data_18363
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18363
_Entry.PDB_ID 2LRF
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 18363
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 CYS N N 2 122.143 122.143 124.377 -2.234 18363
2 1 1 . 1 1 2 2 CYS HA H 2 4.867 4.867 4.376 0.491 18363
3 1 1 . 1 1 2 2 CYS H H 2 8.875 8.875 8.151 0.724 18363
4 1 1 . 1 1 3 3 HIS N N 3 121.482 121.482 121.703 -0.221 18363
5 1 1 . 1 1 3 3 HIS HA H 3 4.738 4.738 5.290 -0.552 18363
6 1 1 . 1 1 3 3 HIS CA C 3 52.500 52.500 55.013 -2.513 18363
7 1 1 . 1 1 3 3 HIS CB C 3 26.230 26.230 31.927 -5.697 18363
8 1 1 . 1 1 3 3 HIS H H 3 9.010 9.010 7.936 1.074 18363
9 1 1 . 1 1 4 4 ILE N N 4 123.626 123.626 117.511 6.115 18363
10 1 1 . 1 1 4 4 ILE HA H 4 4.189 4.189 4.565 -0.376 18363
11 1 1 . 1 1 4 4 ILE CA C 4 58.576 58.576 60.094 -1.518 18363
12 1 1 . 1 1 4 4 ILE CB C 4 35.731 35.731 39.754 -4.023 18363
13 1 1 . 1 1 4 4 ILE H H 4 8.425 8.425 8.354 0.071 18363
14 1 1 . 1 1 5 5 ARG N N 5 126.410 126.410 119.184 7.226 18363
15 1 1 . 1 1 5 5 ARG HA H 5 4.414 4.414 4.409 0.005 18363
16 1 1 . 1 1 5 5 ARG CA C 5 53.653 53.653 55.914 -2.261 18363
17 1 1 . 1 1 5 5 ARG CB C 5 29.043 29.043 30.502 -1.459 18363
18 1 1 . 1 1 5 5 ARG H H 5 8.711 8.711 8.469 0.242 18363
19 1 1 . 1 1 6 6 ARG N N 6 122.179 122.179 124.278 -2.099 18363
20 1 1 . 1 1 6 6 ARG HA H 6 4.367 4.367 4.151 0.216 18363
21 1 1 . 1 1 6 6 ARG CA C 6 52.886 52.886 56.543 -3.657 18363
22 1 1 . 1 1 6 6 ARG CB C 6 28.586 28.586 29.885 -1.299 18363
23 1 1 . 1 1 6 6 ARG H H 6 8.325 8.325 8.153 0.172 18363
24 1 1 . 1 1 7 7 LYS N N 7 123.819 123.819 125.921 -2.102 18363
25 1 1 . 1 1 7 7 LYS HA H 7 4.476 4.476 4.336 0.140 18363
26 1 1 . 1 1 7 7 LYS CA C 7 51.935 51.935 55.013 -3.078 18363
27 1 1 . 1 1 7 7 LYS CB C 7 29.578 29.578 31.215 -1.637 18363
28 1 1 . 1 1 7 7 LYS H H 7 8.447 8.447 8.100 0.347 18363
29 1 1 . 1 1 8 8 PRO HA H 8 4.393 4.393 4.430 -0.037 18363
30 1 1 . 1 1 8 8 PRO CA C 8 60.435 60.435 63.118 -2.683 18363
31 1 1 . 1 1 8 8 PRO CB C 8 29.255 29.255 32.118 -2.863 18363
32 1 1 . 1 1 9 9 LYS N N 9 120.323 120.323 121.604 -1.281 18363
33 1 1 . 1 1 9 9 LYS HA H 9 4.166 4.166 4.460 -0.294 18363
34 1 1 . 1 1 9 9 LYS CA C 9 54.057 54.057 56.459 -2.402 18363
35 1 1 . 1 1 9 9 LYS CB C 9 29.997 29.997 33.717 -3.720 18363
36 1 1 . 1 1 9 9 LYS H H 9 8.399 8.399 7.737 0.662 18363
