLU HA H 15 4.305 4.305 3.897 0.408 25050
1629 1 15 . 1 1 15 15 GLU CA C 15 54.899 54.899 55.176 -0.277 25050
1630 1 15 . 1 1 15 15 GLU CB C 15 30.697 30.697 31.111 -0.414 25050
1631 1 15 . 1 1 15 15 GLU H H 15 7.719 7.719 7.307 0.412 25050
1632 1 15 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.080 -0.153 25050
1633 1 15 . 1 1 16 16 TRP CA C 16 54.769 54.769 54.629 0.140 25050
1634 1 15 . 1 1 16 16 TRP CB C 16 30.442 30.442 30.836 -0.394 25050
1635 1 15 . 1 1 16 16 TRP H H 16 8.423 8.423 7.968 0.455 25050
1636 1 15 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.754 0.302 25050
1637 1 15 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.160 -4.504 25050
1638 1 15 . 1 1 17 17 CYS CB C 17 38.961 38.961 28.057 10.904 25050
1639 1 15 . 1 1 17 17 CYS H H 17 8.749 8.749 8.885 -0.136 25050
1640 1 15 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.516 -0.030 25050
1641 1 15 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.772 13.106 25050
1642 1 15 . 1 1 18 18 CYS H H 18 9.360 9.360 8.557 0.803 25050
1643 1 15 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.302 -0.377 25050
1644 1 15 . 1 1 19 19 GLY H H 19 8.577 8.577 8.829 -0.252 25050
1645 1 15 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.477 -0.032 25050
1646 1 15 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.152 -2.574 25050
1647 1 15 . 1 1 20 20 ALA H H 20 8.625 8.625 8.180 0.445 25050
1648 1 15 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.528 -0.160 25050
1649 1 15 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.186 -1.059 25050
1650 1 15 . 1 1 21 21 LEU H H 21 7.637 7.637 7.560 0.077 25050
1651 1 15 . 1 1 22 22 SER HA H 22 4.712 4.712 4.682 0.030 25050
1652 1 15 . 1 1 22 22 SER CB C 22 65.549 65.549 65.059 0.490 25050
1653 1 15 . 1 1 22 22 SER H H 22 9.351 9.351 8.424 0.927 25050
1654 1 15 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.746 0.142 25050
1655 1 15 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.125 -3.216 25050
1656 1 15 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.803 12.650 25050
1657 1 15 . 1 1 23 23 CYS H H 23 8.690 8.690 8.686 0.004 25050
1658 1 15 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.906 -0.038 25050
1659 1 15 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.789 -0.576 25050
1660 1 15 . 1 1 24 24 LYS CB C 24 36.333 36.333 36.077 0.257 25050
1661 1 15 . 1 1 24 24 LYS H H 24 9.202 9.202 8.870 0.332 25050
1662 1 15 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.518 -0.351 25050
1663 1 15 . 1 1 25 25 TYR CA C 25 59.208 59.208 59.023 0.185 25050
1664 1 15 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.233 -1.254 25050
1665 1 15 . 1 1 25 25 TYR H H 25 8.912 8.912 8.751 0.161 25050
1666 1 15 . 1 1 26 26 SER HA H 26 4.597 4.597 4.666 -0.069 25050
1667 1 15 . 1 1 26 26 SER CB C 26 63.103 63.103 63.359 -0.256 25050
1668 1 15 . 1 1 26 26 SER H H 26 8.099 8.099 8.550 -0.451 25050
1669 1 15 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.848 -0.053 25050
1670 1 15 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.940 -0.200 25050
1671 1 15 . 1 1 27 27 ILE H H 27 8.475 8.475 8.654 -0.179 25050
1672 1 15 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.063 -0.023 25050
1673 1 15 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.291 -1.657 25050
1674 1 15 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.581 0.374 25050
1675 1 15 . 1 1 28 28 LYS H H 28 7.774 7.774 8.426 -0.652 25050
1676 1 15 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.375 -0.180 25050
1677 1 15 . 1 1 29 29 ARG CB C 29 30.228 30.228 29.667 0.561 25050
1678 1 15 . 1 1 29 29 ARG H H 29 7.301 7.301 7.958 -0.657 25050
1679 1 15 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.282 -0.090 25050
1680 1 15 . 1 1 30 30 ASN CA C 30 54.629 54.629 53.985 0.644 25050
1681 1 15 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.425 0.038 25050
1682 1 15 . 1 1 30 30 ASN H H 30 8.223 8.223 7.802 0.421 25050
1683 1 15 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.525 0.034 25050
1684 1 15 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.312 -0.001 25050
1685 1 15 . 1 1 31 31 LEU H H 31 7.075 7.075 7.504 -0.429 25050
1686 1 15 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.821 -0.087 25050
1687 1 15 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.834 -0.896 25050
1688 1 15 . 1 1 32 32 LYS H H 32 8.248 8.248 8.212 0.036 25050
1689 1 15 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.140 -0.148 25050
1690 1 15 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.305 0.199 25050
1691 1 15 . 1 1 33 33 ILE H H 33 8.480 8.480 8.332 0.148 25050
1692 1 15 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.380 -0.272 25050
1693 1 15 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.777 -5.359 25050
1694 1 15 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.235 11.956 25050
1695 1 15 . 1 1 34 34 CYS H H 34 7.758 7.758 7.872 -0.114 25050
1696 1 16 . 1 1 2 2 CYS HA H 2 4.923 4.923 4.969 -0.046 25050
1697 1 16 . 1 1 2 2 CYS CA C 2 53.693 53.693 56.884 -3.191 25050
1698 1 16 . 1 1 2 2 CYS CB C 2 42.729 42.729 30.347 12.382 25050
1699 1 16 . 1 1 2 2 CYS H H 2 8.404 8.404 8.337 0.067 25050
1700 1 16 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.306 -0.377 25050
1701 1 16 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.298 -0.151 25050
1702 1 16 . 1 1 3 3 ILE CB C 3 38.040 38.040 37.863 0.177 25050
1703 1 16 . 1 1 3 3 ILE H H 3 8.924 8.924 8.280 0.644 25050
1704 1 16 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.348 -0.379 25050
1705 1 16 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.415 -0.591 25050
1706 1 16 . 1 1 4 4 ALA CB C 4 20.002 20.002 20.051 -0.049 25050
1707 1 16 . 1 1 4 4 ALA H H 4 7.989 7.989 8.610 -0.621 25050
1708 1 16 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.231 -0.493 25050
1709 1 16 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.220 -0.156 25050
1710 1 16 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.448 1.732 25050
1711 1 16 . 1 1 5 5 LYS H H 5 7.690 7.690 8.532 -0.842 25050
1712 1 16 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.684 -0.533 25050
1713 1 16 . 1 1 6 6 ASN CA C 6 54.899 54.899 53.792 1.107 25050
1714 1 16 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.187 -3.507 25050
1715 1 16 . 1 1 6 6 ASN H H 6 9.818 9.818 8.606 1.212 25050
1716 1 16 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.510 -0.003 25050
1717 1 16 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.350 -1.261 25050
1718 1 16 . 1 1 7 7 LYS H H 7 7.801 7.801 7.705 0.096 25050
1719 1 16 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.496 0.203 25050
1720 1 16 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.250 6.094 25050
1721 1 16 . 1 1 8 8 GLU H H 8 8.370 8.370 8.544 -0.174 25050
1722 1 16 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.941 -0.071 25050
1723 1 16 . 1 1 9 9 CYS CA C 9 53.222 53.222 56.610 -3.388 25050
1724 1 16 . 1 1 9 9 CYS CB C 9 47.025 47.025 30.258 16.767 25050
1725 1 16 . 1 1 9 9 CYS H H 9 8.157 8.157 8.172 -0.015 25050
1726 1 16 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.721 -0.502 25050
1727 1 16 . 1 1 10 10 ALA CA C 10 51.034 51.034 50.840 0.194 25050
1728 1 16 . 1 1 10 10 ALA CB C 10 20.222 20.222 21.256 -1.034 25050
1729 1 16 . 1 1 10 10 ALA H H 10 8.169 8.169 8.211 -0.042 25050
1730 1 16 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.500 0.092 25050
1731 1 16 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.370 -1.047 25050
1732 1 16 . 1 1 11 11 TRP H H 11 8.070 8.070 8.829 -0.759 25050
1733 1 16 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.730 -0.219 25050
