data_25582
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25582
_Entry.PDB_ID 2N21
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 25582
_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 3 3 HIS HA H 3 4.409 4.409 4.666 -0.257 25582
2 1 1 . 1 1 3 3 HIS CA C 3 53.098 53.098 51.783 1.315 25582
3 1 1 . 1 1 3 3 HIS CB C 3 28.867 28.867 29.005 -0.138 25582
4 1 1 . 1 1 4 4 PRO HA H 4 3.972 3.972 3.820 0.152 25582
5 1 1 . 1 1 4 4 PRO CA C 4 60.186 60.186 63.422 -3.236 25582
6 1 1 . 1 1 4 4 PRO CB C 4 29.541 29.541 31.760 -2.219 25582
7 1 1 . 1 1 5 5 GLY N N 5 107.940 107.940 106.018 1.922 25582
8 1 1 . 1 1 5 5 GLY C C 5 175.807 175.807 174.611 1.196 25582
9 1 1 . 1 1 5 5 GLY CA C 5 43.979 43.979 46.251 -2.272 25582
10 1 1 . 1 1 5 5 GLY H H 5 8.315 8.315 8.270 0.045 25582
11 1 1 . 1 1 6 6 HIS N N 6 114.183 114.183 118.919 -4.736 25582
12 1 1 . 1 1 6 6 HIS HA H 6 4.511 4.511 4.459 0.052 25582
13 1 1 . 1 1 6 6 HIS C C 6 171.192 171.192 175.209 -4.017 25582
14 1 1 . 1 1 6 6 HIS CA C 6 53.404 53.404 55.918 -2.514 25582
15 1 1 . 1 1 6 6 HIS CB C 6 27.292 27.292 29.656 -2.364 25582
16 1 1 . 1 1 6 6 HIS H H 6 7.457 7.457 6.948 0.509 25582
17 1 1 . 1 1 7 7 LEU N N 7 121.536 121.536 120.920 0.616 25582
18 1 1 . 1 1 7 7 LEU HA H 7 3.903 3.903 4.220 -0.317 25582
19 1 1 . 1 1 7 7 LEU C C 7 172.872 172.872 176.529 -3.657 25582
20 1 1 . 1 1 7 7 LEU CA C 7 51.661 51.661 54.021 -2.360 25582
21 1 1 . 1 1 7 7 LEU CB C 7 39.808 39.808 42.701 -2.893 25582
22 1 1 . 1 1 7 7 LEU H H 7 6.540 6.540 7.409 -0.869 25582
23 1 1 . 1 1 8 8 LYS N N 8 119.261 119.261 123.545 -4.284 25582
24 1 1 . 1 1 8 8 LYS HA H 8 4.508 4.508 4.525 -0.017 25582
25 1 1 . 1 1 8 8 LYS C C 8 172.587 172.587 176.094 -3.507 25582
26 1 1 . 1 1 8 8 LYS CA C 8 51.252 51.252 55.388 -4.136 25582
27 1 1 . 1 1 8 8 LYS CB C 8 33.375 33.375 34.321 -0.946 25582
28 1 1 . 1 1 8 8 LYS H H 8 8.492 8.492 8.326 0.166 25582
29 1 1 . 1 1 9 9 GLY N N 9 112.295 112.295 114.103 -1.808 25582
30 1 1 . 1 1 9 9 GLY C C 9 174.090 174.090 174.895 -0.805 25582
31 1 1 . 1 1 9 9 GLY CA C 9 43.824 43.824 44.504 -0.680 25582
32 1 1 . 1 1 9 9 GLY H H 9 8.694 8.694 8.072 0.622 25582
33 1 1 . 1 1 10 10 ARG N N 10 126.817 126.817 120.813 6.004 25582
34 1 1 . 1 1 10 10 ARG HA H 10 3.036 3.036 3.919 -0.883 25582
35 1 1 . 1 1 10 10 ARG C C 10 171.915 171.915 178.140 -6.225 25582
36 1 1 . 1 1 10 10 ARG CA C 10 55.701 55.701 59.037 -3.336 25582
37 1 1 . 1 1 10 10 ARG CB C 10 26.571 26.571 29.989 -3.418 25582
38 1 1 . 1 1 10 10 ARG H H 10 8.798 8.798 8.757 0.041 25582
39 1 1 . 1 1 11 11 GLU N N 11 113.440 113.440 119.586 -6.146 25582
40 1 1 . 1 1 11 11 GLU HA H 11 3.640 3.640 4.122 -0.482 25582
41 1 1 . 1 1 11 11 GLU C C 11 173.276 173.276 178.480 -5.204 25582
42 1 1 . 1 1 11 11 GLU CA C 11 55.429 55.429 59.008 -3.579 25582
43 1 1 . 1 1 11 11 GLU CB C 11 27.765 27.765 29.264 -1.499 25582
44 1 1 . 1 1 11 11 GLU H H 11 7.453 7.453 8.021 -0.568 25582
45 1 1 . 1 1 12 12 ILE N N 12 118.236 118.236 118.873 -0.637 25582
46 1 1 . 1 1 12 12 ILE HA H 12 2.869 2.869 4.160 -1.291 25582
47 1 1 . 1 1 12 12 ILE C C 12 176.838 176.838 177.403 -0.565 25582
48 1 1 . 1 1 12 12 ILE CA C 12 62.604 62.604 62.932 -0.328 25582
49 1 1 . 1 1 12 12 ILE CB C 12 34.803 34.803 38.538 -3.735 25582
50 1 1 . 1 1 12 12 ILE H H 12 7.499 7.499 8.232 -0.733 25582
51 1 1 . 1 1 13 13 GLY N N 13 104.389 104.389 108.206 -3.817 25582
52 1 1 . 1 1 13 13 GLY C C 13 174.111 174.111 176.156 -2.045 25582
53 1 1 . 1 1 13 13 GLY CA C 13 45.606 45.606 47.283 -1.677 25582
54 1 1 . 1 1 13 13 GLY H H 13 6.135 6.135 7.687 -1.552 25582
55 1 1 . 1 1 14 14 MET N N 14 114.865 114.865 116.566 -1.701 25582
56 1 1 . 1 1 14 14 MET HA H 14 3.952 3.952 4.723 -0.771 25582
57 1 1 . 1 1 14 14 MET CA C 14 53.002 53.002 53.832 -0.830 25582
58 1 1 . 1 1 14 14 MET CB C 14 30.242 30.242 31.741 -1.499 25582
59 1 1 . 1 1 14 14 MET H H 14 7.977 7.977 8.460 -0.483 25582
60 1 1 . 1 1 15 15 TRP N N 15 122.784 122.784 122.859 -0.075 25582
61 1 1 . 1 1 15 15 TRP HA H 15 3.725 3.725 4.490 -0.765 25582
62 1 1 . 1 1 15 15 TRP C C 15 175.377 175.377 176.911 -1.534 25582
63 1 1 . 1 1 15 15 TRP CA C 15 59.311 59.311 59.575 -0.264 25582
64 1 1 . 1 1 15 15 TRP CB C 15 25.410 25.410 31.328 -5.918 25582
65 1 1 . 1 1 15 15 TRP H H 15 7.489 7.489 7.803 -0.314 25582
66 1 1 . 1 1 17 17 ALA HA H 17 3.773 3.773 3.877 -0.104 25582
67 1 1 . 1 1 17 17 ALA CA C 17 51.092 51.092 53.879 -2.787 25582
68 1 1 . 1 1 17 17 ALA CB C 17 15.083 15.083 18.563 -3.480 25582
69 1 1 . 1 1 18 18 LYS N N 18 115.668 115.668 115.561 0.107 25582
70 1 1 . 1 1 18 18 LYS HA H 18 4.002 4.002 4.039 -0.037 25582
71 1 1 . 1 1 18 18 LYS C C 18 175.108 175.108 176.181 -1.073 25582
72 1 1 . 1 1 18 18 LYS CA C 18 52.995 52.995 56.503 -3.508 25582
73 1 1 . 1 1 18 18 LYS CB C 18 28.686 28.686 31.021 -2.335 25582
74 1 1 . 1 1 18 18 LYS H H 18 7.246 7.246 7.921 -0.675 25582
75 1 1 . 1 1 19 19 LYS N N 19 121.064 121.064 116.972 4.092 25582
76 1 1 . 1 1 19 19 LYS HA H 19 3.858 3.858 3.454 0.404 25582
77 1 1 . 1 1 19 19 LYS C C 19 172.881 172.881 175.326 -2.445 25582
78 1 1 . 1 1 19 19 LYS CA C 19 53.325 53.325 58.196 -4.871 25582
79 1 1 . 1 1 19 19 LYS CB C 19 29.238 29.238 31.369 -2.131 25582
80 1 1 . 1 1 19 19 LYS H H 19 7.841 7.841 7.637 0.204 25582
81 1 2 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.048 0.361 25582
82 1 2 . 1 1 3 3 HIS CA C 3 53.098 53.098 55.765 -2.667 25582
83 1 2 . 1 1 3 3 HIS CB C 3 28.867 28.867 27.962 0.905 25582
84 1 2 . 1 1 4 4 PRO HA H 4 3.972 3.972 3.929 0.043 25582
85 1 2 . 1 1 4 4 PRO CA C 4 60.186 60.186 64.149 -3.963 25582
86 1 2 . 1 1 4 4 PRO CB C 4 29.541 29.541 31.856 -2.315 25582
87 1 2 . 1 1 5 5 GLY N N 5 107.940 107.940 103.916 4.024 25582
88 1 2 . 1 1 5 5 GLY C C 5 175.807 175.807 174.532 1.275 25582
89 1 2 . 1 1 5 5 GLY CA C 5 43.979 43.979 46.367 -2.388 25582
90 1 2 . 1 1 5 5 GLY H H 5 8.315 8.315 8.428 -0.113 25582
91 1 2 . 1 1 6 6 HIS N N 6 114.183 114.183 118.250 -4.067 25582
92 1 2 . 1 1 6 6 HIS HA H 6 4.511 4.511 4.664 -0.153 25582
93 1 2 . 1 1 6 6 HIS C C 6 171.192 171.192 175.514 -4.322 25582
94 1 2 . 1 1 6 6 HIS CA C 6 53.404 53.404 55.271 -1.867 25582
95 1 2 . 1 1 6 6 HIS CB C 6 27.292 27.292 29.868 -2.576 25582
96 1 2 . 1 1 6 6 HIS H H 6 7.457 7.457 7.200 0.257 25582
97 1 2 . 1 1 7 7 LEU N N 7 121.536 121.536 121.457 0.079 25582
98 1 2 . 1 1 7 7 LEU HA H 7 3.903 3.903 4.507 -0.604 25582
99 1 2 . 1 1 7 7 LEU C C 7 172.872 172.872 176.673 -3.801 25582
100 1 2 . 1 1 7 7 LEU CA C 7 51.661 51.661 54.169 -2.508 25582
101 1 2 . 1 1 7 7 LEU CB C 7 39.808 39.808 42.781 -2.973 25582
102 1 2 . 1 1 7 7 LEU H H 7 6.540 6.540 7.512 -0.972 25582
103 1 2 . 1 1 8 8 LYS N N 8 119.261 119.261 121.300 -2.039 25582
104 1 2 . 1 1 8 8 LYS HA H 8 4.508 4.508 4.450 0.057 25582
105 1 2 . 1 1 8 8 LYS C C 8 172.587 172.587 176.191 -3.604 25582
106 1 2 . 1 1 8 8 LYS CA C 8 51.252 51.252 55.485 -4.233 25582
107 1 2 . 1 1 8 8 LYS CB C 8 33.375 33.375 33.763 -0.388 25582
108 1 2 . 1 1 8 8 LYS H H 8 8.492 8.492 8.297 0.195 25582
109 1 2 . 1 1 9 9 GLY N N 9 112.295 112.295 113.019 -0.724 25582
110 1 2 . 1 1 9 9 GLY C C 9 174.090 174.090 175.158 -1.068 25582
111 1 2 . 1 1 9 9 GLY CA C 9 43.824 43.824 44.434 -0.610 25582
112 1 2 . 1 1 9 9 GLY H H 9 8.694 8.694 8.292 0.402 25582
113 1 2 . 1 1 10 10 ARG N N 10 126.817 126.817 120.712 6.105 25582
114 1 2 . 1 1 10 10 ARG HA H 10 3.036 3.036 3.839 -0.803 25582
115 1 2 . 1 1 10 10 ARG C C 10 171.915 171.915 177.922 -6.007 25582
116 1 2 . 1 1 10 10 ARG CA C 10 55.701 55.701 58.988 -3.287 25582