37 1 1 . 1 1 10 10 PHE N N 10 121.894 121.894 119.447 2.447 18363
38 1 1 . 1 1 10 10 PHE HA H 10 4.688 4.688 4.309 0.379 18363
39 1 1 . 1 1 10 10 PHE CA C 10 55.395 55.395 60.122 -4.727 18363
40 1 1 . 1 1 10 10 PHE CB C 10 37.156 37.156 38.764 -1.608 18363
41 1 1 . 1 1 10 10 PHE H H 10 8.053 8.053 8.760 -0.707 18363
42 1 1 . 1 1 11 11 ARG N N 11 122.102 122.102 121.739 0.363 18363
43 1 1 . 1 1 11 11 ARG HA H 11 4.269 4.269 4.340 -0.071 18363
44 1 1 . 1 1 11 11 ARG CA C 11 53.554 53.554 55.014 -1.460 18363
45 1 1 . 1 1 11 11 ARG CB C 11 28.504 28.504 31.436 -2.932 18363
46 1 1 . 1 1 11 11 ARG H H 11 8.213 8.213 7.962 0.251 18363
47 1 1 . 1 1 12 12 LYS N N 12 121.158 121.158 120.118 1.040 18363
48 1 1 . 1 1 12 12 LYS HA H 12 4.215 4.215 4.512 -0.297 18363
49 1 1 . 1 1 12 12 LYS CA C 12 53.741 53.741 56.510 -2.769 18363
50 1 1 . 1 1 12 12 LYS CB C 12 29.790 29.790 32.833 -3.043 18363
51 1 1 . 1 1 12 12 LYS H H 12 8.188 8.188 8.392 -0.204 18363
52 1 1 . 1 1 13 13 PHE N N 13 119.869 119.869 120.815 -0.946 18363
53 1 1 . 1 1 13 13 PHE HA H 13 4.668 4.668 4.530 0.138 18363
54 1 1 . 1 1 13 13 PHE CA C 13 54.624 54.624 58.482 -3.858 18363
55 1 1 . 1 1 13 13 PHE CB C 13 40.464 40.464 39.825 0.639 18363
56 1 1 . 1 1 13 13 PHE H H 13 8.042 8.042 8.136 -0.094 18363
57 1 1 . 1 1 14 14 LYS N N 14 122.425 122.425 120.829 1.596 18363
58 1 1 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.296 -0.068 18363
59 1 1 . 1 1 14 14 LYS CA C 14 57.694 57.694 54.706 2.988 18363
60 1 1 . 1 1 14 14 LYS CB C 14 29.816 29.816 34.908 -5.092 18363
61 1 1 . 1 1 14 14 LYS H H 14 8.297 8.297 8.274 0.023 18363
62 1 1 . 1 1 15 15 LEU N N 15 118.890 118.890 118.681 0.209 18363
63 1 1 . 1 1 15 15 LEU HA H 15 4.406 4.406 2.942 1.464 18363
64 1 1 . 1 1 15 15 LEU CA C 15 52.480 52.480 54.722 -2.242 18363
65 1 1 . 1 1 15 15 LEU CB C 15 40.168 40.168 39.221 0.947 18363
66 1 1 . 1 1 15 15 LEU H H 15 8.064 8.064 6.633 1.431 18363
67 1 1 . 1 1 16 16 TYR N N 16 120.952 120.952 115.484 5.468 18363
68 1 1 . 1 1 16 16 TYR HA H 16 4.583 4.583 4.514 0.069 18363
69 1 1 . 1 1 16 16 TYR CA C 16 54.902 54.902 56.358 -1.456 18363
70 1 1 . 1 1 16 16 TYR CB C 16 39.033 39.033 38.506 0.527 18363
71 1 1 . 1 1 16 16 TYR H H 16 8.382 8.382 7.130 1.252 18363
72 1 1 . 1 1 17 17 HIS N N 17 120.795 120.795 120.372 0.423 18363
73 1 1 . 1 1 17 17 HIS HA H 17 4.526 4.526 4.481 0.045 18363
74 1 1 . 1 1 17 17 HIS CA C 17 51.935 51.935 57.788 -5.853 18363