1734 1 16 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.794 -3.093 25050
1735 1 16 . 1 1 12 12 PHE H H 12 8.019 8.019 7.693 0.326 25050
1736 1 16 . 1 1 13 13 SER HA H 13 4.366 4.366 4.308 0.058 25050
1737 1 16 . 1 1 13 13 SER CB C 13 63.656 63.656 63.864 -0.207 25050
1738 1 16 . 1 1 13 13 SER H H 13 7.860 7.860 8.106 -0.246 25050
1739 1 16 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.722 -0.137 25050
1740 1 16 . 1 1 14 14 GLY H H 14 7.866 7.866 8.567 -0.701 25050
1741 1 16 . 1 1 15 15 GLU HA H 15 4.305 4.305 4.137 0.168 25050
1742 1 16 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.541 0.358 25050
1743 1 16 . 1 1 15 15 GLU CB C 15 30.697 30.697 31.023 -0.326 25050
1744 1 16 . 1 1 15 15 GLU H H 15 7.719 7.719 7.595 0.124 25050
1745 1 16 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.140 -0.213 25050
1746 1 16 . 1 1 16 16 TRP CA C 16 54.769 54.769 55.625 -0.856 25050
1747 1 16 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.611 -1.169 25050
1748 1 16 . 1 1 16 16 TRP H H 16 8.423 8.423 7.952 0.471 25050
1749 1 16 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.756 0.300 25050
1750 1 16 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.400 -4.744 25050
1751 1 16 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.396 11.565 25050
1752 1 16 . 1 1 17 17 CYS H H 17 8.749 8.749 8.858 -0.109 25050
1753 1 16 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.480 0.006 25050
1754 1 16 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.756 13.122 25050
1755 1 16 . 1 1 18 18 CYS H H 18 9.360 9.360 8.490 0.870 25050
1756 1 16 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.259 -0.334 25050
1757 1 16 . 1 1 19 19 GLY H H 19 8.577 8.577 8.846 -0.269 25050
1758 1 16 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.481 -0.036 25050
1759 1 16 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.162 -2.584 25050
1760 1 16 . 1 1 20 20 ALA H H 20 8.625 8.625 8.186 0.439 25050
1761 1 16 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.525 -0.157 25050
1762 1 16 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.193 -1.066 25050
1763 1 16 . 1 1 21 21 LEU H H 21 7.637 7.637 7.574 0.063 25050
1764 1 16 . 1 1 22 22 SER HA H 22 4.712 4.712 4.588 0.124 25050
1765 1 16 . 1 1 22 22 SER CB C 22 65.549 65.549 64.874 0.675 25050
1766 1 16 . 1 1 22 22 SER H H 22 9.351 9.351 8.351 1.000 25050
1767 1 16 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.742 0.146 25050
1768 1 16 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.284 -3.375 25050
1769 1 16 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.761 12.692 25050
1770 1 16 . 1 1 23 23 CYS H H 23 8.690 8.690 8.421 0.269 25050
1771 1 16 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.802 0.066 25050
1772 1 16 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.864 -0.651 25050
1773 1 16 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.785 0.548 25050
1774 1 16 . 1 1 24 24 LYS H H 24 9.202 9.202 8.466 0.736 25050
1775 1 16 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.487 -0.320 25050
1776 1 16 . 1 1 25 25 TYR CA C 25 59.208 59.208 58.923 0.285 25050
1777 1 16 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.731 -1.752 25050
1778 1 16 . 1 1 25 25 TYR H H 25 8.912 8.912 8.570 0.342 25050
1779 1 16 . 1 1 26 26 SER HA H 26 4.597 4.597 4.702 -0.105 25050
1780 1 16 . 1 1 26 26 SER CB C 26 63.103 63.103 63.157 -0.054 25050
1781 1 16 . 1 1 26 26 SER H H 26 8.099 8.099 8.531 -0.432 25050
1782 1 16 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.831 -0.036 25050
1783 1 16 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.787 -0.047 25050
1784 1 16 . 1 1 27 27 ILE H H 27 8.475 8.475 8.605 -0.130 25050
1785 1 16 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.058 -0.018 25050
1786 1 16 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.095 -1.461 25050
1787 1 16 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.635 0.320 25050
1788 1 16 . 1 1 28 28 LYS H H 28 7.774 7.774 8.402 -0.628 25050
1789 1 16 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.356 -0.161 25050
1790 1 16 . 1 1 29 29 ARG CB C 29 30.228 30.228 30.105 0.123 25050
1791 1 16 . 1 1 29 29 ARG H H 29 7.301 7.301 7.485 -0.184 25050
1792 1 16 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.331 -0.139 25050
1793 1 16 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.380 0.249 25050
1794 1 16 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.924 -0.462 25050
1795 1 16 . 1 1 30 30 ASN H H 30 8.223 8.223 8.051 0.172 25050
1796 1 16 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.499 0.060 25050
1797 1 16 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.686 -0.375 25050
1798 1 16 . 1 1 31 31 LEU H H 31 7.075 7.075 7.432 -0.357 25050
1799 1 16 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.757 -0.023 25050
1800 1 16 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.557 -0.619 25050
1801 1 16 . 1 1 32 32 LYS H H 32 8.248 8.248 8.245 0.003 25050
1802 1 16 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.017 -0.025 25050
1803 1 16 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.375 0.129 25050
1804 1 16 . 1 1 33 33 ILE H H 33 8.480 8.480 8.114 0.366 25050
1805 1 16 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.364 -0.256 25050
1806 1 16 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.358 -4.940 25050
1807 1 16 . 1 1 34 34 CYS CB C 34 39.191 39.191 26.919 12.272 25050
1808 1 16 . 1 1 34 34 CYS H H 34 7.758 7.758 8.023 -0.265 25050
1809 1 17 . 1 1 2 2 CYS HA H 2 4.923 4.923 4.957 -0.034 25050
1810 1 17 . 1 1 2 2 CYS CA C 2 53.693 53.693 57.114 -3.421 25050
1811 1 17 . 1 1 2 2 CYS CB C 2 42.729 42.729 30.136 12.593 25050
1812 1 17 . 1 1 2 2 CYS H H 2 8.404 8.404 8.214 0.190 25050
1813 1 17 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.339 -0.410 25050
1814 1 17 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.181 -0.033 25050
1815 1 17 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.313 -0.273 25050
1816 1 17 . 1 1 3 3 ILE H H 3 8.924 8.924 8.350 0.574 25050
1817 1 17 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.401 -0.432 25050
1818 1 17 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.527 -0.703 25050
1819 1 17 . 1 1 4 4 ALA CB C 4 20.002 20.002 19.919 0.083 25050
1820 1 17 . 1 1 4 4 ALA H H 4 7.989 7.989 8.624 -0.635 25050
1821 1 17 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.121 -0.383 25050
1822 1 17 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.248 -0.184 25050
1823 1 17 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.444 1.736 25050
1824 1 17 . 1 1 5 5 LYS H H 5 7.690 7.690 8.566 -0.876 25050
1825 1 17 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.694 -0.543 25050
1826 1 17 . 1 1 6 6 ASN CA C 6 54.899 54.899 53.865 1.034 25050
1827 1 17 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.676 -3.996 25050
1828 1 17 . 1 1 6 6 ASN H H 6 9.818 9.818 8.583 1.235 25050
1829 1 17 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.516 -0.009 25050
1830 1 17 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.395 -1.306 25050
1831 1 17 . 1 1 7 7 LYS H H 7 7.801 7.801 7.707 0.094 25050
1832 1 17 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.462 0.237 25050
1833 1 17 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.140 6.204 25050
1834 1 17 . 1 1 8 8 GLU H H 8 8.370 8.370 8.540 -0.170 25050
1835 1 17 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.796 0.074 25050
1836 1 17 . 1 1 9 9 CYS CA C 9 53.222 53.222 56.253 -3.031 25050
1837 1 17 . 1 1 9 9 CYS CB C 9 47.025 47.025 30.309 16.716 25050