117 1 2 . 1 1 10 10 ARG CB C 10 26.571 26.571 30.154 -3.583 25582
118 1 2 . 1 1 10 10 ARG H H 10 8.798 8.798 8.688 0.110 25582
119 1 2 . 1 1 11 11 GLU N N 11 113.440 113.440 119.155 -5.715 25582
120 1 2 . 1 1 11 11 GLU HA H 11 3.640 3.640 4.139 -0.499 25582
121 1 2 . 1 1 11 11 GLU C C 11 173.276 173.276 179.187 -5.911 25582
122 1 2 . 1 1 11 11 GLU CA C 11 55.429 55.429 59.396 -3.967 25582
123 1 2 . 1 1 11 11 GLU CB C 11 27.765 27.765 29.162 -1.397 25582
124 1 2 . 1 1 11 11 GLU H H 11 7.453 7.453 8.099 -0.646 25582
125 1 2 . 1 1 12 12 ILE N N 12 118.236 118.236 118.232 0.004 25582
126 1 2 . 1 1 12 12 ILE HA H 12 2.869 2.869 4.134 -1.265 25582
127 1 2 . 1 1 12 12 ILE C C 12 176.838 176.838 176.907 -0.069 25582
128 1 2 . 1 1 12 12 ILE CA C 12 62.604 62.604 62.771 -0.167 25582
129 1 2 . 1 1 12 12 ILE CB C 12 34.803 34.803 38.058 -3.255 25582
130 1 2 . 1 1 12 12 ILE H H 12 7.499 7.499 8.410 -0.911 25582
131 1 2 . 1 1 13 13 GLY N N 13 104.389 104.389 108.035 -3.646 25582
132 1 2 . 1 1 13 13 GLY C C 13 174.111 174.111 175.413 -1.302 25582
133 1 2 . 1 1 13 13 GLY CA C 13 45.606 45.606 46.728 -1.122 25582
134 1 2 . 1 1 13 13 GLY H H 13 6.135 6.135 7.584 -1.449 25582
135 1 2 . 1 1 14 14 MET N N 14 114.865 114.865 117.574 -2.709 25582
136 1 2 . 1 1 14 14 MET HA H 14 3.952 3.952 4.749 -0.797 25582
137 1 2 . 1 1 14 14 MET CA C 14 53.002 53.002 54.744 -1.742 25582
138 1 2 . 1 1 14 14 MET CB C 14 30.242 30.242 33.102 -2.860 25582
139 1 2 . 1 1 14 14 MET H H 14 7.977 7.977 7.967 0.010 25582
140 1 2 . 1 1 15 15 TRP N N 15 122.784 122.784 120.707 2.077 25582
141 1 2 . 1 1 15 15 TRP HA H 15 3.725 3.725 4.265 -0.540 25582
142 1 2 . 1 1 15 15 TRP C C 15 175.377 175.377 178.318 -2.941 25582
143 1 2 . 1 1 15 15 TRP CA C 15 59.311 59.311 61.748 -2.437 25582
144 1 2 . 1 1 15 15 TRP CB C 15 25.410 25.410 29.615 -4.205 25582
145 1 2 . 1 1 15 15 TRP H H 15 7.489 7.489 8.209 -0.720 25582
146 1 2 . 1 1 17 17 ALA HA H 17 3.773 3.773 3.413 0.360 25582
147 1 2 . 1 1 17 17 ALA CA C 17 51.092 51.092 52.373 -1.280 25582
148 1 2 . 1 1 17 17 ALA CB C 17 15.083 15.083 18.307 -3.224 25582
149 1 2 . 1 1 18 18 LYS N N 18 115.668 115.668 119.722 -4.054 25582
150 1 2 . 1 1 18 18 LYS HA H 18 4.002 4.002 3.935 0.067 25582
151 1 2 . 1 1 18 18 LYS C C 18 175.108 175.108 177.512 -2.404 25582
152 1 2 . 1 1 18 18 LYS CA C 18 52.995 52.995 58.122 -5.127 25582
153 1 2 . 1 1 18 18 LYS CB C 18 28.686 28.686 31.935 -3.249 25582
154 1 2 . 1 1 18 18 LYS H H 18 7.246 7.246 8.287 -1.041 25582
155 1 2 . 1 1 19 19 LYS N N 19 121.064 121.064 119.031 2.033 25582
156 1 2 . 1 1 19 19 LYS HA H 19 3.858 3.858 3.999 -0.141 25582
157 1 2 . 1 1 19 19 LYS C C 19 172.881 172.881 176.843 -3.962 25582
158 1 2 . 1 1 19 19 LYS CA C 19 53.325 53.325 57.651 -4.326 25582
159 1 2 . 1 1 19 19 LYS CB C 19 29.238 29.238 32.588 -3.350 25582
160 1 2 . 1 1 19 19 LYS H H 19 7.841 7.841 7.805 0.036 25582
161 1 3 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.735 -0.326 25582
162 1 3 . 1 1 3 3 HIS CA C 3 53.098 53.098 54.101 -1.003 25582
163 1 3 . 1 1 3 3 HIS CB C 3 28.867 28.867 28.080 0.787 25582
164 1 3 . 1 1 4 4 PRO HA H 4 3.972 3.972 3.845 0.127 25582
165 1 3 . 1 1 4 4 PRO CA C 4 60.186 60.186 64.042 -3.856 25582
166 1 3 . 1 1 4 4 PRO CB C 4 29.541 29.541 31.897 -2.356 25582
167 1 3 . 1 1 5 5 GLY N N 5 107.940 107.940 106.950 0.990 25582
168 1 3 . 1 1 5 5 GLY C C 5 175.807 175.807 174.311 1.496 25582
169 1 3 . 1 1 5 5 GLY CA C 5 43.979 43.979 45.021 -1.042 25582
170 1 3 . 1 1 5 5 GLY H H 5 8.315 8.315 8.780 -0.465 25582
171 1 3 . 1 1 6 6 HIS N N 6 114.183 114.183 118.680 -4.497 25582
172 1 3 . 1 1 6 6 HIS HA H 6 4.511 4.511 4.770 -0.259 25582
173 1 3 . 1 1 6 6 HIS C C 6 171.192 171.192 174.797 -3.605 25582
174 1 3 . 1 1 6 6 HIS CA C 6 53.404 53.404 55.053 -1.649 25582
175 1 3 . 1 1 6 6 HIS CB C 6 27.292 27.292 29.890 -2.598 25582
176 1 3 . 1 1 6 6 HIS H H 6 7.457 7.457 8.016 -0.559 25582
177 1 3 . 1 1 7 7 LEU N N 7 121.536 121.536 121.359 0.177 25582
178 1 3 . 1 1 7 7 LEU HA H 7 3.903 3.903 4.347 -0.444 25582
179 1 3 . 1 1 7 7 LEU C C 7 172.872 172.872 176.526 -3.654 25582
180 1 3 . 1 1 7 7 LEU CA C 7 51.661 51.661 54.443 -2.782 25582
181 1 3 . 1 1 7 7 LEU CB C 7 39.808 39.808 43.232 -3.424 25582
182 1 3 . 1 1 7 7 LEU H H 7 6.540 6.540 7.585 -1.045 25582
183 1 3 . 1 1 8 8 LYS N N 8 119.261 119.261 119.597 -0.336 25582
184 1 3 . 1 1 8 8 LYS HA H 8 4.508 4.508 4.419 0.089 25582
185 1 3 . 1 1 8 8 LYS C C 8 172.587 172.587 175.656 -3.069 25582
186 1 3 . 1 1 8 8 LYS CA C 8 51.252 51.252 55.916 -4.664 25582
187 1 3 . 1 1 8 8 LYS CB C 8 33.375 33.375 34.590 -1.215 25582
188 1 3 . 1 1 8 8 LYS H H 8 8.492 8.492 8.439 0.053 25582
189 1 3 . 1 1 9 9 GLY N N 9 112.295 112.295 114.044 -1.749 25582
190 1 3 . 1 1 9 9 GLY C C 9 174.090 174.090 174.856 -0.766 25582
191 1 3 . 1 1 9 9 GLY CA C 9 43.824 43.824 44.657 -0.833 25582
192 1 3 . 1 1 9 9 GLY H H 9 8.694 8.694 8.301 0.393 25582
193 1 3 . 1 1 10 10 ARG N N 10 126.817 126.817 120.815 6.002 25582
194 1 3 . 1 1 10 10 ARG HA H 10 3.036 3.036 3.988 -0.952 25582
195 1 3 . 1 1 10 10 ARG C C 10 171.915 171.915 178.232 -6.317 25582
196 1 3 . 1 1 10 10 ARG CA C 10 55.701 55.701 58.431 -2.731 25582
197 1 3 . 1 1 10 10 ARG CB C 10 26.571 26.571 30.012 -3.441 25582
198 1 3 . 1 1 10 10 ARG H H 10 8.798 8.798 8.736 0.062 25582
199 1 3 . 1 1 11 11 GLU N N 11 113.440 113.440 119.352 -5.912 25582
200 1 3 . 1 1 11 11 GLU HA H 11 3.640 3.640 4.220 -0.580 25582
201 1 3 . 1 1 11 11 GLU C C 11 173.276 173.276 178.368 -5.092 25582
202 1 3 . 1 1 11 11 GLU CA C 11 55.429 55.429 58.941 -3.513 25582
203 1 3 . 1 1 11 11 GLU CB C 11 27.765 27.765 29.336 -1.571 25582
204 1 3 . 1 1 11 11 GLU H H 11 7.453 7.453 7.914 -0.461 25582
205 1 3 . 1 1 12 12 ILE N N 12 118.236 118.236 118.618 -0.382 25582
206 1 3 . 1 1 12 12 ILE HA H 12 2.869 2.869 4.199 -1.330 25582
207 1 3 . 1 1 12 12 ILE C C 12 176.838 176.838 177.241 -0.403 25582
208 1 3 . 1 1 12 12 ILE CA C 12 62.604 62.604 62.606 -0.002 25582
209 1 3 . 1 1 12 12 ILE CB C 12 34.803 34.803 38.556 -3.753 25582
210 1 3 . 1 1 12 12 ILE H H 12 7.499 7.499 8.179 -0.680 25582
211 1 3 . 1 1 13 13 GLY N N 13 104.389 104.389 108.159 -3.770 25582
212 1 3 . 1 1 13 13 GLY C C 13 174.111 174.111 175.502 -1.391 25582
213 1 3 . 1 1 13 13 GLY CA C 13 45.606 45.606 46.658 -1.052 25582
214 1 3 . 1 1 13 13 GLY H H 13 6.135 6.135 7.646 -1.511 25582
215 1 3 . 1 1 14 14 MET N N 14 114.865 114.865 117.300 -2.435 25582
216 1 3 . 1 1 14 14 MET HA H 14 3.952 3.952 4.790 -0.838 25582
217 1 3 . 1 1 14 14 MET CA C 14 53.002 53.002 53.903 -0.901 25582
218 1 3 . 1 1 14 14 MET CB C 14 30.242 30.242 33.210 -2.968 25582
219 1 3 . 1 1 14 14 MET H H 14 7.977 7.977 7.977 -0.000 25582
220 1 3 . 1 1 15 15 TRP N N 15 122.784 122.784 122.020 0.764 25582
221 1 3 . 1 1 15 15 TRP HA H 15 3.725 3.725 4.516 -0.791 25582
222 1 3 . 1 1 15 15 TRP C C 15 175.377 175.377 176.908 -1.531 25582
223 1 3 . 1 1 15 15 TRP CA C 15 59.311 59.311 58.596 0.716 25582
224 1 3 . 1 1 15 15 TRP CB C 15 25.410 25.410 31.738 -6.327 25582
225 1 3 . 1 1 15 15 TRP H H 15 7.489 7.489 7.639 -0.150 25582
226 1 3 . 1 1 17 17 ALA HA H 17 3.773 3.773 3.894 -0.121 25582
227 1 3 . 1 1 17 17 ALA CA C 17 51.092 51.092 52.922 -1.830 25582
228 1 3 . 1 1 17 17 ALA CB C 17 15.083 15.083 18.776 -3.693 25582
229 1 3 . 1 1 18 18 LYS N N 18 115.668 115.668 122.833 -7.165 25582
230 1 3 . 1 1 18 18 LYS HA H 18 4.002 4.002 3.639 0.363 25582
231 1 3 . 1 1 18 18 LYS C C 18 175.108 175.108 176.844 -1.736 25582
232 1 3 . 1 1 18 18 LYS CA C 18 52.995 52.995 57.144 -4.149 25582
233 1 3 . 1 1 18 18 LYS CB C 18 28.686 28.686 32.492 -3.806 25582