75 1 1 . 1 1 17 17 HIS CB C 17 26.308 26.308 28.665 -2.357 18363
76 1 1 . 1 1 17 17 HIS H H 17 8.524 8.524 8.923 -0.399 18363
77 1 1 . 1 1 18 18 GLU N N 18 122.417 122.417 123.672 -1.255 18363
78 1 1 . 1 1 18 18 GLU HA H 18 4.340 4.340 4.694 -0.354 18363
79 1 1 . 1 1 18 18 GLU CA C 18 52.989 52.989 55.310 -2.321 18363
80 1 1 . 1 1 18 18 GLU CB C 18 26.490 26.490 31.933 -5.443 18363
81 1 1 . 1 1 18 18 GLU H H 18 8.489 8.489 8.160 0.329 18363
82 1 1 . 1 1 19 19 GLY N N 19 110.487 110.487 109.812 0.675 18363
83 1 1 . 1 1 19 19 GLY CA C 19 42.690 42.690 45.902 -3.212 18363
84 1 1 . 1 1 19 19 GLY H H 19 8.504 8.504 8.402 0.102 18363
85 1 1 . 1 1 20 20 LYS N N 20 120.892 120.892 119.709 1.183 18363
86 1 1 . 1 1 20 20 LYS HA H 20 4.278 4.278 4.584 -0.306 18363
87 1 1 . 1 1 20 20 LYS CB C 20 29.824 29.824 32.408 -2.584 18363
88 1 1 . 1 1 20 20 LYS H H 20 8.348 8.348 8.328 0.020 18363
89 1 1 . 1 1 21 21 PHE N N 21 119.510 119.510 121.179 -1.669 18363
90 1 1 . 1 1 21 21 PHE HA H 21 4.661 4.661 4.601 0.060 18363
91 1 1 . 1 1 21 21 PHE CA C 21 54.625 54.625 57.367 -2.741 18363
92 1 1 . 1 1 21 21 PHE CB C 21 39.439 39.439 39.854 -0.415 18363
93 1 1 . 1 1 21 21 PHE H H 21 8.196 8.196 8.215 -0.019 18363
94 1 1 . 1 1 22 22 TRP N N 22 120.353 120.353 123.398 -3.045 18363
95 1 1 . 1 1 22 22 TRP HA H 22 5.003 5.003 5.085 -0.082 18363
96 1 1 . 1 1 22 22 TRP CA C 22 53.793 53.793 56.309 -2.516 18363
97 1 1 . 1 1 22 22 TRP CB C 22 26.551 26.551 31.424 -4.873 18363
98 1 1 . 1 1 22 22 TRP H H 22 8.292 8.292 8.099 0.193 18363
99 1 1 . 1 1 23 23 CYS N N 23 122.911 122.911 123.072 -0.161 18363
100 1 1 . 1 1 23 23 CYS HA H 23 4.989 4.989 4.588 0.401 18363
101 1 1 . 1 1 23 23 CYS CA C 23 49.940 49.940 58.390 -8.450 18363
102 1 1 . 1 1 23 23 CYS CB C 23 38.541 38.541 26.040 12.501 18363
103 1 1 . 1 1 23 23 CYS H H 23 8.671 8.671 8.602 0.069 18363
104 1 2 . 1 1 2 2 CYS N N 2 122.143 122.143 123.083 -0.940 18363
105 1 2 . 1 1 2 2 CYS HA H 2 4.867 4.867 4.460 0.407 18363
106 1 2 . 1 1 2 2 CYS H H 2 8.875 8.875 8.423 0.452 18363
107 1 2 . 1 1 3 3 HIS N N 3 121.482 121.482 121.219 0.263 18363
108 1 2 . 1 1 3 3 HIS HA H 3 4.738 4.738 4.910 -0.172 18363
109 1 2 . 1 1 3 3 HIS CA C 3 52.500 52.500 55.029 -2.529 18363
110 1 2 . 1 1 3 3 HIS CB C 3 26.230 26.230 29.795 -3.565 18363
111 1 2 . 1 1 3 3 HIS H H 3 9.010 9.010 8.094 0.916 18363
112 1 2 . 1 1 4 4 ILE N N 4 123.626 123.626 121.059 2.567 18363