1838 1 17 . 1 1 9 9 CYS H H 9 8.157 8.157 8.228 -0.071 25050
1839 1 17 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.705 -0.486 25050
1840 1 17 . 1 1 10 10 ALA CA C 10 51.034 51.034 50.852 0.182 25050
1841 1 17 . 1 1 10 10 ALA CB C 10 20.222 20.222 21.034 -0.812 25050
1842 1 17 . 1 1 10 10 ALA H H 10 8.169 8.169 7.937 0.232 25050
1843 1 17 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.377 0.215 25050
1844 1 17 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.079 -0.756 25050
1845 1 17 . 1 1 11 11 TRP H H 11 8.070 8.070 8.803 -0.733 25050
1846 1 17 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.630 -0.119 25050
1847 1 17 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.482 -2.781 25050
1848 1 17 . 1 1 12 12 PHE H H 12 8.019 8.019 7.684 0.335 25050
1849 1 17 . 1 1 13 13 SER HA H 13 4.366 4.366 4.319 0.047 25050
1850 1 17 . 1 1 13 13 SER CB C 13 63.656 63.656 63.631 0.025 25050
1851 1 17 . 1 1 13 13 SER H H 13 7.860 7.860 7.963 -0.103 25050
1852 1 17 . 1 1 14 14 GLY CA C 14 44.585 44.585 45.171 -0.586 25050
1853 1 17 . 1 1 14 14 GLY H H 14 7.866 7.866 8.619 -0.753 25050
1854 1 17 . 1 1 15 15 GLU HA H 15 4.305 4.305 4.715 -0.410 25050
1855 1 17 . 1 1 15 15 GLU CA C 15 54.899 54.899 55.216 -0.317 25050
1856 1 17 . 1 1 15 15 GLU CB C 15 30.697 30.697 31.227 -0.530 25050
1857 1 17 . 1 1 15 15 GLU H H 15 7.719 7.719 7.460 0.259 25050
1858 1 17 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.026 -0.099 25050
1859 1 17 . 1 1 16 16 TRP CA C 16 54.769 54.769 55.857 -1.088 25050
1860 1 17 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.126 -0.684 25050
1861 1 17 . 1 1 16 16 TRP H H 16 8.423 8.423 8.284 0.139 25050
1862 1 17 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.985 0.071 25050
1863 1 17 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.004 -4.348 25050
1864 1 17 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.597 11.364 25050
1865 1 17 . 1 1 17 17 CYS H H 17 8.749 8.749 8.865 -0.116 25050
1866 1 17 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.468 0.018 25050
1867 1 17 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.738 13.139 25050
1868 1 17 . 1 1 18 18 CYS H H 18 9.360 9.360 8.543 0.817 25050
1869 1 17 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.259 -0.334 25050
1870 1 17 . 1 1 19 19 GLY H H 19 8.577 8.577 8.817 -0.240 25050
1871 1 17 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.533 -0.088 25050
1872 1 17 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.067 -2.489 25050
1873 1 17 . 1 1 20 20 ALA H H 20 8.625 8.625 8.200 0.425 25050
1874 1 17 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.631 -0.263 25050
1875 1 17 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.687 -1.560 25050
1876 1 17 . 1 1 21 21 LEU H H 21 7.637 7.637 7.602 0.035 25050
1877 1 17 . 1 1 22 22 SER HA H 22 4.712 4.712 4.650 0.062 25050
1878 1 17 . 1 1 22 22 SER CB C 22 65.549 65.549 65.035 0.514 25050
1879 1 17 . 1 1 22 22 SER H H 22 9.351 9.351 8.362 0.989 25050
1880 1 17 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.641 0.247 25050
1881 1 17 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.320 -3.411 25050
1882 1 17 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.697 12.756 25050
1883 1 17 . 1 1 23 23 CYS H H 23 8.690 8.690 8.368 0.322 25050
1884 1 17 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.707 0.161 25050
1885 1 17 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.292 -0.079 25050
1886 1 17 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.519 0.814 25050
1887 1 17 . 1 1 24 24 LYS H H 24 9.202 9.202 8.346 0.856 25050
1888 1 17 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.490 -0.323 25050
1889 1 17 . 1 1 25 25 TYR CA C 25 59.208 59.208 58.779 0.430 25050
1890 1 17 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.616 -1.637 25050
1891 1 17 . 1 1 25 25 TYR H H 25 8.912 8.912 8.559 0.353 25050
1892 1 17 . 1 1 26 26 SER HA H 26 4.597 4.597 4.668 -0.071 25050
1893 1 17 . 1 1 26 26 SER CB C 26 63.103 63.103 63.253 -0.150 25050
1894 1 17 . 1 1 26 26 SER H H 26 8.099 8.099 8.538 -0.439 25050
1895 1 17 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.801 -0.006 25050
1896 1 17 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.870 -0.130 25050
1897 1 17 . 1 1 27 27 ILE H H 27 8.475 8.475 8.564 -0.089 25050
1898 1 17 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.058 -0.018 25050
1899 1 17 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.110 -1.476 25050
1900 1 17 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.529 0.426 25050
1901 1 17 . 1 1 28 28 LYS H H 28 7.774 7.774 8.467 -0.693 25050
1902 1 17 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.348 -0.153 25050
1903 1 17 . 1 1 29 29 ARG CB C 29 30.228 30.228 29.702 0.526 25050
1904 1 17 . 1 1 29 29 ARG H H 29 7.301 7.301 7.862 -0.561 25050
1905 1 17 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.297 -0.105 25050
1906 1 17 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.200 0.429 25050
1907 1 17 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.612 -0.150 25050
1908 1 17 . 1 1 30 30 ASN H H 30 8.223 8.223 7.944 0.279 25050
1909 1 17 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.567 -0.008 25050
1910 1 17 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.004 0.307 25050
1911 1 17 . 1 1 31 31 LEU H H 31 7.075 7.075 7.471 -0.396 25050
1912 1 17 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.770 -0.036 25050
1913 1 17 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.643 -0.705 25050
1914 1 17 . 1 1 32 32 LYS H H 32 8.248 8.248 8.223 0.025 25050
1915 1 17 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.082 -0.090 25050
1916 1 17 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.422 0.082 25050
1917 1 17 . 1 1 33 33 ILE H H 33 8.480 8.480 8.161 0.319 25050
1918 1 17 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.217 -0.109 25050
1919 1 17 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.552 -5.134 25050
1920 1 17 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.058 12.133 25050
1921 1 17 . 1 1 34 34 CYS H H 34 7.758 7.758 7.885 -0.127 25050
1922 1 18 . 1 1 2 2 CYS HA H 2 4.923 4.923 5.164 -0.241 25050
1923 1 18 . 1 1 2 2 CYS CA C 2 53.693 53.693 57.315 -3.622 25050
1924 1 18 . 1 1 2 2 CYS CB C 2 42.729 42.729 30.135 12.594 25050
1925 1 18 . 1 1 2 2 CYS H H 2 8.404 8.404 8.317 0.087 25050
1926 1 18 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.333 -0.404 25050
1927 1 18 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.323 -0.175 25050
1928 1 18 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.686 -0.646 25050
1929 1 18 . 1 1 3 3 ILE H H 3 8.924 8.924 8.352 0.572 25050
1930 1 18 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.400 -0.431 25050
1931 1 18 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.576 -0.752 25050
1932 1 18 . 1 1 4 4 ALA CB C 4 20.002 20.002 19.871 0.131 25050
1933 1 18 . 1 1 4 4 ALA H H 4 7.989 7.989 8.635 -0.646 25050
1934 1 18 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.179 -0.441 25050
1935 1 18 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.260 -0.196 25050
1936 1 18 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.389 1.791 25050
1937 1 18 . 1 1 5 5 LYS H H 5 7.690 7.690 8.587 -0.897 25050
1938 1 18 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.717 -0.566 25050
1939 1 18 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.060 0.839 25050
1940 1 18 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.855 -4.175 25050
1941 1 18 . 1 1 6 6 ASN H H 6 9.818 9.818 8.587 1.231 25050
1942 1 18 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.512 -0.005 25050