234 1 3 . 1 1 18 18 LYS H H 18 7.246 7.246 8.149 -0.903 25582
235 1 3 . 1 1 19 19 LYS N N 19 121.064 121.064 116.428 4.636 25582
236 1 3 . 1 1 19 19 LYS HA H 19 3.858 3.858 3.941 -0.083 25582
237 1 3 . 1 1 19 19 LYS C C 19 172.881 172.881 176.167 -3.286 25582
238 1 3 . 1 1 19 19 LYS CA C 19 53.325 53.325 58.136 -4.811 25582
239 1 3 . 1 1 19 19 LYS CB C 19 29.238 29.238 31.030 -1.792 25582
240 1 3 . 1 1 19 19 LYS H H 19 7.841 7.841 7.940 -0.099 25582
241 1 4 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.586 -0.177 25582
242 1 4 . 1 1 3 3 HIS CA C 3 53.098 53.098 53.259 -0.161 25582
243 1 4 . 1 1 3 3 HIS CB C 3 28.867 28.867 31.732 -2.865 25582
244 1 4 . 1 1 4 4 PRO HA H 4 3.972 3.972 3.894 0.078 25582
245 1 4 . 1 1 4 4 PRO CA C 4 60.186 60.186 64.245 -4.059 25582
246 1 4 . 1 1 4 4 PRO CB C 4 29.541 29.541 31.686 -2.145 25582
247 1 4 . 1 1 5 5 GLY N N 5 107.940 107.940 108.280 -0.340 25582
248 1 4 . 1 1 5 5 GLY C C 5 175.807 175.807 174.858 0.949 25582
249 1 4 . 1 1 5 5 GLY CA C 5 43.979 43.979 46.051 -2.072 25582
250 1 4 . 1 1 5 5 GLY H H 5 8.315 8.315 8.685 -0.370 25582
251 1 4 . 1 1 6 6 HIS N N 6 114.183 114.183 117.458 -3.275 25582
252 1 4 . 1 1 6 6 HIS HA H 6 4.511 4.511 4.569 -0.058 25582
253 1 4 . 1 1 6 6 HIS C C 6 171.192 171.192 174.810 -3.618 25582
254 1 4 . 1 1 6 6 HIS CA C 6 53.404 53.404 55.970 -2.566 25582
255 1 4 . 1 1 6 6 HIS CB C 6 27.292 27.292 30.479 -3.187 25582
256 1 4 . 1 1 6 6 HIS H H 6 7.457 7.457 7.516 -0.059 25582
257 1 4 . 1 1 7 7 LEU N N 7 121.536 121.536 116.496 5.040 25582
258 1 4 . 1 1 7 7 LEU HA H 7 3.903 3.903 4.820 -0.917 25582
259 1 4 . 1 1 7 7 LEU C C 7 172.872 172.872 175.028 -2.156 25582
260 1 4 . 1 1 7 7 LEU CA C 7 51.661 51.661 52.768 -1.107 25582
261 1 4 . 1 1 7 7 LEU CB C 7 39.808 39.808 43.909 -4.101 25582
262 1 4 . 1 1 7 7 LEU H H 7 6.540 6.540 7.384 -0.844 25582
263 1 4 . 1 1 8 8 LYS N N 8 119.261 119.261 118.592 0.669 25582
264 1 4 . 1 1 8 8 LYS HA H 8 4.508 4.508 4.634 -0.126 25582
265 1 4 . 1 1 8 8 LYS C C 8 172.587 172.587 176.766 -4.179 25582
266 1 4 . 1 1 8 8 LYS CA C 8 51.252 51.252 55.392 -4.140 25582
267 1 4 . 1 1 8 8 LYS CB C 8 33.375 33.375 34.699 -1.323 25582
268 1 4 . 1 1 8 8 LYS H H 8 8.492 8.492 8.543 -0.051 25582
269 1 4 . 1 1 9 9 GLY N N 9 112.295 112.295 108.803 3.492 25582
270 1 4 . 1 1 9 9 GLY C C 9 174.090 174.090 174.988 -0.898 25582
271 1 4 . 1 1 9 9 GLY CA C 9 43.824 43.824 44.626 -0.802 25582
272 1 4 . 1 1 9 9 GLY H H 9 8.694 8.694 8.150 0.544 25582
273 1 4 . 1 1 10 10 ARG N N 10 126.817 126.817 120.901 5.916 25582
274 1 4 . 1 1 10 10 ARG HA H 10 3.036 3.036 4.010 -0.974 25582
275 1 4 . 1 1 10 10 ARG C C 10 171.915 171.915 177.925 -6.010 25582
276 1 4 . 1 1 10 10 ARG CA C 10 55.701 55.701 58.246 -2.545 25582
277 1 4 . 1 1 10 10 ARG CB C 10 26.571 26.571 30.154 -3.583 25582
278 1 4 . 1 1 10 10 ARG H H 10 8.798 8.798 8.669 0.129 25582
279 1 4 . 1 1 11 11 GLU N N 11 113.440 113.440 120.179 -6.739 25582
280 1 4 . 1 1 11 11 GLU HA H 11 3.640 3.640 4.176 -0.536 25582
281 1 4 . 1 1 11 11 GLU C C 11 173.276 173.276 178.787 -5.511 25582
282 1 4 . 1 1 11 11 GLU CA C 11 55.429 55.429 59.174 -3.745 25582
283 1 4 . 1 1 11 11 GLU CB C 11 27.765 27.765 29.541 -1.776 25582
284 1 4 . 1 1 11 11 GLU H H 11 7.453 7.453 7.914 -0.461 25582
285 1 4 . 1 1 12 12 ILE N N 12 118.236 118.236 119.746 -1.510 25582
286 1 4 . 1 1 12 12 ILE HA H 12 2.869 2.869 4.114 -1.245 25582
287 1 4 . 1 1 12 12 ILE C C 12 176.838 176.838 177.988 -1.150 25582
288 1 4 . 1 1 12 12 ILE CA C 12 62.604 62.604 63.535 -0.931 25582
289 1 4 . 1 1 12 12 ILE CB C 12 34.803 34.803 38.062 -3.259 25582
290 1 4 . 1 1 12 12 ILE H H 12 7.499 7.499 7.631 -0.132 25582
291 1 4 . 1 1 13 13 GLY N N 13 104.389 104.389 108.670 -4.281 25582
292 1 4 . 1 1 13 13 GLY C C 13 174.111 174.111 175.412 -1.301 25582
293 1 4 . 1 1 13 13 GLY CA C 13 45.606 45.606 47.403 -1.796 25582
294 1 4 . 1 1 13 13 GLY H H 13 6.135 6.135 8.071 -1.936 25582
295 1 4 . 1 1 14 14 MET N N 14 114.865 114.865 116.580 -1.715 25582
296 1 4 . 1 1 14 14 MET HA H 14 3.952 3.952 4.739 -0.787 25582
297 1 4 . 1 1 14 14 MET CA C 14 53.002 53.002 55.416 -2.414 25582
298 1 4 . 1 1 14 14 MET CB C 14 30.242 30.242 34.095 -3.853 25582
299 1 4 . 1 1 14 14 MET H H 14 7.977 7.977 7.620 0.357 25582
300 1 4 . 1 1 15 15 TRP N N 15 122.784 122.784 120.900 1.884 25582
301 1 4 . 1 1 15 15 TRP HA H 15 3.725 3.725 4.546 -0.821 25582
302 1 4 . 1 1 15 15 TRP C C 15 175.377 175.377 176.230 -0.853 25582
303 1 4 . 1 1 15 15 TRP CA C 15 59.311 59.311 59.497 -0.186 25582
304 1 4 . 1 1 15 15 TRP CB C 15 25.410 25.410 31.199 -5.789 25582
305 1 4 . 1 1 15 15 TRP H H 15 7.489 7.489 8.012 -0.523 25582
306 1 4 . 1 1 17 17 ALA HA H 17 3.773 3.773 4.209 -0.436 25582
307 1 4 . 1 1 17 17 ALA CA C 17 51.092 51.092 51.930 -0.838 25582
308 1 4 . 1 1 17 17 ALA CB C 17 15.083 15.083 17.217 -2.134 25582
309 1 4 . 1 1 18 18 LYS N N 18 115.668 115.668 120.680 -5.012 25582
310 1 4 . 1 1 18 18 LYS HA H 18 4.002 4.002 3.934 0.068 25582
311 1 4 . 1 1 18 18 LYS C C 18 175.108 175.108 177.104 -1.996 25582
312 1 4 . 1 1 18 18 LYS CA C 18 52.995 52.995 56.631 -3.636 25582
313 1 4 . 1 1 18 18 LYS CB C 18 28.686 28.686 32.433 -3.747 25582
314 1 4 . 1 1 18 18 LYS H H 18 7.246 7.246 8.315 -1.069 25582
315 1 4 . 1 1 19 19 LYS N N 19 121.064 121.064 116.427 4.637 25582
316 1 4 . 1 1 19 19 LYS HA H 19 3.858 3.858 3.841 0.017 25582
317 1 4 . 1 1 19 19 LYS C C 19 172.881 172.881 176.308 -3.427 25582
318 1 4 . 1 1 19 19 LYS CA C 19 53.325 53.325 58.523 -5.198 25582
319 1 4 . 1 1 19 19 LYS CB C 19 29.238 29.238 31.035 -1.797 25582
320 1 4 . 1 1 19 19 LYS H H 19 7.841 7.841 8.429 -0.588 25582
321 1 5 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.359 0.050 25582
322 1 5 . 1 1 3 3 HIS CA C 3 53.098 53.098 59.006 -5.908 25582
323 1 5 . 1 1 3 3 HIS CB C 3 28.867 28.867 28.475 0.392 25582
324 1 5 . 1 1 4 4 PRO HA H 4 3.972 3.972 3.737 0.235 25582
325 1 5 . 1 1 4 4 PRO CA C 4 60.186 60.186 63.752 -3.566 25582
326 1 5 . 1 1 4 4 PRO CB C 4 29.541 29.541 31.507 -1.966 25582
327 1 5 . 1 1 5 5 GLY N N 5 107.940 107.940 109.796 -1.856 25582
328 1 5 . 1 1 5 5 GLY C C 5 175.807 175.807 174.741 1.066 25582
329 1 5 . 1 1 5 5 GLY CA C 5 43.979 43.979 44.965 -0.986 25582
330 1 5 . 1 1 5 5 GLY H H 5 8.315 8.315 8.644 -0.329 25582
331 1 5 . 1 1 6 6 HIS N N 6 114.183 114.183 118.740 -4.557 25582
332 1 5 . 1 1 6 6 HIS HA H 6 4.511 4.511 4.739 -0.228 25582
333 1 5 . 1 1 6 6 HIS C C 6 171.192 171.192 174.901 -3.709 25582
334 1 5 . 1 1 6 6 HIS CA C 6 53.404 53.404 54.953 -1.549 25582
335 1 5 . 1 1 6 6 HIS CB C 6 27.292 27.292 29.838 -2.546 25582
336 1 5 . 1 1 6 6 HIS H H 6 7.457 7.457 7.331 0.126 25582
337 1 5 . 1 1 7 7 LEU N N 7 121.536 121.536 121.949 -0.413 25582
338 1 5 . 1 1 7 7 LEU HA H 7 3.903 3.903 4.572 -0.669 25582
339 1 5 . 1 1 7 7 LEU C C 7 172.872 172.872 176.832 -3.960 25582
340 1 5 . 1 1 7 7 LEU CA C 7 51.661 51.661 54.227 -2.566 25582
341 1 5 . 1 1 7 7 LEU CB C 7 39.808 39.808 42.899 -3.091 25582
342 1 5 . 1 1 7 7 LEU H H 7 6.540 6.540 7.399 -0.859 25582
343 1 5 . 1 1 8 8 LYS N N 8 119.261 119.261 121.613 -2.352 25582
344 1 5 . 1 1 8 8 LYS HA H 8 4.508 4.508 4.539 -0.031 25582
345 1 5 . 1 1 8 8 LYS C C 8 172.587 172.587 176.046 -3.459 25582
346 1 5 . 1 1 8 8 LYS CA C 8 51.252 51.252 55.590 -4.338 25582
347 1 5 . 1 1 8 8 LYS CB C 8 33.375 33.375 33.785 -0.410 25582
348 1 5 . 1 1 8 8 LYS H H 8 8.492 8.492 8.309 0.183 25582
349 1 5 . 1 1 9 9 GLY N N 9 112.295 112.295 112.746 -0.451 25582
350 1 5 . 1 1 9 9 GLY C C 9 174.090 174.090 175.102 -1.012 25582