113 1 2 . 1 1 4 4 ILE HA H 4 4.189 4.189 4.119 0.070 18363
114 1 2 . 1 1 4 4 ILE CA C 4 58.576 58.576 61.541 -2.965 18363
115 1 2 . 1 1 4 4 ILE CB C 4 35.731 35.731 39.024 -3.293 18363
116 1 2 . 1 1 4 4 ILE H H 4 8.425 8.425 8.485 -0.060 18363
117 1 2 . 1 1 5 5 ARG N N 5 126.410 126.410 119.676 6.734 18363
118 1 2 . 1 1 5 5 ARG HA H 5 4.414 4.414 4.375 0.039 18363
119 1 2 . 1 1 5 5 ARG CA C 5 53.653 53.653 55.905 -2.252 18363
120 1 2 . 1 1 5 5 ARG CB C 5 29.043 29.043 30.665 -1.622 18363
121 1 2 . 1 1 5 5 ARG H H 5 8.711 8.711 8.321 0.390 18363
122 1 2 . 1 1 6 6 ARG N N 6 122.179 122.179 122.789 -0.610 18363
123 1 2 . 1 1 6 6 ARG HA H 6 4.367 4.367 4.120 0.247 18363
124 1 2 . 1 1 6 6 ARG CA C 6 52.886 52.886 56.694 -3.808 18363
125 1 2 . 1 1 6 6 ARG CB C 6 28.586 28.586 29.794 -1.208 18363
126 1 2 . 1 1 6 6 ARG H H 6 8.325 8.325 8.230 0.095 18363
127 1 2 . 1 1 7 7 LYS N N 7 123.819 123.819 126.756 -2.937 18363
128 1 2 . 1 1 7 7 LYS HA H 7 4.476 4.476 4.403 0.073 18363
129 1 2 . 1 1 7 7 LYS CA C 7 51.935 51.935 54.852 -2.917 18363
130 1 2 . 1 1 7 7 LYS CB C 7 29.578 29.578 32.203 -2.625 18363
131 1 2 . 1 1 7 7 LYS H H 7 8.447 8.447 8.238 0.209 18363
132 1 2 . 1 1 8 8 PRO HA H 8 4.393 4.393 4.459 -0.066 18363
133 1 2 . 1 1 8 8 PRO CA C 8 60.435 60.435 63.396 -2.961 18363
134 1 2 . 1 1 8 8 PRO CB C 8 29.255 29.255 32.047 -2.792 18363
135 1 2 . 1 1 9 9 LYS N N 9 120.323 120.323 121.206 -0.883 18363
136 1 2 . 1 1 9 9 LYS HA H 9 4.166 4.166 4.480 -0.314 18363
137 1 2 . 1 1 9 9 LYS CA C 9 54.057 54.057 55.753 -1.696 18363
138 1 2 . 1 1 9 9 LYS CB C 9 29.997 29.997 33.118 -3.121 18363
139 1 2 . 1 1 9 9 LYS H H 9 8.399 8.399 7.669 0.730 18363
140 1 2 . 1 1 10 10 PHE N N 10 121.894 121.894 119.402 2.492 18363
141 1 2 . 1 1 10 10 PHE HA H 10 4.688 4.688 4.293 0.395 18363
142 1 2 . 1 1 10 10 PHE CA C 10 55.395 55.395 60.264 -4.869 18363
143 1 2 . 1 1 10 10 PHE CB C 10 37.156 37.156 38.115 -0.959 18363
144 1 2 . 1 1 10 10 PHE H H 10 8.053 8.053 9.035 -0.982 18363
145 1 2 . 1 1 11 11 ARG N N 11 122.102 122.102 120.987 1.115 18363
146 1 2 . 1 1 11 11 ARG HA H 11 4.269 4.269 4.514 -0.245 18363
147 1 2 . 1 1 11 11 ARG CA C 11 53.554 53.554 55.219 -1.665 18363
148 1 2 . 1 1 11 11 ARG CB C 11 28.504 28.504 32.036 -3.532 18363
149 1 2 . 1 1 11 11 ARG H H 11 8.213 8.213 7.773 0.440 18363
150 1 2 . 1 1 12 12 LYS N N 12 121.158 121.158 121.384 -0.226 18363