1943 1 18 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.277 -1.188 25050
1944 1 18 . 1 1 7 7 LYS H H 7 7.801 7.801 7.576 0.225 25050
1945 1 18 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.527 0.172 25050
1946 1 18 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.175 6.169 25050
1947 1 18 . 1 1 8 8 GLU H H 8 8.370 8.370 8.511 -0.141 25050
1948 1 18 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.913 -0.043 25050
1949 1 18 . 1 1 9 9 CYS CA C 9 53.222 53.222 56.232 -3.010 25050
1950 1 18 . 1 1 9 9 CYS CB C 9 47.025 47.025 30.423 16.602 25050
1951 1 18 . 1 1 9 9 CYS H H 9 8.157 8.157 8.200 -0.043 25050
1952 1 18 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.716 -0.497 25050
1953 1 18 . 1 1 10 10 ALA CA C 10 51.034 51.034 51.030 0.004 25050
1954 1 18 . 1 1 10 10 ALA CB C 10 20.222 20.222 20.173 0.049 25050
1955 1 18 . 1 1 10 10 ALA H H 10 8.169 8.169 8.332 -0.163 25050
1956 1 18 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.541 0.051 25050
1957 1 18 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.118 -0.795 25050
1958 1 18 . 1 1 11 11 TRP H H 11 8.070 8.070 8.930 -0.860 25050
1959 1 18 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.756 -0.245 25050
1960 1 18 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.026 -2.325 25050
1961 1 18 . 1 1 12 12 PHE H H 12 8.019 8.019 7.831 0.188 25050
1962 1 18 . 1 1 13 13 SER HA H 13 4.366 4.366 4.364 0.002 25050
1963 1 18 . 1 1 13 13 SER CB C 13 63.656 63.656 63.522 0.134 25050
1964 1 18 . 1 1 13 13 SER H H 13 7.860 7.860 7.940 -0.080 25050
1965 1 18 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.910 -0.325 25050
1966 1 18 . 1 1 14 14 GLY H H 14 7.866 7.866 8.506 -0.640 25050
1967 1 18 . 1 1 15 15 GLU HA H 15 4.305 4.305 3.923 0.382 25050
1968 1 18 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.572 0.327 25050
1969 1 18 . 1 1 15 15 GLU CB C 15 30.697 30.697 30.790 -0.093 25050
1970 1 18 . 1 1 15 15 GLU H H 15 7.719 7.719 7.365 0.354 25050
1971 1 18 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.133 -0.206 25050
1972 1 18 . 1 1 16 16 TRP CA C 16 54.769 54.769 55.479 -0.710 25050
1973 1 18 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.569 -1.127 25050
1974 1 18 . 1 1 16 16 TRP H H 16 8.423 8.423 8.038 0.385 25050
1975 1 18 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.763 0.293 25050
1976 1 18 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.377 -4.721 25050
1977 1 18 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.490 11.471 25050
1978 1 18 . 1 1 17 17 CYS H H 17 8.749 8.749 8.912 -0.163 25050
1979 1 18 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.455 0.031 25050
1980 1 18 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.557 13.321 25050
1981 1 18 . 1 1 18 18 CYS H H 18 9.360 9.360 8.519 0.841 25050
1982 1 18 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.228 -0.303 25050
1983 1 18 . 1 1 19 19 GLY H H 19 8.577 8.577 8.830 -0.253 25050
1984 1 18 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.494 -0.049 25050
1985 1 18 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.053 -2.475 25050
1986 1 18 . 1 1 20 20 ALA H H 20 8.625 8.625 8.190 0.435 25050
1987 1 18 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.554 -0.186 25050
1988 1 18 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.454 -1.327 25050
1989 1 18 . 1 1 21 21 LEU H H 21 7.637 7.637 7.617 0.020 25050
1990 1 18 . 1 1 22 22 SER HA H 22 4.712 4.712 4.739 -0.027 25050
1991 1 18 . 1 1 22 22 SER CB C 22 65.549 65.549 65.013 0.536 25050
1992 1 18 . 1 1 22 22 SER H H 22 9.351 9.351 8.516 0.835 25050
1993 1 18 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.760 0.128 25050
1994 1 18 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.413 -3.504 25050
1995 1 18 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.822 12.631 25050
1996 1 18 . 1 1 23 23 CYS H H 23 8.690 8.690 8.564 0.126 25050
1997 1 18 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.884 -0.016 25050
1998 1 18 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.521 -0.308 25050
1999 1 18 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.542 0.791 25050
2000 1 18 . 1 1 24 24 LYS H H 24 9.202 9.202 8.847 0.355 25050
2001 1 18 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.539 -0.372 25050
2002 1 18 . 1 1 25 25 TYR CA C 25 59.208 59.208 59.110 0.098 25050
2003 1 18 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.183 -1.204 25050
2004 1 18 . 1 1 25 25 TYR H H 25 8.912 8.912 8.750 0.162 25050
2005 1 18 . 1 1 26 26 SER HA H 26 4.597 4.597 4.699 -0.102 25050
2006 1 18 . 1 1 26 26 SER CB C 26 63.103 63.103 63.219 -0.117 25050
2007 1 18 . 1 1 26 26 SER H H 26 8.099 8.099 8.546 -0.447 25050
2008 1 18 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.824 -0.029 25050
2009 1 18 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.782 -0.042 25050
2010 1 18 . 1 1 27 27 ILE H H 27 8.475 8.475 8.628 -0.153 25050
2011 1 18 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.077 -0.037 25050
2012 1 18 . 1 1 28 28 LYS CA C 28 57.634 57.634 58.921 -1.287 25050
2013 1 18 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.551 0.404 25050
2014 1 18 . 1 1 28 28 LYS H H 28 7.774 7.774 8.442 -0.668 25050
2015 1 18 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.378 -0.183 25050
2016 1 18 . 1 1 29 29 ARG CB C 29 30.228 30.228 29.954 0.274 25050
2017 1 18 . 1 1 29 29 ARG H H 29 7.301 7.301 7.309 -0.008 25050
2018 1 18 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.293 -0.101 25050
2019 1 18 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.050 0.580 25050
2020 1 18 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.452 0.010 25050
2021 1 18 . 1 1 30 30 ASN H H 30 8.223 8.223 7.921 0.302 25050
2022 1 18 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.514 0.045 25050
2023 1 18 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.173 0.138 25050
2024 1 18 . 1 1 31 31 LEU H H 31 7.075 7.075 7.506 -0.431 25050
2025 1 18 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.791 -0.057 25050
2026 1 18 . 1 1 32 32 LYS CB C 32 31.938 31.938 33.081 -1.143 25050
2027 1 18 . 1 1 32 32 LYS H H 32 8.248 8.248 8.441 -0.193 25050
2028 1 18 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.018 -0.026 25050
2029 1 18 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.273 0.231 25050
2030 1 18 . 1 1 33 33 ILE H H 33 8.480 8.480 8.292 0.188 25050
2031 1 18 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.445 -0.337 25050
2032 1 18 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.387 -4.969 25050
2033 1 18 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.578 11.613 25050
2034 1 18 . 1 1 34 34 CYS H H 34 7.758 7.758 7.926 -0.168 25050
2035 1 19 . 1 1 2 2 CYS HA H 2 4.923 4.923 5.180 -0.257 25050
2036 1 19 . 1 1 2 2 CYS CA C 2 53.693 53.693 57.202 -3.509 25050
2037 1 19 . 1 1 2 2 CYS CB C 2 42.729 42.729 29.727 13.002 25050
2038 1 19 . 1 1 2 2 CYS H H 2 8.404 8.404 7.745 0.659 25050
2039 1 19 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.342 -0.413 25050
2040 1 19 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.135 0.013 25050
2041 1 19 . 1 1 3 3 ILE CB C 3 38.040 38.040 39.009 -0.969 25050
2042 1 19 . 1 1 3 3 ILE H H 3 8.924 8.924 8.429 0.495 25050
2043 1 19 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.415 -0.446 25050
2044 1 19 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.420 -0.596 25050
2045 1 19 . 1 1 4 4 ALA CB C 4 20.002 20.002 19.951 0.051 25050
2046 1 19 . 1 1 4 4 ALA H H 4 7.989 7.989 8.657 -0.668 25050
2047 1 19 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.155 -0.417 25050