351 1 5 . 1 1 9 9 GLY CA C 9 43.824 43.824 44.483 -0.659 25582
352 1 5 . 1 1 9 9 GLY H H 9 8.694 8.694 8.272 0.422 25582
353 1 5 . 1 1 10 10 ARG N N 10 126.817 126.817 120.500 6.317 25582
354 1 5 . 1 1 10 10 ARG HA H 10 3.036 3.036 3.905 -0.869 25582
355 1 5 . 1 1 10 10 ARG C C 10 171.915 171.915 178.067 -6.152 25582
356 1 5 . 1 1 10 10 ARG CA C 10 55.701 55.701 58.999 -3.298 25582
357 1 5 . 1 1 10 10 ARG CB C 10 26.571 26.571 30.188 -3.617 25582
358 1 5 . 1 1 10 10 ARG H H 10 8.798 8.798 8.747 0.051 25582
359 1 5 . 1 1 11 11 GLU N N 11 113.440 113.440 119.174 -5.734 25582
360 1 5 . 1 1 11 11 GLU HA H 11 3.640 3.640 4.111 -0.471 25582
361 1 5 . 1 1 11 11 GLU C C 11 173.276 173.276 179.354 -6.078 25582
362 1 5 . 1 1 11 11 GLU CA C 11 55.429 55.429 59.289 -3.860 25582
363 1 5 . 1 1 11 11 GLU CB C 11 27.765 27.765 29.394 -1.629 25582
364 1 5 . 1 1 11 11 GLU H H 11 7.453 7.453 8.142 -0.689 25582
365 1 5 . 1 1 12 12 ILE N N 12 118.236 118.236 118.668 -0.432 25582
366 1 5 . 1 1 12 12 ILE HA H 12 2.869 2.869 4.207 -1.338 25582
367 1 5 . 1 1 12 12 ILE C C 12 176.838 176.838 177.435 -0.597 25582
368 1 5 . 1 1 12 12 ILE CA C 12 62.604 62.604 62.982 -0.378 25582
369 1 5 . 1 1 12 12 ILE CB C 12 34.803 34.803 38.271 -3.468 25582
370 1 5 . 1 1 12 12 ILE H H 12 7.499 7.499 8.705 -1.206 25582
371 1 5 . 1 1 13 13 GLY N N 13 104.389 104.389 108.080 -3.691 25582
372 1 5 . 1 1 13 13 GLY C C 13 174.111 174.111 175.157 -1.046 25582
373 1 5 . 1 1 13 13 GLY CA C 13 45.606 45.606 46.924 -1.318 25582
374 1 5 . 1 1 13 13 GLY H H 13 6.135 6.135 7.706 -1.571 25582
375 1 5 . 1 1 14 14 MET N N 14 114.865 114.865 117.706 -2.841 25582
376 1 5 . 1 1 14 14 MET HA H 14 3.952 3.952 4.830 -0.878 25582
377 1 5 . 1 1 14 14 MET CA C 14 53.002 53.002 54.601 -1.599 25582
378 1 5 . 1 1 14 14 MET CB C 14 30.242 30.242 33.220 -2.978 25582
379 1 5 . 1 1 14 14 MET H H 14 7.977 7.977 8.086 -0.109 25582
380 1 5 . 1 1 15 15 TRP N N 15 122.784 122.784 122.723 0.061 25582
381 1 5 . 1 1 15 15 TRP HA H 15 3.725 3.725 4.235 -0.510 25582
382 1 5 . 1 1 15 15 TRP C C 15 175.377 175.377 177.518 -2.141 25582
383 1 5 . 1 1 15 15 TRP CA C 15 59.311 59.311 61.203 -1.892 25582
384 1 5 . 1 1 15 15 TRP CB C 15 25.410 25.410 29.992 -4.582 25582
385 1 5 . 1 1 15 15 TRP H H 15 7.489 7.489 8.116 -0.627 25582
386 1 5 . 1 1 17 17 ALA HA H 17 3.773 3.773 3.938 -0.165 25582
387 1 5 . 1 1 17 17 ALA CA C 17 51.092 51.092 53.227 -2.135 25582
388 1 5 . 1 1 17 17 ALA CB C 17 15.083 15.083 18.808 -3.725 25582
389 1 5 . 1 1 18 18 LYS N N 18 115.668 115.668 120.946 -5.278 25582
390 1 5 . 1 1 18 18 LYS HA H 18 4.002 4.002 3.919 0.083 25582
391 1 5 . 1 1 18 18 LYS C C 18 175.108 175.108 176.081 -0.973 25582
392 1 5 . 1 1 18 18 LYS CA C 18 52.995 52.995 56.138 -3.143 25582
393 1 5 . 1 1 18 18 LYS CB C 18 28.686 28.686 31.527 -2.841 25582
394 1 5 . 1 1 18 18 LYS H H 18 7.246 7.246 7.808 -0.562 25582
395 1 5 . 1 1 19 19 LYS N N 19 121.064 121.064 115.880 5.184 25582
396 1 5 . 1 1 19 19 LYS HA H 19 3.858 3.858 3.912 -0.054 25582
397 1 5 . 1 1 19 19 LYS C C 19 172.881 172.881 175.356 -2.475 25582
398 1 5 . 1 1 19 19 LYS CA C 19 53.325 53.325 57.236 -3.911 25582
399 1 5 . 1 1 19 19 LYS CB C 19 29.238 29.238 31.010 -1.772 25582
400 1 5 . 1 1 19 19 LYS H H 19 7.841 7.841 7.841 0.000 25582
401 1 6 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.792 -0.383 25582
402 1 6 . 1 1 3 3 HIS CA C 3 53.098 53.098 52.550 0.548 25582
403 1 6 . 1 1 3 3 HIS CB C 3 28.867 28.867 29.262 -0.394 25582
404 1 6 . 1 1 4 4 PRO HA H 4 3.972 3.972 3.946 0.026 25582
405 1 6 . 1 1 4 4 PRO CA C 4 60.186 60.186 63.725 -3.539 25582
406 1 6 . 1 1 4 4 PRO CB C 4 29.541 29.541 32.025 -2.484 25582
407 1 6 . 1 1 5 5 GLY N N 5 107.940 107.940 106.766 1.174 25582
408 1 6 . 1 1 5 5 GLY C C 5 175.807 175.807 174.879 0.928 25582
409 1 6 . 1 1 5 5 GLY CA C 5 43.979 43.979 45.322 -1.343 25582
410 1 6 . 1 1 5 5 GLY H H 5 8.315 8.315 8.684 -0.369 25582
411 1 6 . 1 1 6 6 HIS N N 6 114.183 114.183 119.890 -5.707 25582
412 1 6 . 1 1 6 6 HIS HA H 6 4.511 4.511 4.774 -0.263 25582
413 1 6 . 1 1 6 6 HIS C C 6 171.192 171.192 175.580 -4.388 25582
414 1 6 . 1 1 6 6 HIS CA C 6 53.404 53.404 54.990 -1.586 25582
415 1 6 . 1 1 6 6 HIS CB C 6 27.292 27.292 29.504 -2.212 25582
416 1 6 . 1 1 6 6 HIS H H 6 7.457 7.457 8.869 -1.412 25582
417 1 6 . 1 1 7 7 LEU N N 7 121.536 121.536 121.997 -0.461 25582
418 1 6 . 1 1 7 7 LEU HA H 7 3.903 3.903 4.024 -0.121 25582
419 1 6 . 1 1 7 7 LEU C C 7 172.872 172.872 176.572 -3.700 25582
420 1 6 . 1 1 7 7 LEU CA C 7 51.661 51.661 54.212 -2.551 25582
421 1 6 . 1 1 7 7 LEU CB C 7 39.808 39.808 42.584 -2.776 25582
422 1 6 . 1 1 7 7 LEU H H 7 6.540 6.540 7.561 -1.021 25582
423 1 6 . 1 1 8 8 LYS N N 8 119.261 119.261 123.269 -4.008 25582
424 1 6 . 1 1 8 8 LYS HA H 8 4.508 4.508 4.453 0.055 25582
425 1 6 . 1 1 8 8 LYS C C 8 172.587 172.587 176.187 -3.600 25582
426 1 6 . 1 1 8 8 LYS CA C 8 51.252 51.252 55.401 -4.149 25582
427 1 6 . 1 1 8 8 LYS CB C 8 33.375 33.375 34.053 -0.678 25582
428 1 6 . 1 1 8 8 LYS H H 8 8.492 8.492 8.493 -0.001 25582
429 1 6 . 1 1 9 9 GLY N N 9 112.295 112.295 113.614 -1.319 25582
430 1 6 . 1 1 9 9 GLY C C 9 174.090 174.090 174.986 -0.896 25582
431 1 6 . 1 1 9 9 GLY CA C 9 43.824 43.824 44.414 -0.590 25582
432 1 6 . 1 1 9 9 GLY H H 9 8.694 8.694 8.224 0.470 25582
433 1 6 . 1 1 10 10 ARG N N 10 126.817 126.817 120.791 6.026 25582
434 1 6 . 1 1 10 10 ARG HA H 10 3.036 3.036 3.881 -0.845 25582
435 1 6 . 1 1 10 10 ARG C C 10 171.915 171.915 178.011 -6.096 25582
436 1 6 . 1 1 10 10 ARG CA C 10 55.701 55.701 59.120 -3.419 25582
437 1 6 . 1 1 10 10 ARG CB C 10 26.571 26.571 30.096 -3.525 25582
438 1 6 . 1 1 10 10 ARG H H 10 8.798 8.798 8.743 0.055 25582
439 1 6 . 1 1 11 11 GLU N N 11 113.440 113.440 119.404 -5.964 25582
440 1 6 . 1 1 11 11 GLU HA H 11 3.640 3.640 4.111 -0.471 25582
441 1 6 . 1 1 11 11 GLU C C 11 173.276 173.276 179.235 -5.959 25582
442 1 6 . 1 1 11 11 GLU CA C 11 55.429 55.429 59.256 -3.827 25582
443 1 6 . 1 1 11 11 GLU CB C 11 27.765 27.765 29.296 -1.530 25582
444 1 6 . 1 1 11 11 GLU H H 11 7.453 7.453 8.144 -0.691 25582
445 1 6 . 1 1 12 12 ILE N N 12 118.236 118.236 118.280 -0.044 25582
446 1 6 . 1 1 12 12 ILE HA H 12 2.869 2.869 4.236 -1.367 25582
447 1 6 . 1 1 12 12 ILE C C 12 176.838 176.838 177.714 -0.876 25582
448 1 6 . 1 1 12 12 ILE CA C 12 62.604 62.604 62.845 -0.241 25582
449 1 6 . 1 1 12 12 ILE CB C 12 34.803 34.803 38.189 -3.386 25582
450 1 6 . 1 1 12 12 ILE H H 12 7.499 7.499 8.461 -0.962 25582
451 1 6 . 1 1 13 13 GLY N N 13 104.389 104.389 108.402 -4.013 25582
452 1 6 . 1 1 13 13 GLY C C 13 174.111 174.111 175.414 -1.303 25582
453 1 6 . 1 1 13 13 GLY CA C 13 45.606 45.606 46.596 -0.990 25582
454 1 6 . 1 1 13 13 GLY H H 13 6.135 6.135 7.651 -1.516 25582
455 1 6 . 1 1 14 14 MET N N 14 114.865 114.865 118.230 -3.365 25582
456 1 6 . 1 1 14 14 MET HA H 14 3.952 3.952 4.711 -0.759 25582
457 1 6 . 1 1 14 14 MET CA C 14 53.002 53.002 54.362 -1.360 25582
458 1 6 . 1 1 14 14 MET CB C 14 30.242 30.242 32.598 -2.356 25582
459 1 6 . 1 1 14 14 MET H H 14 7.977 7.977 8.066 -0.089 25582
460 1 6 . 1 1 15 15 TRP N N 15 122.784 122.784 121.665 1.119 25582
461 1 6 . 1 1 15 15 TRP HA H 15 3.725 3.725 4.276 -0.551 25582
462 1 6 . 1 1 15 15 TRP C C 15 175.377 175.377 176.344 -0.967 25582
463 1 6 . 1 1 15 15 TRP CA C 15 59.311 59.311 60.492 -1.181 25582
464 1 6 . 1 1 15 15 TRP CB C 15 25.410 25.410 30.050 -4.640 25582
465 1 6 . 1 1 15 15 TRP H H 15 7.489 7.489 7.933 -0.444 25582
466 1 6 . 1 1 17 17 ALA HA H 17 3.773 3.773 4.287 -0.514 25582