151 1 2 . 1 1 12 12 LYS HA H 12 4.215 4.215 4.129 0.086 18363
152 1 2 . 1 1 12 12 LYS CA C 12 53.741 53.741 57.361 -3.620 18363
153 1 2 . 1 1 12 12 LYS CB C 12 29.790 29.790 32.363 -2.573 18363
154 1 2 . 1 1 12 12 LYS H H 12 8.188 8.188 8.502 -0.314 18363
155 1 2 . 1 1 13 13 PHE N N 13 119.869 119.869 121.109 -1.240 18363
156 1 2 . 1 1 13 13 PHE HA H 13 4.668 4.668 4.749 -0.081 18363
157 1 2 . 1 1 13 13 PHE CA C 13 54.624 54.624 56.828 -2.204 18363
158 1 2 . 1 1 13 13 PHE CB C 13 40.464 40.464 40.000 0.464 18363
159 1 2 . 1 1 13 13 PHE H H 13 8.042 8.042 7.839 0.203 18363
160 1 2 . 1 1 14 14 LYS N N 14 122.425 122.425 123.705 -1.280 18363
161 1 2 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.243 -0.015 18363
162 1 2 . 1 1 14 14 LYS CA C 14 57.694 57.694 54.859 2.835 18363
163 1 2 . 1 1 14 14 LYS CB C 14 29.816 29.816 34.795 -4.979 18363
164 1 2 . 1 1 14 14 LYS H H 14 8.297 8.297 8.743 -0.446 18363
165 1 2 . 1 1 15 15 LEU N N 15 118.890 118.890 118.538 0.352 18363
166 1 2 . 1 1 15 15 LEU HA H 15 4.406 4.406 2.809 1.597 18363
167 1 2 . 1 1 15 15 LEU CA C 15 52.480 52.480 54.668 -2.188 18363
168 1 2 . 1 1 15 15 LEU CB C 15 40.168 40.168 38.970 1.198 18363
169 1 2 . 1 1 15 15 LEU H H 15 8.064 8.064 6.589 1.475 18363
170 1 2 . 1 1 16 16 TYR N N 16 120.952 120.952 115.767 5.185 18363
171 1 2 . 1 1 16 16 TYR HA H 16 4.583 4.583 4.370 0.213 18363
172 1 2 . 1 1 16 16 TYR CA C 16 54.902 54.902 56.090 -1.188 18363
173 1 2 . 1 1 16 16 TYR CB C 16 39.033 39.033 38.307 0.726 18363
174 1 2 . 1 1 16 16 TYR H H 16 8.382 8.382 6.959 1.423 18363
175 1 2 . 1 1 17 17 HIS N N 17 120.795 120.795 119.903 0.892 18363
176 1 2 . 1 1 17 17 HIS HA H 17 4.526 4.526 4.499 0.027 18363
177 1 2 . 1 1 17 17 HIS CA C 17 51.935 51.935 57.887 -5.952 18363
178 1 2 . 1 1 17 17 HIS CB C 17 26.308 26.308 28.336 -2.028 18363
179 1 2 . 1 1 17 17 HIS H H 17 8.524 8.524 8.846 -0.322 18363
180 1 2 . 1 1 18 18 GLU N N 18 122.417 122.417 123.542 -1.125 18363
181 1 2 . 1 1 18 18 GLU HA H 18 4.340 4.340 4.716 -0.376 18363
182 1 2 . 1 1 18 18 GLU CA C 18 52.989 52.989 55.205 -2.216 18363
183 1 2 . 1 1 18 18 GLU CB C 18 26.490 26.490 31.982 -5.492 18363
184 1 2 . 1 1 18 18 GLU H H 18 8.489 8.489 8.179 0.310 18363
185 1 2 . 1 1 19 19 GLY N N 19 110.487 110.487 109.518 0.969 18363
186 1 2 . 1 1 19 19 GLY CA C 19 42.690 42.690 45.678 -2.988 18363