2048 1 19 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.329 -0.265 25050
2049 1 19 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.429 1.751 25050
2050 1 19 . 1 1 5 5 LYS H H 5 7.690 7.690 8.576 -0.886 25050
2051 1 19 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.716 -0.565 25050
2052 1 19 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.047 0.852 25050
2053 1 19 . 1 1 6 6 ASN CB C 6 36.680 36.680 41.017 -4.337 25050
2054 1 19 . 1 1 6 6 ASN H H 6 9.818 9.818 8.600 1.218 25050
2055 1 19 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.476 0.031 25050
2056 1 19 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.441 -1.353 25050
2057 1 19 . 1 1 7 7 LYS H H 7 7.801 7.801 7.529 0.272 25050
2058 1 19 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.441 0.258 25050
2059 1 19 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.082 6.262 25050
2060 1 19 . 1 1 8 8 GLU H H 8 8.370 8.370 8.522 -0.152 25050
2061 1 19 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.693 0.177 25050
2062 1 19 . 1 1 9 9 CYS CA C 9 53.222 53.222 58.399 -5.177 25050
2063 1 19 . 1 1 9 9 CYS CB C 9 47.025 47.025 28.652 18.373 25050
2064 1 19 . 1 1 9 9 CYS H H 9 8.157 8.157 8.365 -0.208 25050
2065 1 19 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.660 -0.441 25050
2066 1 19 . 1 1 10 10 ALA CA C 10 51.034 51.034 51.478 -0.444 25050
2067 1 19 . 1 1 10 10 ALA CB C 10 20.222 20.222 19.700 0.522 25050
2068 1 19 . 1 1 10 10 ALA H H 10 8.169 8.169 8.159 0.010 25050
2069 1 19 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.551 0.041 25050
2070 1 19 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.203 -0.880 25050
2071 1 19 . 1 1 11 11 TRP H H 11 8.070 8.070 8.902 -0.832 25050
2072 1 19 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.778 -0.267 25050
2073 1 19 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.261 -2.559 25050
2074 1 19 . 1 1 12 12 PHE H H 12 8.019 8.019 7.823 0.196 25050
2075 1 19 . 1 1 13 13 SER HA H 13 4.366 4.366 4.317 0.049 25050
2076 1 19 . 1 1 13 13 SER CB C 13 63.656 63.656 63.591 0.065 25050
2077 1 19 . 1 1 13 13 SER H H 13 7.860 7.860 7.975 -0.115 25050
2078 1 19 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.888 -0.303 25050
2079 1 19 . 1 1 14 14 GLY H H 14 7.866 7.866 8.547 -0.681 25050
2080 1 19 . 1 1 15 15 GLU HA H 15 4.305 4.305 3.953 0.352 25050
2081 1 19 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.755 0.144 25050
2082 1 19 . 1 1 15 15 GLU CB C 15 30.697 30.697 30.911 -0.214 25050
2083 1 19 . 1 1 15 15 GLU H H 15 7.719 7.719 7.380 0.339 25050
2084 1 19 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.097 -0.170 25050
2085 1 19 . 1 1 16 16 TRP CA C 16 54.769 54.769 55.303 -0.534 25050
2086 1 19 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.390 -0.948 25050
2087 1 19 . 1 1 16 16 TRP H H 16 8.423 8.423 7.990 0.433 25050
2088 1 19 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.778 0.278 25050
2089 1 19 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.234 -4.578 25050
2090 1 19 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.707 11.254 25050
2091 1 19 . 1 1 17 17 CYS H H 17 8.749 8.749 8.904 -0.155 25050
2092 1 19 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.492 -0.006 25050
2093 1 19 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.572 13.306 25050
2094 1 19 . 1 1 18 18 CYS H H 18 9.360 9.360 8.548 0.812 25050
2095 1 19 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.236 -0.311 25050
2096 1 19 . 1 1 19 19 GLY H H 19 8.577 8.577 8.832 -0.255 25050
2097 1 19 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.493 -0.048 25050
2098 1 19 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.044 -2.466 25050
2099 1 19 . 1 1 20 20 ALA H H 20 8.625 8.625 8.182 0.443 25050
2100 1 19 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.605 -0.237 25050
2101 1 19 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.500 -1.373 25050
2102 1 19 . 1 1 21 21 LEU H H 21 7.637 7.637 7.577 0.060 25050
2103 1 19 . 1 1 22 22 SER HA H 22 4.712 4.712 4.712 -0.000 25050
2104 1 19 . 1 1 22 22 SER CB C 22 65.549 65.549 65.142 0.407 25050
2105 1 19 . 1 1 22 22 SER H H 22 9.351 9.351 8.497 0.854 25050
2106 1 19 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.790 0.098 25050
2107 1 19 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.064 -3.155 25050
2108 1 19 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.536 12.917 25050
2109 1 19 . 1 1 23 23 CYS H H 23 8.690 8.690 8.732 -0.042 25050
2110 1 19 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.836 0.032 25050
2111 1 19 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.488 -0.275 25050
2112 1 19 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.441 0.892 25050
2113 1 19 . 1 1 24 24 LYS H H 24 9.202 9.202 8.708 0.494 25050
2114 1 19 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.530 -0.363 25050
2115 1 19 . 1 1 25 25 TYR CA C 25 59.208 59.208 59.002 0.206 25050
2116 1 19 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.616 -1.637 25050
2117 1 19 . 1 1 25 25 TYR H H 25 8.912 8.912 8.536 0.376 25050
2118 1 19 . 1 1 26 26 SER HA H 26 4.597 4.597 4.737 -0.140 25050
2119 1 19 . 1 1 26 26 SER CB C 26 63.103 63.103 63.717 -0.614 25050
2120 1 19 . 1 1 26 26 SER H H 26 8.099 8.099 8.407 -0.308 25050
2121 1 19 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.901 -0.106 25050
2122 1 19 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.834 -0.094 25050
2123 1 19 . 1 1 27 27 ILE H H 27 8.475 8.475 8.757 -0.282 25050
2124 1 19 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.067 -0.027 25050
2125 1 19 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.140 -1.506 25050
2126 1 19 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.538 0.417 25050
2127 1 19 . 1 1 28 28 LYS H H 28 7.774 7.774 8.476 -0.702 25050
2128 1 19 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.364 -0.169 25050
2129 1 19 . 1 1 29 29 ARG CB C 29 30.228 30.228 29.963 0.265 25050
2130 1 19 . 1 1 29 29 ARG H H 29 7.301 7.301 7.908 -0.607 25050
2131 1 19 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.296 -0.104 25050
2132 1 19 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.174 0.455 25050
2133 1 19 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.779 -0.317 25050
2134 1 19 . 1 1 30 30 ASN H H 30 8.223 8.223 7.974 0.249 25050
2135 1 19 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.449 0.110 25050
2136 1 19 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.003 0.308 25050
2137 1 19 . 1 1 31 31 LEU H H 31 7.075 7.075 7.454 -0.379 25050
2138 1 19 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.754 -0.020 25050
2139 1 19 . 1 1 32 32 LYS CB C 32 31.938 31.938 31.671 0.268 25050
2140 1 19 . 1 1 32 32 LYS H H 32 8.248 8.248 8.202 0.046 25050
2141 1 19 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.003 -0.011 25050
2142 1 19 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.654 -0.150 25050
2143 1 19 . 1 1 33 33 ILE H H 33 8.480 8.480 8.204 0.276 25050
2144 1 19 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.453 -0.345 25050
2145 1 19 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.235 -4.817 25050
2146 1 19 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.652 11.539 25050
2147 1 19 . 1 1 34 34 CYS H H 34 7.758 7.758 7.860 -0.102 25050
2148 1 20 . 1 1 2 2 CYS HA H 2 4.923 4.923 5.196 -0.273 25050
2149 1 20 . 1 1 2 2 CYS CA C 2 53.693 53.693 57.191 -3.498 25050
2150 1 20 . 1 1 2 2 CYS CB C 2 42.729 42.729 30.243 12.486 25050
2151 1 20 . 1 1 2 2 CYS H H 2 8.404 8.404 8.310 0.094 25050
2152 1 20 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.328 -0.399 25050