467 1 6 . 1 1 17 17 ALA CA C 17 51.092 51.092 50.503 0.589 25582
468 1 6 . 1 1 17 17 ALA CB C 17 15.083 15.083 19.008 -3.925 25582
469 1 6 . 1 1 18 18 LYS N N 18 115.668 115.668 124.358 -8.690 25582
470 1 6 . 1 1 18 18 LYS HA H 18 4.002 4.002 4.003 -0.001 25582
471 1 6 . 1 1 18 18 LYS C C 18 175.108 175.108 176.023 -0.915 25582
472 1 6 . 1 1 18 18 LYS CA C 18 52.995 52.995 57.215 -4.220 25582
473 1 6 . 1 1 18 18 LYS CB C 18 28.686 28.686 32.583 -3.897 25582
474 1 6 . 1 1 18 18 LYS H H 18 7.246 7.246 8.408 -1.162 25582
475 1 6 . 1 1 19 19 LYS N N 19 121.064 121.064 117.672 3.392 25582
476 1 6 . 1 1 19 19 LYS HA H 19 3.858 3.858 3.912 -0.054 25582
477 1 6 . 1 1 19 19 LYS C C 19 172.881 172.881 175.228 -2.347 25582
478 1 6 . 1 1 19 19 LYS CA C 19 53.325 53.325 56.818 -3.493 25582
479 1 6 . 1 1 19 19 LYS CB C 19 29.238 29.238 30.953 -1.715 25582
480 1 6 . 1 1 19 19 LYS H H 19 7.841 7.841 8.097 -0.256 25582
481 1 7 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.524 -0.115 25582
482 1 7 . 1 1 3 3 HIS CA C 3 53.098 53.098 56.511 -3.413 25582
483 1 7 . 1 1 3 3 HIS CB C 3 28.867 28.867 29.246 -0.379 25582
484 1 7 . 1 1 4 4 PRO HA H 4 3.972 3.972 4.311 -0.339 25582
485 1 7 . 1 1 4 4 PRO CA C 4 60.186 60.186 64.748 -4.562 25582
486 1 7 . 1 1 4 4 PRO CB C 4 29.541 29.541 31.703 -2.162 25582
487 1 7 . 1 1 5 5 GLY N N 5 107.940 107.940 108.681 -0.741 25582
488 1 7 . 1 1 5 5 GLY C C 5 175.807 175.807 175.006 0.801 25582
489 1 7 . 1 1 5 5 GLY CA C 5 43.979 43.979 45.847 -1.868 25582
490 1 7 . 1 1 5 5 GLY H H 5 8.315 8.315 8.820 -0.505 25582
491 1 7 . 1 1 6 6 HIS N N 6 114.183 114.183 118.958 -4.775 25582
492 1 7 . 1 1 6 6 HIS HA H 6 4.511 4.511 4.615 -0.104 25582
493 1 7 . 1 1 6 6 HIS C C 6 171.192 171.192 174.974 -3.782 25582
494 1 7 . 1 1 6 6 HIS CA C 6 53.404 53.404 55.713 -2.309 25582
495 1 7 . 1 1 6 6 HIS CB C 6 27.292 27.292 30.118 -2.826 25582
496 1 7 . 1 1 6 6 HIS H H 6 7.457 7.457 8.165 -0.708 25582
497 1 7 . 1 1 7 7 LEU N N 7 121.536 121.536 120.897 0.639 25582
498 1 7 . 1 1 7 7 LEU HA H 7 3.903 3.903 4.395 -0.492 25582
499 1 7 . 1 1 7 7 LEU C C 7 172.872 172.872 176.726 -3.854 25582
500 1 7 . 1 1 7 7 LEU CA C 7 51.661 51.661 54.566 -2.905 25582
501 1 7 . 1 1 7 7 LEU CB C 7 39.808 39.808 42.680 -2.872 25582
502 1 7 . 1 1 7 7 LEU H H 7 6.540 6.540 7.777 -1.237 25582
503 1 7 . 1 1 8 8 LYS N N 8 119.261 119.261 120.537 -1.276 25582
504 1 7 . 1 1 8 8 LYS HA H 8 4.508 4.508 4.519 -0.011 25582
505 1 7 . 1 1 8 8 LYS C C 8 172.587 172.587 176.007 -3.420 25582
506 1 7 . 1 1 8 8 LYS CA C 8 51.252 51.252 55.763 -4.511 25582
507 1 7 . 1 1 8 8 LYS CB C 8 33.375 33.375 34.426 -1.051 25582
508 1 7 . 1 1 8 8 LYS H H 8 8.492 8.492 8.137 0.355 25582
509 1 7 . 1 1 9 9 GLY N N 9 112.295 112.295 112.453 -0.158 25582
510 1 7 . 1 1 9 9 GLY C C 9 174.090 174.090 175.344 -1.254 25582
511 1 7 . 1 1 9 9 GLY CA C 9 43.824 43.824 44.705 -0.881 25582
512 1 7 . 1 1 9 9 GLY H H 9 8.694 8.694 8.324 0.370 25582
513 1 7 . 1 1 10 10 ARG N N 10 126.817 126.817 123.590 3.227 25582
514 1 7 . 1 1 10 10 ARG HA H 10 3.036 3.036 4.068 -1.032 25582
515 1 7 . 1 1 10 10 ARG C C 10 171.915 171.915 177.848 -5.933 25582
516 1 7 . 1 1 10 10 ARG CA C 10 55.701 55.701 58.221 -2.520 25582
517 1 7 . 1 1 10 10 ARG CB C 10 26.571 26.571 30.212 -3.641 25582
518 1 7 . 1 1 10 10 ARG H H 10 8.798 8.798 8.743 0.055 25582
519 1 7 . 1 1 11 11 GLU N N 11 113.440 113.440 119.106 -5.666 25582
520 1 7 . 1 1 11 11 GLU HA H 11 3.640 3.640 4.053 -0.412 25582
521 1 7 . 1 1 11 11 GLU C C 11 173.276 173.276 178.952 -5.676 25582
522 1 7 . 1 1 11 11 GLU CA C 11 55.429 55.429 59.038 -3.609 25582
523 1 7 . 1 1 11 11 GLU CB C 11 27.765 27.765 29.257 -1.492 25582
524 1 7 . 1 1 11 11 GLU H H 11 7.453 7.453 8.320 -0.867 25582
525 1 7 . 1 1 12 12 ILE N N 12 118.236 118.236 118.720 -0.484 25582
526 1 7 . 1 1 12 12 ILE HA H 12 2.869 2.869 4.291 -1.422 25582
527 1 7 . 1 1 12 12 ILE C C 12 176.838 176.838 177.548 -0.710 25582
528 1 7 . 1 1 12 12 ILE CA C 12 62.604 62.604 62.346 0.258 25582
529 1 7 . 1 1 12 12 ILE CB C 12 34.803 34.803 38.327 -3.524 25582
530 1 7 . 1 1 12 12 ILE H H 12 7.499 7.499 7.491 0.008 25582
531 1 7 . 1 1 13 13 GLY N N 13 104.389 104.389 108.969 -4.580 25582
532 1 7 . 1 1 13 13 GLY C C 13 174.111 174.111 175.406 -1.295 25582
533 1 7 . 1 1 13 13 GLY CA C 13 45.606 45.606 47.270 -1.664 25582
534 1 7 . 1 1 13 13 GLY H H 13 6.135 6.135 7.913 -1.778 25582
535 1 7 . 1 1 14 14 MET N N 14 114.865 114.865 116.706 -1.841 25582
536 1 7 . 1 1 14 14 MET HA H 14 3.952 3.952 4.765 -0.813 25582
537 1 7 . 1 1 14 14 MET CA C 14 53.002 53.002 55.239 -2.237 25582
538 1 7 . 1 1 14 14 MET CB C 14 30.242 30.242 33.922 -3.680 25582
539 1 7 . 1 1 14 14 MET H H 14 7.977 7.977 7.928 0.049 25582
540 1 7 . 1 1 15 15 TRP N N 15 122.784 122.784 121.366 1.418 25582
541 1 7 . 1 1 15 15 TRP HA H 15 3.725 3.725 4.628 -0.903 25582
542 1 7 . 1 1 15 15 TRP C C 15 175.377 175.377 176.812 -1.435 25582
543 1 7 . 1 1 15 15 TRP CA C 15 59.311 59.311 60.209 -0.898 25582
544 1 7 . 1 1 15 15 TRP CB C 15 25.410 25.410 31.082 -5.672 25582
545 1 7 . 1 1 15 15 TRP H H 15 7.489 7.489 7.734 -0.245 25582
546 1 7 . 1 1 17 17 ALA HA H 17 3.773 3.773 4.287 -0.514 25582
547 1 7 . 1 1 17 17 ALA CA C 17 51.092 51.092 52.808 -1.716 25582
548 1 7 . 1 1 17 17 ALA CB C 17 15.083 15.083 17.824 -2.741 25582
549 1 7 . 1 1 18 18 LYS N N 18 115.668 115.668 116.027 -0.359 25582
550 1 7 . 1 1 18 18 LYS HA H 18 4.002 4.002 3.971 0.031 25582
551 1 7 . 1 1 18 18 LYS C C 18 175.108 175.108 176.676 -1.568 25582
552 1 7 . 1 1 18 18 LYS CA C 18 52.995 52.995 56.398 -3.403 25582
553 1 7 . 1 1 18 18 LYS CB C 18 28.686 28.686 31.199 -2.513 25582
554 1 7 . 1 1 18 18 LYS H H 18 7.246 7.246 8.059 -0.813 25582
555 1 7 . 1 1 19 19 LYS N N 19 121.064 121.064 117.003 4.061 25582
556 1 7 . 1 1 19 19 LYS HA H 19 3.858 3.858 3.791 0.067 25582
557 1 7 . 1 1 19 19 LYS C C 19 172.881 172.881 176.745 -3.864 25582
558 1 7 . 1 1 19 19 LYS CA C 19 53.325 53.325 58.278 -4.953 25582
559 1 7 . 1 1 19 19 LYS CB C 19 29.238 29.238 30.582 -1.344 25582
560 1 7 . 1 1 19 19 LYS H H 19 7.841 7.841 7.499 0.342 25582
561 1 8 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.706 -0.297 25582
562 1 8 . 1 1 3 3 HIS CA C 3 53.098 53.098 53.119 -0.021 25582
563 1 8 . 1 1 3 3 HIS CB C 3 28.867 28.867 29.094 -0.227 25582
564 1 8 . 1 1 4 4 PRO HA H 4 3.972 3.972 3.885 0.087 25582
565 1 8 . 1 1 4 4 PRO CA C 4 60.186 60.186 64.130 -3.944 25582
566 1 8 . 1 1 4 4 PRO CB C 4 29.541 29.541 31.790 -2.249 25582
567 1 8 . 1 1 5 5 GLY N N 5 107.940 107.940 107.121 0.819 25582
568 1 8 . 1 1 5 5 GLY C C 5 175.807 175.807 174.464 1.343 25582
569 1 8 . 1 1 5 5 GLY CA C 5 43.979 43.979 45.192 -1.213 25582
570 1 8 . 1 1 5 5 GLY H H 5 8.315 8.315 8.808 -0.493 25582
571 1 8 . 1 1 6 6 HIS N N 6 114.183 114.183 118.400 -4.217 25582
572 1 8 . 1 1 6 6 HIS HA H 6 4.511 4.511 4.623 -0.112 25582
573 1 8 . 1 1 6 6 HIS C C 6 171.192 171.192 175.418 -4.226 25582
574 1 8 . 1 1 6 6 HIS CA C 6 53.404 53.404 55.658 -2.254 25582
575 1 8 . 1 1 6 6 HIS CB C 6 27.292 27.292 29.750 -2.458 25582
576 1 8 . 1 1 6 6 HIS H H 6 7.457 7.457 8.143 -0.686 25582
577 1 8 . 1 1 7 7 LEU N N 7 121.536 121.536 120.908 0.628 25582
578 1 8 . 1 1 7 7 LEU HA H 7 3.903 3.903 4.275 -0.372 25582
579 1 8 . 1 1 7 7 LEU C C 7 172.872 172.872 176.335 -3.463 25582
580 1 8 . 1 1 7 7 LEU CA C 7 51.661 51.661 54.577 -2.916 25582
581 1 8 . 1 1 7 7 LEU CB C 7 39.808 39.808 43.348 -3.540 25582
582 1 8 . 1 1 7 7 LEU H H 7 6.540 6.540 7.543 -1.003 25582
583 1 8 . 1 1 8 8 LYS N N 8 119.261 119.261 118.946 0.315 25582