187 1 2 . 1 1 19 19 GLY H H 19 8.504 8.504 8.392 0.112 18363
188 1 2 . 1 1 20 20 LYS N N 20 120.892 120.892 119.807 1.085 18363
189 1 2 . 1 1 20 20 LYS HA H 20 4.278 4.278 4.621 -0.343 18363
190 1 2 . 1 1 20 20 LYS CB C 20 29.824 29.824 32.427 -2.603 18363
191 1 2 . 1 1 20 20 LYS H H 20 8.348 8.348 8.342 0.006 18363
192 1 2 . 1 1 21 21 PHE N N 21 119.510 119.510 121.521 -2.011 18363
193 1 2 . 1 1 21 21 PHE HA H 21 4.661 4.661 4.646 0.015 18363
194 1 2 . 1 1 21 21 PHE CA C 21 54.625 54.625 57.945 -3.320 18363
195 1 2 . 1 1 21 21 PHE CB C 21 39.439 39.439 39.909 -0.470 18363
196 1 2 . 1 1 21 21 PHE H H 21 8.196 8.196 8.413 -0.217 18363
197 1 2 . 1 1 22 22 TRP N N 22 120.353 120.353 125.150 -4.797 18363
198 1 2 . 1 1 22 22 TRP HA H 22 5.003 5.003 5.118 -0.115 18363
199 1 2 . 1 1 22 22 TRP CA C 22 53.793 53.793 56.536 -2.743 18363
200 1 2 . 1 1 22 22 TRP CB C 22 26.551 26.551 31.682 -5.131 18363
201 1 2 . 1 1 22 22 TRP H H 22 8.292 8.292 8.197 0.095 18363
202 1 2 . 1 1 23 23 CYS N N 23 122.911 122.911 123.240 -0.329 18363
203 1 2 . 1 1 23 23 CYS HA H 23 4.989 4.989 4.543 0.446 18363
204 1 2 . 1 1 23 23 CYS CA C 23 49.940 49.940 58.988 -9.048 18363
205 1 2 . 1 1 23 23 CYS CB C 23 38.541 38.541 26.805 11.736 18363
206 1 2 . 1 1 23 23 CYS H H 23 8.671 8.671 8.635 0.036 18363
207 1 3 . 1 1 2 2 CYS N N 2 122.143 122.143 124.507 -2.364 18363
208 1 3 . 1 1 2 2 CYS HA H 2 4.867 4.867 4.435 0.432 18363
209 1 3 . 1 1 2 2 CYS H H 2 8.875 8.875 8.163 0.712 18363
210 1 3 . 1 1 3 3 HIS N N 3 121.482 121.482 124.815 -3.333 18363
211 1 3 . 1 1 3 3 HIS HA H 3 4.738 4.738 5.146 -0.408 18363
212 1 3 . 1 1 3 3 HIS CA C 3 52.500 52.500 55.746 -3.246 18363
213 1 3 . 1 1 3 3 HIS CB C 3 26.230 26.230 31.485 -5.255 18363
214 1 3 . 1 1 3 3 HIS H H 3 9.010 9.010 8.416 0.594 18363
215 1 3 . 1 1 4 4 ILE N N 4 123.626 123.626 124.415 -0.789 18363
216 1 3 . 1 1 4 4 ILE HA H 4 4.189 4.189 4.410 -0.221 18363
217 1 3 . 1 1 4 4 ILE CA C 4 58.576 58.576 60.271 -1.695 18363
218 1 3 . 1 1 4 4 ILE CB C 4 35.731 35.731 40.088 -4.357 18363
219 1 3 . 1 1 4 4 ILE H H 4 8.425 8.425 8.376 0.049 18363
220 1 3 . 1 1 5 5 ARG N N 5 126.410 126.410 119.965 6.445 18363
221 1 3 . 1 1 5 5 ARG HA H 5 4.414 4.414 4.469 -0.055 18363
222 1 3 . 1 1 5 5 ARG CA C 5 53.653 53.653 55.753 -2.100 18363
223 1 3 . 1 1 5 5 ARG CB C 5 29.043 29.043 31.016 -1.973 18363
224 1 3 . 1 1 5 5 ARG H H 5 8.711 8.711 8.294 0.417 18363