2153 1 20 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.304 -0.156 25050
2154 1 20 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.580 -0.540 25050
2155 1 20 . 1 1 3 3 ILE H H 3 8.924 8.924 8.291 0.633 25050
2156 1 20 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.391 -0.422 25050
2157 1 20 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.490 -0.666 25050
2158 1 20 . 1 1 4 4 ALA CB C 4 20.002 20.002 20.045 -0.043 25050
2159 1 20 . 1 1 4 4 ALA H H 4 7.989 7.989 8.654 -0.665 25050
2160 1 20 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.165 -0.427 25050
2161 1 20 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.044 0.020 25050
2162 1 20 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.430 1.750 25050
2163 1 20 . 1 1 5 5 LYS H H 5 7.690 7.690 8.421 -0.731 25050
2164 1 20 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.678 -0.527 25050
2165 1 20 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.193 0.706 25050
2166 1 20 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.694 -4.013 25050
2167 1 20 . 1 1 6 6 ASN H H 6 9.818 9.818 8.718 1.100 25050
2168 1 20 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.491 0.016 25050
2169 1 20 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.273 -1.184 25050
2170 1 20 . 1 1 7 7 LYS H H 7 7.801 7.801 7.530 0.271 25050
2171 1 20 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.523 0.176 25050
2172 1 20 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.201 6.143 25050
2173 1 20 . 1 1 8 8 GLU H H 8 8.370 8.370 8.501 -0.131 25050
2174 1 20 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.918 -0.048 25050
2175 1 20 . 1 1 9 9 CYS CA C 9 53.222 53.222 56.241 -3.019 25050
2176 1 20 . 1 1 9 9 CYS CB C 9 47.025 47.025 30.464 16.561 25050
2177 1 20 . 1 1 9 9 CYS H H 9 8.157 8.157 8.478 -0.321 25050
2178 1 20 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.725 -0.506 25050
2179 1 20 . 1 1 10 10 ALA CA C 10 51.034 51.034 51.003 0.031 25050
2180 1 20 . 1 1 10 10 ALA CB C 10 20.222 20.222 20.185 0.037 25050
2181 1 20 . 1 1 10 10 ALA H H 10 8.169 8.169 8.337 -0.168 25050
2182 1 20 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.538 0.054 25050
2183 1 20 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.106 -0.783 25050
2184 1 20 . 1 1 11 11 TRP H H 11 8.070 8.070 8.949 -0.879 25050
2185 1 20 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.776 -0.265 25050
2186 1 20 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.224 -2.523 25050
2187 1 20 . 1 1 12 12 PHE H H 12 8.019 8.019 7.831 0.188 25050
2188 1 20 . 1 1 13 13 SER HA H 13 4.366 4.366 4.341 0.025 25050
2189 1 20 . 1 1 13 13 SER CB C 13 63.656 63.656 63.639 0.017 25050
2190 1 20 . 1 1 13 13 SER H H 13 7.860 7.860 8.058 -0.198 25050
2191 1 20 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.881 -0.296 25050
2192 1 20 . 1 1 14 14 GLY H H 14 7.866 7.866 8.529 -0.663 25050
2193 1 20 . 1 1 15 15 GLU HA H 15 4.305 4.305 3.917 0.388 25050
2194 1 20 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.725 0.174 25050
2195 1 20 . 1 1 15 15 GLU CB C 15 30.697 30.697 30.854 -0.157 25050
2196 1 20 . 1 1 15 15 GLU H H 15 7.719 7.719 7.381 0.338 25050
2197 1 20 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.122 -0.195 25050
2198 1 20 . 1 1 16 16 TRP CA C 16 54.769 54.769 55.497 -0.728 25050
2199 1 20 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.420 -0.978 25050
2200 1 20 . 1 1 16 16 TRP H H 16 8.423 8.423 7.998 0.425 25050
2201 1 20 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.792 0.264 25050
2202 1 20 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.411 -4.755 25050
2203 1 20 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.394 11.567 25050
2204 1 20 . 1 1 17 17 CYS H H 17 8.749 8.749 8.879 -0.130 25050
2205 1 20 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.482 0.004 25050
2206 1 20 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.686 13.192 25050
2207 1 20 . 1 1 18 18 CYS H H 18 9.360 9.360 8.522 0.838 25050
2208 1 20 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.262 -0.337 25050
2209 1 20 . 1 1 19 19 GLY H H 19 8.577 8.577 8.822 -0.245 25050
2210 1 20 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.490 -0.045 25050
2211 1 20 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.037 -2.459 25050
2212 1 20 . 1 1 20 20 ALA H H 20 8.625 8.625 8.181 0.444 25050
2213 1 20 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.581 -0.213 25050
2214 1 20 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.455 -1.328 25050
2215 1 20 . 1 1 21 21 LEU H H 21 7.637 7.637 7.572 0.065 25050
2216 1 20 . 1 1 22 22 SER HA H 22 4.712 4.712 4.725 -0.013 25050
2217 1 20 . 1 1 22 22 SER CB C 22 65.549 65.549 65.181 0.367 25050
2218 1 20 . 1 1 22 22 SER H H 22 9.351 9.351 8.451 0.900 25050
2219 1 20 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.590 0.298 25050
2220 1 20 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.543 -3.634 25050
2221 1 20 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.688 12.765 25050
2222 1 20 . 1 1 23 23 CYS H H 23 8.690 8.690 8.522 0.168 25050
2223 1 20 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.884 -0.016 25050
2224 1 20 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.518 -0.305 25050
2225 1 20 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.575 0.758 25050
2226 1 20 . 1 1 24 24 LYS H H 24 9.202 9.202 8.891 0.311 25050
2227 1 20 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.635 -0.468 25050
2228 1 20 . 1 1 25 25 TYR CA C 25 59.208 59.208 59.079 0.129 25050
2229 1 20 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.213 -1.234 25050
2230 1 20 . 1 1 25 25 TYR H H 25 8.912 8.912 8.747 0.165 25050
2231 1 20 . 1 1 26 26 SER HA H 26 4.597 4.597 4.684 -0.087 25050
2232 1 20 . 1 1 26 26 SER CB C 26 63.103 63.103 63.224 -0.121 25050
2233 1 20 . 1 1 26 26 SER H H 26 8.099 8.099 8.568 -0.469 25050
2234 1 20 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.814 -0.019 25050
2235 1 20 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.724 0.016 25050
2236 1 20 . 1 1 27 27 ILE H H 27 8.475 8.475 8.576 -0.101 25050
2237 1 20 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.054 -0.014 25050
2238 1 20 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.097 -1.463 25050
2239 1 20 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.591 0.364 25050
2240 1 20 . 1 1 28 28 LYS H H 28 7.774 7.774 8.412 -0.638 25050
2241 1 20 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.331 -0.136 25050
2242 1 20 . 1 1 29 29 ARG CB C 29 30.228 30.228 29.949 0.279 25050
2243 1 20 . 1 1 29 29 ARG H H 29 7.301 7.301 7.478 -0.177 25050
2244 1 20 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.313 -0.121 25050
2245 1 20 . 1 1 30 30 ASN CA C 30 54.629 54.629 53.994 0.635 25050
2246 1 20 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.380 0.082 25050
2247 1 20 . 1 1 30 30 ASN H H 30 8.223 8.223 7.950 0.273 25050
2248 1 20 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.536 0.023 25050
2249 1 20 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.137 0.174 25050
2250 1 20 . 1 1 31 31 LEU H H 31 7.075 7.075 7.475 -0.400 25050
2251 1 20 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.805 -0.071 25050
2252 1 20 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.935 -0.997 25050
2253 1 20 . 1 1 32 32 LYS H H 32 8.248 8.248 8.495 -0.247 25050
2254 1 20 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.067 -0.075 25050
2255 1 20 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.243 0.261 25050
2256 1 20 . 1 1 33 33 ILE H H 33 8.480 8.480 8.304 0.176 25050