584 1 8 . 1 1 8 8 LYS HA H 8 4.508 4.508 4.489 0.019 25582
585 1 8 . 1 1 8 8 LYS C C 8 172.587 172.587 175.656 -3.069 25582
586 1 8 . 1 1 8 8 LYS CA C 8 51.252 51.252 55.856 -4.604 25582
587 1 8 . 1 1 8 8 LYS CB C 8 33.375 33.375 35.488 -2.113 25582
588 1 8 . 1 1 8 8 LYS H H 8 8.492 8.492 8.253 0.239 25582
589 1 8 . 1 1 9 9 GLY N N 9 112.295 112.295 110.776 1.519 25582
590 1 8 . 1 1 9 9 GLY C C 9 174.090 174.090 174.767 -0.677 25582
591 1 8 . 1 1 9 9 GLY CA C 9 43.824 43.824 44.562 -0.738 25582
592 1 8 . 1 1 9 9 GLY H H 9 8.694 8.694 8.115 0.579 25582
593 1 8 . 1 1 10 10 ARG N N 10 126.817 126.817 120.201 6.616 25582
594 1 8 . 1 1 10 10 ARG HA H 10 3.036 3.036 3.985 -0.949 25582
595 1 8 . 1 1 10 10 ARG C C 10 171.915 171.915 178.305 -6.390 25582
596 1 8 . 1 1 10 10 ARG CA C 10 55.701 55.701 58.647 -2.946 25582
597 1 8 . 1 1 10 10 ARG CB C 10 26.571 26.571 30.110 -3.539 25582
598 1 8 . 1 1 10 10 ARG H H 10 8.798 8.798 8.730 0.068 25582
599 1 8 . 1 1 11 11 GLU N N 11 113.440 113.440 119.801 -6.361 25582
600 1 8 . 1 1 11 11 GLU HA H 11 3.640 3.640 4.160 -0.520 25582
601 1 8 . 1 1 11 11 GLU C C 11 173.276 173.276 179.122 -5.846 25582
602 1 8 . 1 1 11 11 GLU CA C 11 55.429 55.429 59.398 -3.969 25582
603 1 8 . 1 1 11 11 GLU CB C 11 27.765 27.765 29.450 -1.685 25582
604 1 8 . 1 1 11 11 GLU H H 11 7.453 7.453 8.082 -0.628 25582
605 1 8 . 1 1 12 12 ILE N N 12 118.236 118.236 119.144 -0.908 25582
606 1 8 . 1 1 12 12 ILE HA H 12 2.869 2.869 4.322 -1.453 25582
607 1 8 . 1 1 12 12 ILE C C 12 176.838 176.838 177.509 -0.671 25582
608 1 8 . 1 1 12 12 ILE CA C 12 62.604 62.604 62.359 0.245 25582
609 1 8 . 1 1 12 12 ILE CB C 12 34.803 34.803 38.281 -3.478 25582
610 1 8 . 1 1 12 12 ILE H H 12 7.499 7.499 8.119 -0.620 25582
611 1 8 . 1 1 13 13 GLY N N 13 104.389 104.389 108.491 -4.102 25582
612 1 8 . 1 1 13 13 GLY C C 13 174.111 174.111 175.166 -1.055 25582
613 1 8 . 1 1 13 13 GLY CA C 13 45.606 45.606 47.162 -1.556 25582
614 1 8 . 1 1 13 13 GLY H H 13 6.135 6.135 7.977 -1.842 25582
615 1 8 . 1 1 14 14 MET N N 14 114.865 114.865 117.292 -2.427 25582
616 1 8 . 1 1 14 14 MET HA H 14 3.952 3.952 4.773 -0.821 25582
617 1 8 . 1 1 14 14 MET CA C 14 53.002 53.002 55.733 -2.731 25582
618 1 8 . 1 1 14 14 MET CB C 14 30.242 30.242 33.795 -3.553 25582
619 1 8 . 1 1 14 14 MET H H 14 7.977 7.977 7.548 0.429 25582
620 1 8 . 1 1 15 15 TRP N N 15 122.784 122.784 122.859 -0.075 25582
621 1 8 . 1 1 15 15 TRP HA H 15 3.725 3.725 4.257 -0.532 25582
622 1 8 . 1 1 15 15 TRP C C 15 175.377 175.377 177.096 -1.719 25582
623 1 8 . 1 1 15 15 TRP CA C 15 59.311 59.311 60.694 -1.383 25582
624 1 8 . 1 1 15 15 TRP CB C 15 25.410 25.410 30.051 -4.641 25582
625 1 8 . 1 1 15 15 TRP H H 15 7.489 7.489 8.016 -0.527 25582
626 1 8 . 1 1 17 17 ALA HA H 17 3.773 3.773 3.975 -0.202 25582
627 1 8 . 1 1 17 17 ALA CA C 17 51.092 51.092 53.056 -1.964 25582
628 1 8 . 1 1 17 17 ALA CB C 17 15.083 15.083 19.155 -4.072 25582
629 1 8 . 1 1 18 18 LYS N N 18 115.668 115.668 122.873 -7.205 25582
630 1 8 . 1 1 18 18 LYS HA H 18 4.002 4.002 3.896 0.106 25582
631 1 8 . 1 1 18 18 LYS C C 18 175.108 175.108 177.136 -2.028 25582
632 1 8 . 1 1 18 18 LYS CA C 18 52.995 52.995 56.687 -3.692 25582
633 1 8 . 1 1 18 18 LYS CB C 18 28.686 28.686 32.396 -3.710 25582
634 1 8 . 1 1 18 18 LYS H H 18 7.246 7.246 8.228 -0.982 25582
635 1 8 . 1 1 19 19 LYS N N 19 121.064 121.064 118.110 2.954 25582
636 1 8 . 1 1 19 19 LYS HA H 19 3.858 3.858 3.894 -0.036 25582
637 1 8 . 1 1 19 19 LYS C C 19 172.881 172.881 175.115 -2.234 25582
638 1 8 . 1 1 19 19 LYS CA C 19 53.325 53.325 57.992 -4.667 25582
639 1 8 . 1 1 19 19 LYS CB C 19 29.238 29.238 31.426 -2.188 25582
640 1 8 . 1 1 19 19 LYS H H 19 7.841 7.841 7.882 -0.041 25582
641 1 9 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.875 -0.466 25582
642 1 9 . 1 1 3 3 HIS CA C 3 53.098 53.098 53.361 -0.263 25582
643 1 9 . 1 1 3 3 HIS CB C 3 28.867 28.867 29.167 -0.300 25582
644 1 9 . 1 1 4 4 PRO HA H 4 3.972 3.972 3.581 0.391 25582
645 1 9 . 1 1 4 4 PRO CA C 4 60.186 60.186 64.038 -3.852 25582
646 1 9 . 1 1 4 4 PRO CB C 4 29.541 29.541 31.672 -2.131 25582
647 1 9 . 1 1 5 5 GLY N N 5 107.940 107.940 105.395 2.545 25582
648 1 9 . 1 1 5 5 GLY C C 5 175.807 175.807 174.762 1.045 25582
649 1 9 . 1 1 5 5 GLY CA C 5 43.979 43.979 45.817 -1.838 25582
650 1 9 . 1 1 5 5 GLY H H 5 8.315 8.315 8.548 -0.233 25582
651 1 9 . 1 1 6 6 HIS N N 6 114.183 114.183 118.888 -4.705 25582
652 1 9 . 1 1 6 6 HIS HA H 6 4.511 4.511 4.729 -0.218 25582
653 1 9 . 1 1 6 6 HIS C C 6 171.192 171.192 175.296 -4.104 25582
654 1 9 . 1 1 6 6 HIS CA C 6 53.404 53.404 55.304 -1.900 25582
655 1 9 . 1 1 6 6 HIS CB C 6 27.292 27.292 29.887 -2.595 25582
656 1 9 . 1 1 6 6 HIS H H 6 7.457 7.457 7.071 0.386 25582
657 1 9 . 1 1 7 7 LEU N N 7 121.536 121.536 121.012 0.524 25582
658 1 9 . 1 1 7 7 LEU HA H 7 3.903 3.903 4.361 -0.458 25582
659 1 9 . 1 1 7 7 LEU C C 7 172.872 172.872 176.351 -3.479 25582
660 1 9 . 1 1 7 7 LEU CA C 7 51.661 51.661 54.157 -2.496 25582
661 1 9 . 1 1 7 7 LEU CB C 7 39.808 39.808 43.333 -3.525 25582
662 1 9 . 1 1 7 7 LEU H H 7 6.540 6.540 7.259 -0.719 25582
663 1 9 . 1 1 8 8 LYS N N 8 119.261 119.261 122.573 -3.312 25582
664 1 9 . 1 1 8 8 LYS HA H 8 4.508 4.508 4.488 0.020 25582
665 1 9 . 1 1 8 8 LYS C C 8 172.587 172.587 176.094 -3.507 25582
666 1 9 . 1 1 8 8 LYS CA C 8 51.252 51.252 55.891 -4.639 25582
667 1 9 . 1 1 8 8 LYS CB C 8 33.375 33.375 33.750 -0.375 25582
668 1 9 . 1 1 8 8 LYS H H 8 8.492 8.492 8.757 -0.265 25582
669 1 9 . 1 1 9 9 GLY N N 9 112.295 112.295 112.613 -0.318 25582
670 1 9 . 1 1 9 9 GLY C C 9 174.090 174.090 174.870 -0.780 25582
671 1 9 . 1 1 9 9 GLY CA C 9 43.824 43.824 44.557 -0.733 25582
672 1 9 . 1 1 9 9 GLY H H 9 8.694 8.694 8.185 0.509 25582
673 1 9 . 1 1 10 10 ARG N N 10 126.817 126.817 120.727 6.090 25582
674 1 9 . 1 1 10 10 ARG HA H 10 3.036 3.036 4.050 -1.014 25582
675 1 9 . 1 1 10 10 ARG C C 10 171.915 171.915 177.844 -5.929 25582
676 1 9 . 1 1 10 10 ARG CA C 10 55.701 55.701 58.066 -2.365 25582
677 1 9 . 1 1 10 10 ARG CB C 10 26.571 26.571 30.163 -3.592 25582
678 1 9 . 1 1 10 10 ARG H H 10 8.798 8.798 8.691 0.107 25582
679 1 9 . 1 1 11 11 GLU N N 11 113.440 113.440 120.361 -6.921 25582
680 1 9 . 1 1 11 11 GLU HA H 11 3.640 3.640 4.084 -0.444 25582
681 1 9 . 1 1 11 11 GLU C C 11 173.276 173.276 178.870 -5.594 25582
682 1 9 . 1 1 11 11 GLU CA C 11 55.429 55.429 59.160 -3.731 25582
683 1 9 . 1 1 11 11 GLU CB C 11 27.765 27.765 29.071 -1.306 25582
684 1 9 . 1 1 11 11 GLU H H 11 7.453 7.453 8.080 -0.627 25582
685 1 9 . 1 1 12 12 ILE N N 12 118.236 118.236 119.411 -1.175 25582
686 1 9 . 1 1 12 12 ILE HA H 12 2.869 2.869 3.915 -1.046 25582
687 1 9 . 1 1 12 12 ILE C C 12 176.838 176.838 177.347 -0.509 25582
688 1 9 . 1 1 12 12 ILE CA C 12 62.604 62.604 63.841 -1.237 25582
689 1 9 . 1 1 12 12 ILE CB C 12 34.803 34.803 37.889 -3.086 25582
690 1 9 . 1 1 12 12 ILE H H 12 7.499 7.499 7.516 -0.017 25582
691 1 9 . 1 1 13 13 GLY N N 13 104.389 104.389 107.404 -3.015 25582
692 1 9 . 1 1 13 13 GLY C C 13 174.111 174.111 175.760 -1.649 25582
693 1 9 . 1 1 13 13 GLY CA C 13 45.606 45.606 46.796 -1.190 25582
694 1 9 . 1 1 13 13 GLY H H 13 6.135 6.135 7.591 -1.456 25582
695 1 9 . 1 1 14 14 MET N N 14 114.865 114.865 118.051 -3.186 25582
696 1 9 . 1 1 14 14 MET HA H 14 3.952 3.952 4.863 -0.911 25582
697 1 9 . 1 1 14 14 MET CA C 14 53.002 53.002 54.023 -1.021 25582
698 1 9 . 1 1 14 14 MET CB C 14 30.242 30.242 33.154 -2.912 25582
699 1 9 . 1 1 14 14 MET H H 14 7.977 7.977 8.198 -0.221 25582
700 1 9 . 1 1 15 15 TRP N N 15 122.784 122.784 124.008 -1.224 25582
701 1 9 . 1 1 15 15 TRP HA H 15 3.725 3.725 4.245 -0.520 25582
702 1 9 . 1 1 15 15 TRP C C 15 175.377 175.377 176.519 -1.142 25582
703 1 9 . 1 1 15 15 TRP CA C 15 59.311 59.311 60.760 -1.449 25582
704 1 9 . 1 1 15 15 TRP CB C 15 25.410 25.410 30.044 -4.634 25582
705 1 9 . 1 1 15 15 TRP H H 15 7.489 7.489 8.799 -1.310 25582
706 1 9 . 1 1 17 17 ALA HA H 17 3.773 3.773 3.975 -0.202 25582
707 1 9 . 1 1 17 17 ALA CA C 17 51.092 51.092 52.962 -1.870 25582
708 1 9 . 1 1 17 17 ALA CB C 17 15.083 15.083 18.439 -3.356 25582
709 1 9 . 1 1 18 18 LYS N N 18 115.668 115.668 124.083 -8.415 25582
710 1 9 . 1 1 18 18 LYS HA H 18 4.002 4.002 3.564 0.438 25582
711 1 9 . 1 1 18 18 LYS C C 18 175.108 175.108 176.842 -1.734 25582
712 1 9 . 1 1 18 18 LYS CA C 18 52.995 52.995 57.609 -4.614 25582
713 1 9 . 1 1 18 18 LYS CB C 18 28.686 28.686 33.002 -4.316 25582
714 1 9 . 1 1 18 18 LYS H H 18 7.246 7.246 8.456 -1.210 25582
715 1 9 . 1 1 19 19 LYS N N 19 121.064 121.064 116.086 4.978 25582
716 1 9 . 1 1 19 19 LYS HA H 19 3.858 3.858 3.859 -0.001 25582
717 1 9 . 1 1 19 19 LYS C C 19 172.881 172.881 176.609 -3.728 25582
718 1 9 . 1 1 19 19 LYS CA C 19 53.325 53.325 58.635 -5.310 25582
719 1 9 . 1 1 19 19 LYS CB C 19 29.238 29.238 30.804 -1.566 25582
720 1 9 . 1 1 19 19 LYS H H 19 7.841 7.841 8.135 -0.294 25582
721 1 10 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.048 0.361 25582
722 1 10 . 1 1 3 3 HIS CA C 3 53.098 53.098 55.742 -2.644 25582
723 1 10 . 1 1 3 3 HIS CB C 3 28.867 28.867 28.065 0.802 25582
724 1 10 . 1 1 4 4 PRO HA H 4 3.972 3.972 3.801 0.171 25582
725 1 10 . 1 1 4 4 PRO CA C 4 60.186 60.186 63.945 -3.759 25582
726 1 10 . 1 1 4 4 PRO CB C 4 29.541 29.541 31.666 -2.125 25582
727 1 10 . 1 1 5 5 GLY N N 5 107.940 107.940 103.855 4.085 25582
728 1 10 . 1 1 5 5 GLY C C 5 175.807 175.807 174.651 1.156 25582
729 1 10 . 1 1 5 5 GLY CA C 5 43.979 43.979 46.363 -2.384 25582
730 1 10 . 1 1 5 5 GLY H H 5 8.315 8.315 8.398 -0.083 25582
731 1 10 . 1 1 6 6 HIS N N 6 114.183 114.183 118.564 -4.381 25582
732 1 10 . 1 1 6 6 HIS HA H 6 4.511 4.511 4.547 -0.036 25582
733 1 10 . 1 1 6 6 HIS C C 6 171.192 171.192 175.197 -4.005 25582
734 1 10 . 1 1 6 6 HIS CA C 6 53.404 53.404 55.626 -2.222 25582
735 1 10 . 1 1 6 6 HIS CB C 6 27.292 27.292 29.854 -2.562 25582
736 1 10 . 1 1 6 6 HIS H H 6 7.457 7.457 7.140 0.317 25582
737 1 10 . 1 1 7 7 LEU N N 7 121.536 121.536 121.574 -0.038 25582
738 1 10 . 1 1 7 7 LEU HA H 7 3.903 3.903 4.297 -0.394 25582
739 1 10 . 1 1 7 7 LEU C C 7 172.872 172.872 176.464 -3.592 25582
740 1 10 . 1 1 7 7 LEU CA C 7 51.661 51.661 54.218 -2.557 25582
741 1 10 . 1 1 7 7 LEU CB C 7 39.808 39.808 42.550 -2.742 25582
742 1 10 . 1 1 7 7 LEU H H 7 6.540 6.540 7.508 -0.968 25582
743 1 10 . 1 1 8 8 LYS N N 8 119.261 119.261 121.888 -2.627 25582
744 1 10 . 1 1 8 8 LYS HA H 8 4.508 4.508 4.505 0.003 25582
745 1 10 . 1 1 8 8 LYS C C 8 172.587 172.587 176.341 -3.754 25582
746 1 10 . 1 1 8 8 LYS CA C 8 51.252 51.252 55.783 -4.532 25582
747 1 10 . 1 1 8 8 LYS CB C 8 33.375 33.375 33.904 -0.529 25582
748 1 10 . 1 1 8 8 LYS H H 8 8.492 8.492 8.202 0.290 25582
749 1 10 . 1 1 9 9 GLY N N 9 112.295 112.295 111.866 0.429 25582
750 1 10 . 1 1 9 9 GLY C C 9 174.090 174.090 175.179 -1.089 25582
751 1 10 . 1 1 9 9 GLY CA C 9 43.824 43.824 44.292 -0.468 25582
752 1 10 . 1 1 9 9 GLY H H 9 8.694 8.694 8.096 0.598 25582
753 1 10 . 1 1 10 10 ARG N N 10 126.817 126.817 120.504 6.313 25582
754 1 10 . 1 1 10 10 ARG HA H 10 3.036 3.036 3.931 -0.895 25582
755 1 10 . 1 1 10 10 ARG C C 10 171.915 171.915 177.888 -5.973 25582
756 1 10 . 1 1 10 10 ARG CA C 10 55.701 55.701 58.606 -2.905 25582
757 1 10 . 1 1 10 10 ARG CB C 10 26.571 26.571 30.112 -3.541 25582
758 1 10 . 1 1 10 10 ARG H H 10 8.798 8.798 8.704 0.094 25582
759 1 10 . 1 1 11 11 GLU N N 11 113.440 113.440 119.707 -6.267 25582
760 1 10 . 1 1 11 11 GLU HA H 11 3.640 3.640 4.102 -0.462 25582
761 1 10 . 1 1 11 11 GLU C C 11 173.276 173.276 179.010 -5.734 25582
762 1 10 . 1 1 11 11 GLU CA C 11 55.429 55.429 59.489 -4.060 25582
763 1 10 . 1 1 11 11 GLU CB C 11 27.765 27.765 29.057 -1.292 25582
764 1 10 . 1 1 11 11 GLU H H 11 7.453 7.453 7.969 -0.516 25582
765 1 10 . 1 1 12 12 ILE N N 12 118.236 118.236 119.385 -1.149 25582
766 1 10 . 1 1 12 12 ILE HA H 12 2.869 2.869 4.035 -1.166 25582
767 1 10 . 1 1 12 12 ILE C C 12 176.838 176.838 177.982 -1.144 25582
768 1 10 . 1 1 12 12 ILE CA C 12 62.604 62.604 63.640 -1.036 25582
769 1 10 . 1 1 12 12 ILE CB C 12 34.803 34.803 37.875 -3.072 25582
770 1 10 . 1 1 12 12 ILE H H 12 7.499 7.499 7.754 -0.255 25582
771 1 10 . 1 1 13 13 GLY N N 13 104.389 104.389 107.955 -3.566 25582
772 1 10 . 1 1 13 13 GLY C C 13 174.111 174.111 175.543 -1.432 25582
773 1 10 . 1 1 13 13 GLY CA C 13 45.606 45.606 46.850 -1.244 25582
774 1 10 . 1 1 13 13 GLY H H 13 6.135 6.135 7.685 -1.550 25582
775 1 10 . 1 1 14 14 MET N N 14 114.865 114.865 117.556 -2.691 25582
776 1 10 . 1 1 14 14 MET HA H 14 3.952 3.952 4.825 -0.873 25582
777 1 10 . 1 1 14 14 MET CA C 14 53.002 53.002 54.266 -1.264 25582
778 1 10 . 1 1 14 14 MET CB C 14 30.242 30.242 33.479 -3.237 25582
779 1 10 . 1 1 14 14 MET H H 14 7.977 7.977 8.041 -0.064 25582
780 1 10 . 1 1 15 15 TRP N N 15 122.784 122.784 123.317 -0.533 25582
781 1 10 . 1 1 15 15 TRP HA H 15 3.725 3.725 4.241 -0.516 25582
782 1 10 . 1 1 15 15 TRP C C 15 175.377 175.377 175.377 0.000 25582
783 1 10 . 1 1 15 15 TRP CA C 15 59.311 59.311 60.522 -1.211 25582
784 1 10 . 1 1 15 15 TRP CB C 15 25.410 25.410 30.274 -4.864 25582
785 1 10 . 1 1 15 15 TRP H H 15 7.489 7.489 8.680 -1.191 25582
786 1 10 . 1 1 17 17 ALA HA H 17 3.773 3.773 3.991 -0.218 25582
787 1 10 . 1 1 17 17 ALA CA C 17 51.092 51.092 53.658 -2.566 25582
788 1 10 . 1 1 17 17 ALA CB C 17 15.083 15.083 18.291 -3.208 25582
789 1 10 . 1 1 18 18 LYS N N 18 115.668 115.668 123.160 -7.492 25582
790 1 10 . 1 1 18 18 LYS HA H 18 4.002 4.002 4.023 -0.021 25582
791 1 10 . 1 1 18 18 LYS C C 18 175.108 175.108 177.140 -2.032 25582
792 1 10 . 1 1 18 18 LYS CA C 18 52.995 52.995 55.685 -2.690 25582
793 1 10 . 1 1 18 18 LYS CB C 18 28.686 28.686 32.645 -3.959 25582
794 1 10 . 1 1 18 18 LYS H H 18 7.246 7.246 7.491 -0.245 25582
795 1 10 . 1 1 19 19 LYS N N 19 121.064 121.064 118.392 2.672 25582
796 1 10 . 1 1 19 19 LYS HA H 19 3.858 3.858 3.848 0.010 25582
797 1 10 . 1 1 19 19 LYS C C 19 172.881 172.881 177.376 -4.495 25582
798 1 10 . 1 1 19 19 LYS CA C 19 53.325 53.325 58.209 -4.885 25582
799 1 10 . 1 1 19 19 LYS CB C 19 29.238 29.238 30.990 -1.752 25582
800 1 10 . 1 1 19 19 LYS H H 19 7.841 7.841 8.151 -0.310 25582
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 13 3.470 0.805 3.514 25582
2 1 1 "Average Difference" HA 19 0.508 0.139 0.502 25582
3 1 1 "Average Difference" C 12 3.211 2.490 2.117 25582
4 1 1 "Average Difference" CA 16 2.718 2.191 1.661 25582
5 1 1 "Average Difference" CB 13 2.870 2.506 1.456 25582
6 1 1 "Average Difference" HN 13 0.652 0.278 0.614 25582
7 1 2 "Average Difference" N 13 3.429 0.664 3.502 25582
8 1 2 "Average Difference" HA 19 0.507 0.123 0.505 25582
9 1 2 "Average Difference" C 12 3.556 2.843 2.231 25582
10 1 2 "Average Difference" CA 16 2.958 2.606 1.447 25582
11 1 2 "Average Difference" CB 13 2.845 2.498 1.418 25582
12 1 2 "Average Difference" HN 13 0.690 0.373 0.604 25582
13 1 3 "Average Difference" N 13 3.814 1.052 3.815 25582
14 1 3 "Average Difference" HA 19 0.527 0.211 0.496 25582
15 1 3 "Average Difference" C 12 3.197 2.446 2.151 25582
16 1 3 "Average Difference" CA 16 2.690 2.131 1.695 25582