2257 1 20 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.423 -0.315 25050
2258 1 20 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.703 -5.285 25050
2259 1 20 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.566 11.625 25050
2260 1 20 . 1 1 34 34 CYS H H 34 7.758 7.758 7.929 -0.171 25050
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 0 0.000 0.000 0.000 25050
2 1 1 "Average Difference" HA 35 0.261 0.052 0.259 25050
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25050
4 1 1 "Average Difference" CA 19 2.241 1.191 1.950 25050
5 1 1 "Average Difference" CB 30 6.235 -2.417 5.846 25050
6 1 1 "Average Difference" HN 33 0.475 -0.027 0.481 25050
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25050
8 1 2 "Average Difference" HA 35 0.256 0.049 0.255 25050
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25050
10 1 2 "Average Difference" CA 19 2.260 1.177 1.983 25050
11 1 2 "Average Difference" CB 30 6.275 -2.443 5.879 25050
12 1 2 "Average Difference" HN 33 0.505 -0.046 0.511 25050
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25050
14 1 3 "Average Difference" HA 35 0.268 0.055 0.267 25050
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25050
16 1 3 "Average Difference" CA 19 2.287 1.189 2.007 25050
17 1 3 "Average Difference" CB 30 6.222 -2.425 5.828 25050
18 1 3 "Average Difference" HN 33 0.498 -0.045 0.504 25050
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25050
20 1 4 "Average Difference" HA 35 0.257 0.064 0.253 25050
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25050
22 1 4 "Average Difference" CA 19 2.141 1.152 1.854 25050
23 1 4 "Average Difference" CB 30 6.136 -2.312 5.781 25050
24 1 4 "Average Difference" HN 33 0.516 -0.041 0.523 25050
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25050
26 1 5 "Average Difference" HA 35 0.271 0.059 0.268 25050
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25050
28 1 5 "Average Difference" CA 19 2.146 1.128 1.875 25050
29 1 5 "Average Difference" CB 30 6.075 -2.374 5.688 25050
30 1 5 "Average Difference" HN 33 0.497 -0.037 0.503 25050
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25050
32 1 6 "Average Difference" HA 35 0.241 0.065 0.236 25050
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25050
34 1 6 "Average Difference" CA 19 2.071 1.157 1.764 25050
35 1 6 "Average Difference" CB 30 6.173 -2.418 5.777 25050
36 1 6 "Average Difference" HN 33 0.513 -0.053 0.518 25050
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25050
38 1 7 "Average Difference" HA 35 0.246 0.050 0.244 25050
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25050
40 1 7 "Average Difference" CA 19 2.154 1.142 1.877 25050
41 1 7 "Average Difference" CB 30 6.114 -2.354 5.739 25050
42 1 7 "Average Difference" HN 33 0.501 -0.025 0.508 25050
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25050
44 1 8 "Average Difference" HA 35 0.260 0.067 0.255 25050
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25050
46 1 8 "Average Difference" CA 19 2.243 1.247 1.915 25050
47 1 8 "Average Difference" CB 30 6.178 -2.332 5.819 25050
48 1 8 "Average Difference" HN 33 0.498 -0.047 0.504 25050
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25050
50 1 9 "Average Difference" HA 35 0.267 0.054 0.266 25050
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25050
52 1 9 "Average Difference" CA 19 2.296 1.206 2.008 25050
53 1 9 "Average Difference" CB 30 6.298 -2.441 5.905 25050
54 1 9 "Average Difference" HN 33 0.483 -0.039 0.489 25050
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25050
56 1 10 "Average Difference" HA 35 0.264 0.058 0.261 25050
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25050
58 1 10 "Average Difference" CA 19 2.132 1.137 1.853 25050
59 1 10 "Average Difference" CB 30 6.176 -2.438 5.771 25050
60 1 10 "Average Difference" HN 33 0.486 -0.050 0.491 25050
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25050
62 1 11 "Average Difference" HA 35 0.266 0.061 0.263 25050
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25050
64 1 11 "Average Difference" CA 19 2.058 1.061 1.811 25050
65 1 11 "Average Difference" CB 30 6.088 -2.402 5.690 25050
66 1 11 "Average Difference" HN 33 0.531 -0.060 0.536 25050
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25050
68 1 12 "Average Difference" HA 35 0.241 0.041 0.240 25050
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25050
70 1 12 "Average Difference" CA 19 2.228 1.201 1.928 25050
71 1 12 "Average Difference" CB 30 6.158 -2.361 5.785 25050
72 1 12 "Average Difference" HN 33 0.476 -0.042 0.481 25050
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25050
74 1 13 "Average Difference" HA 35 0.245 0.061 0.241 25050
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25050
76 1 13 "Average Difference" CA 19 2.295 1.328 1.923 25050
77 1 13 "Average Difference" CB 30 6.401 -2.492 5.997 25050
78 1 13 "Average Difference" HN 33 0.493 -0.006 0.500 25050
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25050
80 1 14 "Average Difference" HA 35 0.258 0.052 0.256 25050
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25050
82 1 14 "Average Difference" CA 19 2.160 1.147 1.881 25050
83 1 14 "Average Difference" CB 30 6.149 -2.397 5.759 25050
84 1 14 "Average Difference" HN 33 0.499 -0.019 0.506 25050
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25050
86 1 15 "Average Difference" HA 35 0.259 0.055 0.257 25050
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25050
88 1 15 "Average Difference" CA 19 2.291 1.226 1.988 25050
89 1 15 "Average Difference" CB 30 6.311 -2.464 5.909 25050
90 1 15 "Average Difference" HN 33 0.511 -0.011 0.518 25050
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25050
92 1 16 "Average Difference" HA 35 0.247 0.046 0.246 25050
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25050
94 1 16 "Average Difference" CA 19 2.119 1.140 1.836 25050
95 1 16 "Average Difference" CB 30 6.142 -2.327 5.782 25050
96 1 16 "Average Difference" HN 33 0.500 -0.043 0.506 25050
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25050
98 1 17 "Average Difference" HA 35 0.243 0.054 0.241 25050
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25050
100 1 17 "Average Difference" CA 19 2.099 1.157 1.799 25050
101 1 17 "Average Difference" CB 30 6.143 -2.379 5.760 25050
102 1 17 "Average Difference" HN 33 0.513 -0.045 0.519 25050
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25050
104 1 18 "Average Difference" HA 35 0.259 0.066 0.254 25050
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25050
106 1 18 "Average Difference" CA 19 2.124 1.148 1.836 25050
107 1 18 "Average Difference" CB 30 6.103 -2.400 5.707 25050
108 1 18 "Average Difference" HN 33 0.478 -0.011 0.485 25050
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25050
110 1 19 "Average Difference" HA 35 0.261 0.055 0.259 25050
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25050
112 1 19 "Average Difference" CA 19 2.267 1.261 1.936 25050
113 1 19 "Average Difference" CB 30 6.312 -2.461 5.912 25050
114 1 19 "Average Difference" HN 33 0.506 -0.026 0.513 25050
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25050
116 1 20 "Average Difference" HA 35 0.265 0.063 0.261 25050
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25050
118 1 20 "Average Difference" CA 19 2.171 1.168 1.880 25050
119 1 20 "Average Difference" CB 30 6.094 -2.394 5.699 25050
120 1 20 "Average Difference" HN 33 0.472 -0.002 0.480 25050
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 25050
_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 HA H 2 4.923 4.923 5.123 -0.200 25050
2 1 . 1 1 2 2 CYS CA C 2 53.693 53.693 56.910 -3.217 25050