17 1 3 "Average Difference" CB 13 3.219 2.781 1.686 25582
18 1 3 "Average Difference" HN 13 0.656 0.413 0.530 25582
19 1 4 "Average Difference" N 13 3.952 0.095 4.112 25582
20 1 4 "Average Difference" HA 19 0.564 0.215 0.536 25582
21 1 4 "Average Difference" C 12 3.200 2.513 2.070 25582
22 1 4 "Average Difference" CA 16 2.713 2.262 1.547 25582
23 1 4 "Average Difference" CB 13 3.262 3.043 1.223 25582
24 1 4 "Average Difference" HN 13 0.736 0.385 0.653 25582
25 1 5 "Average Difference" N 13 3.716 1.234 3.648 25582
26 1 5 "Average Difference" HA 19 0.513 0.204 0.483 25582
27 1 5 "Average Difference" C 12 3.310 2.545 2.211 25582
28 1 5 "Average Difference" CA 16 2.962 2.569 1.522 25582
29 1 5 "Average Difference" CB 13 2.814 2.479 1.385 25582
30 1 5 "Average Difference" HN 13 0.690 0.398 0.587 25582
31 1 6 "Average Difference" N 13 4.293 1.682 4.111 25582
32 1 6 "Average Difference" HA 19 0.506 0.230 0.463 25582
33 1 6 "Average Difference" C 12 3.291 2.510 2.224 25582
34 1 6 "Average Difference" CA 16 2.527 1.959 1.648 25582
35 1 6 "Average Difference" CB 13 2.859 2.578 1.285 25582
36 1 6 "Average Difference" HN 13 0.819 0.569 0.613 25582
37 1 7 "Average Difference" N 13 2.924 0.810 2.924 25582
38 1 7 "Average Difference" HA 19 0.565 0.241 0.525 25582
39 1 7 "Average Difference" C 12 3.318 2.666 2.063 25582
40 1 7 "Average Difference" CA 16 2.936 2.574 1.458 25582
41 1 7 "Average Difference" CB 13 2.927 2.608 1.385 25582
42 1 7 "Average Difference" HN 13 0.750 0.383 0.671 25582
43 1 8 "Average Difference" N 13 3.820 0.957 3.849 25582
44 1 8 "Average Difference" HA 19 0.525 0.194 0.502 25582
45 1 8 "Average Difference" C 12 3.293 2.503 2.236 25582
46 1 8 "Average Difference" CA 16 2.827 2.397 1.549 25582
47 1 8 "Average Difference" CB 13 3.100 2.881 1.190 25582
48 1 8 "Average Difference" HN 13 0.770 0.424 0.670 25582
49 1 9 "Average Difference" N 13 4.320 1.395 4.256 25582
50 1 9 "Average Difference" HA 19 0.503 0.178 0.483 25582
51 1 9 "Average Difference" C 12 3.299 2.592 2.130 25582
52 1 9 "Average Difference" CA 16 2.837 2.407 1.551 25582
53 1 9 "Average Difference" CB 13 2.914 2.592 1.385 25582
54 1 9 "Average Difference" HN 13 0.728 0.412 0.625 25582
55 1 10 "Average Difference" N 13 3.990 1.173 3.969 25582
56 1 10 "Average Difference" HA 19 0.474 0.144 0.464 25582
57 1 10 "Average Difference" C 12 3.438 2.675 2.256 25582
58 1 10 "Average Difference" CA 16 2.821 2.527 1.296 25582
59 1 10 "Average Difference" CB 13 2.860 2.468 1.505 25582
60 1 10 "Average Difference" HN 13 0.668 0.299 0.622 25582
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 25582
_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 3 3 HIS HA H 3 4.409 4.409 4.534 -0.125 25582
2 1 . 1 1 3 3 HIS CA C 3 53.098 53.098 54.520 -1.422 25582
3 1 . 1 1 3 3 HIS CB C 3 28.867 28.867 29.009 -0.142 25582
4 1 . 1 1 4 4 PRO HA H 4 3.972 3.972 3.875 0.097 25582
5 1 . 1 1 4 4 PRO CA C 4 60.186 60.186 64.020 -3.834 25582
6 1 . 1 1 4 4 PRO CB C 4 29.541 29.541 31.756 -2.215 25582
7 1 . 1 1 5 5 GLY N N 5 107.940 107.940 106.678 1.262 25582
8 1 . 1 1 5 5 GLY C C 5 175.807 175.807 174.681 1.126 25582
9 1 . 1 1 5 5 GLY CA C 5 43.979 43.979 45.720 -1.741 25582
10 1 . 1 1 5 5 GLY H H 5 8.315 8.315 8.607 -0.291 25582
11 1 . 1 1 6 6 HIS N N 6 114.183 114.183 118.675 -4.492 25582
12 1 . 1 1 6 6 HIS HA H 6 4.511 4.511 4.649 -0.138 25582
13 1 . 1 1 6 6 HIS C C 6 171.192 171.192 175.170 -3.978 25582
14 1 . 1 1 6 6 HIS CA C 6 53.404 53.404 55.446 -2.042 25582
15 1 . 1 1 6 6 HIS CB C 6 27.292 27.292 29.884 -2.592 25582
16 1 . 1 1 6 6 HIS H H 6 7.457 7.457 7.640 -0.183 25582
17 1 . 1 1 7 7 LEU N N 7 121.536 121.536 120.857 0.679 25582
18 1 . 1 1 7 7 LEU HA H 7 3.903 3.903 4.382 -0.479 25582
19 1 . 1 1 7 7 LEU C C 7 172.872 172.872 176.404 -3.532 25582
20 1 . 1 1 7 7 LEU CA C 7 51.661 51.661 54.136 -2.475 25582
21 1 . 1 1 7 7 LEU CB C 7 39.808 39.808 43.002 -3.194 25582
22 1 . 1 1 7 7 LEU H H 7 6.540 6.540 7.494 -0.954 25582
23 1 . 1 1 8 8 LYS N N 8 119.261 119.261 121.186 -1.925 25582
24 1 . 1 1 8 8 LYS HA H 8 4.508 4.508 4.502 0.006 25582
25 1 . 1 1 8 8 LYS C C 8 172.587 172.587 176.104 -3.517 25582
26 1 . 1 1 8 8 LYS CA C 8 51.252 51.252 55.646 -4.395 25582
27 1 . 1 1 8 8 LYS CB C 8 33.375 33.375 34.278 -0.903 25582
28 1 . 1 1 8 8 LYS H H 8 8.492 8.492 8.376 0.116 25582
29 1 . 1 1 9 9 GLY N N 9 112.295 112.295 112.404 -0.109 25582
30 1 . 1 1 9 9 GLY C C 9 174.090 174.090 175.014 -0.924 25582
31 1 . 1 1 9 9 GLY CA C 9 43.824 43.824 44.523 -0.699 25582
32 1 . 1 1 9 9 GLY H H 9 8.694 8.694 8.203 0.491 25582
33 1 . 1 1 10 10 ARG N N 10 126.817 126.817 120.955 5.862 25582
34 1 . 1 1 10 10 ARG HA H 10 3.036 3.036 3.958 -0.922 25582
35 1 . 1 1 10 10 ARG C C 10 171.915 171.915 178.018 -6.103 25582
36 1 . 1 1 10 10 ARG CA C 10 55.701 55.701 58.636 -2.935 25582
37 1 . 1 1 10 10 ARG CB C 10 26.571 26.571 30.119 -3.548 25582
38 1 . 1 1 10 10 ARG H H 10 8.798 8.798 8.721 0.077 25582
39 1 . 1 1 11 11 GLU N N 11 113.440 113.440 119.582 -6.143 25582
40 1 . 1 1 11 11 GLU HA H 11 3.640 3.640 4.128 -0.488 25582
41 1 . 1 1 11 11 GLU C C 11 173.276 173.276 178.936 -5.661 25582
42 1 . 1 1 11 11 GLU CA C 11 55.429 55.429 59.215 -3.786 25582
43 1 . 1 1 11 11 GLU CB C 11 27.765 27.765 29.283 -1.518 25582
44 1 . 1 1 11 11 GLU H H 11 7.453 7.453 8.068 -0.615 25582
45 1 . 1 1 12 12 ILE N N 12 118.236 118.236 118.908 -0.672 25582
46 1 . 1 1 12 12 ILE HA H 12 2.869 2.869 4.161 -1.292 25582
47 1 . 1 1 12 12 ILE C C 12 176.838 176.838 177.507 -0.669 25582
48 1 . 1 1 12 12 ILE CA C 12 62.604 62.604 62.986 -0.382 25582
49 1 . 1 1 12 12 ILE CB C 12 34.803 34.803 38.205 -3.402 25582
50 1 . 1 1 12 12 ILE H H 12 7.499 7.499 8.050 -0.551 25582
51 1 . 1 1 13 13 GLY N N 13 104.389 104.389 108.237 -3.848 25582
52 1 . 1 1 13 13 GLY C C 13 174.111 174.111 175.493 -1.382 25582
53 1 . 1 1 13 13 GLY CA C 13 45.606 45.606 46.967 -1.361 25582
54 1 . 1 1 13 13 GLY H H 13 6.135 6.135 7.751 -1.616 25582
55 1 . 1 1 14 14 MET N N 14 114.865 114.865 117.356 -2.491 25582
56 1 . 1 1 14 14 MET HA H 14 3.952 3.952 4.777 -0.825 25582
57 1 . 1 1 14 14 MET CA C 14 53.002 53.002 54.612 -1.610 25582
58 1 . 1 1 14 14 MET CB C 14 30.242 30.242 33.232 -2.990 25582
59 1 . 1 1 14 14 MET H H 14 7.977 7.977 7.989 -0.012 25582
60 1 . 1 1 15 15 TRP N N 15 122.784 122.784 122.242 0.542 25582
61 1 . 1 1 15 15 TRP HA H 15 3.725 3.725 4.370 -0.645 25582
62 1 . 1 1 15 15 TRP C C 15 175.377 175.377 176.803 -1.426 25582
63 1 . 1 1 15 15 TRP CA C 15 59.311 59.311 60.330 -1.018 25582
64 1 . 1 1 15 15 TRP CB C 15 25.410 25.410 30.537 -5.127 25582
65 1 . 1 1 15 15 TRP H H 15 7.489 7.489 8.094 -0.605 25582
66 1 . 1 1 17 17 ALA HA H 17 3.773 3.773 3.985 -0.212 25582
67 1 . 1 1 17 17 ALA CA C 17 51.092 51.092 52.732 -1.640 25582
68 1 . 1 1 17 17 ALA CB C 17 15.083 15.083 18.439 -3.356 25582
69 1 . 1 1 18 18 LYS N N 18 115.668 115.668 121.024 -5.356 25582
70 1 . 1 1 18 18 LYS HA H 18 4.002 4.002 3.892 0.110 25582
71 1 . 1 1 18 18 LYS C C 18 175.108 175.108 176.754 -1.646 25582
72 1 . 1 1 18 18 LYS CA C 18 52.995 52.995 56.813 -3.818 25582
73 1 . 1 1 18 18 LYS CB C 18 28.686 28.686 32.123 -3.437 25582
74 1 . 1 1 18 18 LYS H H 18 7.246 7.246 8.112 -0.866 25582
75 1 . 1 1 19 19 LYS N N 19 121.064 121.064 117.200 3.864 25582
76 1 . 1 1 19 19 LYS HA H 19 3.858 3.858 3.845 0.013 25582
77 1 . 1 1 19 19 LYS C C 19 172.881 172.881 176.107 -3.226 25582
78 1 . 1 1 19 19 LYS CA C 19 53.325 53.325 57.967 -4.643 25582
79 1 . 1 1 19 19 LYS CB C 19 29.238 29.238 31.179 -1.941 25582
80 1 . 1 1 19 19 LYS H H 19 7.841 7.841 7.942 -0.101 25582
stop_
save_