3 1 . 1 1 2 2 CYS CB C 2 42.729 42.729 29.972 12.757 25050
4 1 . 1 1 2 2 CYS H H 2 8.404 8.404 8.043 0.361 25050
5 1 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.324 -0.395 25050
6 1 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.253 -0.105 25050
7 1 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.702 -0.662 25050
8 1 . 1 1 3 3 ILE H H 3 8.924 8.924 8.396 0.528 25050
9 1 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.398 -0.429 25050
10 1 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.471 -0.647 25050
11 1 . 1 1 4 4 ALA CB C 4 20.002 20.002 19.986 0.016 25050
12 1 . 1 1 4 4 ALA H H 4 7.989 7.989 8.645 -0.656 25050
13 1 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.158 -0.420 25050
14 1 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.147 -0.083 25050
15 1 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.541 1.639 25050
16 1 . 1 1 5 5 LYS H H 5 7.690 7.690 8.523 -0.833 25050
17 1 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.670 -0.519 25050
18 1 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.075 0.824 25050
19 1 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.453 -3.773 25050
20 1 . 1 1 6 6 ASN H H 6 9.818 9.818 8.670 1.148 25050
21 1 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.504 0.003 25050
22 1 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.336 -1.247 25050
23 1 . 1 1 7 7 LYS H H 7 7.801 7.801 7.635 0.166 25050
24 1 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.493 0.206 25050
25 1 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.158 6.186 25050
26 1 . 1 1 8 8 GLU H H 8 8.370 8.370 8.519 -0.149 25050
27 1 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.831 0.039 25050
28 1 . 1 1 9 9 CYS CA C 9 53.222 53.222 57.170 -3.948 25050
29 1 . 1 1 9 9 CYS CB C 9 47.025 47.025 29.907 17.118 25050
30 1 . 1 1 9 9 CYS H H 9 8.157 8.157 8.257 -0.100 25050
31 1 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.721 -0.502 25050
32 1 . 1 1 10 10 ALA CA C 10 51.034 51.034 51.091 -0.057 25050
33 1 . 1 1 10 10 ALA CB C 10 20.222 20.222 20.436 -0.214 25050
34 1 . 1 1 10 10 ALA H H 10 8.169 8.169 8.204 -0.035 25050
35 1 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.506 0.086 25050
36 1 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.201 -0.878 25050
37 1 . 1 1 11 11 TRP H H 11 8.070 8.070 8.877 -0.807 25050
38 1 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.763 -0.252 25050
39 1 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.375 -2.674 25050
40 1 . 1 1 12 12 PHE H H 12 8.019 8.019 7.779 0.240 25050
41 1 . 1 1 13 13 SER HA H 13 4.366 4.366 4.328 0.038 25050
42 1 . 1 1 13 13 SER CB C 13 63.656 63.656 63.691 -0.035 25050
43 1 . 1 1 13 13 SER H H 13 7.860 7.860 8.006 -0.146 25050
44 1 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.862 -0.277 25050
45 1 . 1 1 14 14 GLY H H 14 7.866 7.866 8.580 -0.714 25050
46 1 . 1 1 15 15 GLU HA H 15 4.305 4.305 4.122 0.183 25050
47 1 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.853 0.046 25050
48 1 . 1 1 15 15 GLU CB C 15 30.697 30.697 31.079 -0.382 25050
49 1 . 1 1 15 15 GLU H H 15 7.719 7.719 7.427 0.292 25050
50 1 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.089 -0.162 25050
51 1 . 1 1 16 16 TRP CA C 16 54.769 54.769 55.387 -0.618 25050
52 1 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.356 -0.914 25050
53 1 . 1 1 16 16 TRP H H 16 8.423 8.423 8.027 0.396 25050
54 1 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.842 0.214 25050
55 1 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.253 -4.598 25050
56 1 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.546 11.415 25050
57 1 . 1 1 17 17 CYS H H 17 8.749 8.749 8.899 -0.150 25050
58 1 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.465 0.021 25050
59 1 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.588 13.290 25050
60 1 . 1 1 18 18 CYS H H 18 9.360 9.360 8.536 0.824 25050
61 1 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.234 -0.309 25050
62 1 . 1 1 19 19 GLY H H 19 8.577 8.577 8.826 -0.249 25050
63 1 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.502 -0.057 25050
64 1 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.062 -2.484 25050
65 1 . 1 1 20 20 ALA H H 20 8.625 8.625 8.185 0.440 25050
66 1 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.587 -0.219 25050
67 1 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.339 -1.212 25050
68 1 . 1 1 21 21 LEU H H 21 7.637 7.637 7.575 0.062 25050
69 1 . 1 1 22 22 SER HA H 22 4.712 4.712 4.681 0.031 25050
70 1 . 1 1 22 22 SER CB C 22 65.549 65.549 65.161 0.388 25050
71 1 . 1 1 22 22 SER H H 22 9.351 9.351 8.392 0.959 25050
72 1 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.697 0.191 25050
73 1 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.349 -3.440 25050
74 1 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.512 12.941 25050
75 1 . 1 1 23 23 CYS H H 23 8.690 8.690 8.582 0.108 25050
76 1 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.822 0.046 25050
77 1 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.394 -0.181 25050
78 1 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.408 0.925 25050
79 1 . 1 1 24 24 LYS H H 24 9.202 9.202 8.537 0.665 25050
80 1 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.546 -0.379 25050
81 1 . 1 1 25 25 TYR CA C 25 59.208 59.208 58.949 0.259 25050
82 1 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.424 -1.445 25050
83 1 . 1 1 25 25 TYR H H 25 8.912 8.912 8.634 0.278 25050
84 1 . 1 1 26 26 SER HA H 26 4.597 4.597 4.667 -0.070 25050
85 1 . 1 1 26 26 SER CB C 26 63.103 63.103 63.143 -0.040 25050
86 1 . 1 1 26 26 SER H H 26 8.099 8.099 8.529 -0.430 25050
87 1 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.782 0.013 25050
88 1 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.820 -0.080 25050
89 1 . 1 1 27 27 ILE H H 27 8.475 8.475 8.526 -0.051 25050
90 1 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.054 -0.014 25050
91 1 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.121 -1.487 25050
92 1 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.597 0.358 25050
93 1 . 1 1 28 28 LYS H H 28 7.774 7.774 8.445 -0.671 25050
94 1 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.373 -0.178 25050
95 1 . 1 1 29 29 ARG CB C 29 30.228 30.228 29.962 0.266 25050
96 1 . 1 1 29 29 ARG H H 29 7.301 7.301 7.636 -0.336 25050
97 1 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.303 -0.111 25050
98 1 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.173 0.456 25050
99 1 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.672 -0.210 25050
100 1 . 1 1 30 30 ASN H H 30 8.223 8.223 7.968 0.255 25050
101 1 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.527 0.032 25050
102 1 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.401 -0.090 25050
103 1 . 1 1 31 31 LEU H H 31 7.075 7.075 7.435 -0.360 25050
104 1 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.787 -0.053 25050
105 1 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.644 -0.706 25050
106 1 . 1 1 32 32 LYS H H 32 8.248 8.248 8.263 -0.015 25050
107 1 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.044 -0.052 25050
108 1 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.386 0.118 25050
109 1 . 1 1 33 33 ILE H H 33 8.480 8.480 8.235 0.245 25050
110 1 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.370 -0.262 25050
111 1 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.535 -5.117 25050
112 1 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.401 11.790 25050
113 1 . 1 1 34 34 CYS H H 34 7.758 7.758 7.912 -0.154 25050
stop_
save_