225 1 3 . 1 1 6 6 ARG N N 6 122.179 122.179 122.683 -0.504 18363
226 1 3 . 1 1 6 6 ARG HA H 6 4.367 4.367 4.157 0.210 18363
227 1 3 . 1 1 6 6 ARG CA C 6 52.886 52.886 56.656 -3.770 18363
228 1 3 . 1 1 6 6 ARG CB C 6 28.586 28.586 29.379 -0.793 18363
229 1 3 . 1 1 6 6 ARG H H 6 8.325 8.325 8.274 0.050 18363
230 1 3 . 1 1 7 7 LYS N N 7 123.819 123.819 125.188 -1.369 18363
231 1 3 . 1 1 7 7 LYS HA H 7 4.476 4.476 4.379 0.097 18363
232 1 3 . 1 1 7 7 LYS CA C 7 51.935 51.935 54.527 -2.592 18363
233 1 3 . 1 1 7 7 LYS CB C 7 29.578 29.578 31.596 -2.018 18363
234 1 3 . 1 1 7 7 LYS H H 7 8.447 8.447 8.233 0.214 18363
235 1 3 . 1 1 8 8 PRO HA H 8 4.393 4.393 4.335 0.058 18363
236 1 3 . 1 1 8 8 PRO CA C 8 60.435 60.435 63.327 -2.892 18363
237 1 3 . 1 1 8 8 PRO CB C 8 29.255 29.255 32.153 -2.898 18363
238 1 3 . 1 1 9 9 LYS N N 9 120.323 120.323 121.241 -0.918 18363
239 1 3 . 1 1 9 9 LYS HA H 9 4.166 4.166 4.470 -0.304 18363
240 1 3 . 1 1 9 9 LYS CA C 9 54.057 54.057 55.577 -1.520 18363
241 1 3 . 1 1 9 9 LYS CB C 9 29.997 29.997 33.136 -3.139 18363
242 1 3 . 1 1 9 9 LYS H H 9 8.399 8.399 7.844 0.555 18363
243 1 3 . 1 1 10 10 PHE N N 10 121.894 121.894 119.630 2.264 18363
244 1 3 . 1 1 10 10 PHE HA H 10 4.688 4.688 4.267 0.421 18363
245 1 3 . 1 1 10 10 PHE CA C 10 55.395 55.395 60.266 -4.871 18363
246 1 3 . 1 1 10 10 PHE CB C 10 37.156 37.156 38.520 -1.364 18363
247 1 3 . 1 1 10 10 PHE H H 10 8.053 8.053 9.120 -1.067 18363
248 1 3 . 1 1 11 11 ARG N N 11 122.102 122.102 122.656 -0.554 18363
249 1 3 . 1 1 11 11 ARG HA H 11 4.269 4.269 4.301 -0.032 18363
250 1 3 . 1 1 11 11 ARG CA C 11 53.554 53.554 55.010 -1.456 18363
251 1 3 . 1 1 11 11 ARG CB C 11 28.504 28.504 31.356 -2.852 18363
252 1 3 . 1 1 11 11 ARG H H 11 8.213 8.213 7.975 0.238 18363
253 1 3 . 1 1 12 12 LYS N N 12 121.158 121.158 120.171 0.987 18363
254 1 3 . 1 1 12 12 LYS HA H 12 4.215 4.215 4.348 -0.133 18363
255 1 3 . 1 1 12 12 LYS CA C 12 53.741 53.741 56.277 -2.536 18363
256 1 3 . 1 1 12 12 LYS CB C 12 29.790 29.790 32.835 -3.045 18363
257 1 3 . 1 1 12 12 LYS H H 12 8.188 8.188 8.349 -0.161 18363
258 1 3 . 1 1 13 13 PHE N N 13 119.869 119.869 121.306 -1.437 18363
259 1 3 . 1 1 13 13 PHE HA H 13 4.668 4.668 4.503 0.165 18363
260 1 3 . 1 1 13 13 PHE CA C 13 54.624 54.624 58.099 -3.475 18363
261 1 3 . 1 1 13 13 PHE CB C 13 40.464 40.464 39.628 0.836 18363
262 1 3 . 1 1 13 13 PHE H H 13 8.042 8.042 8.119 -0.077 18363
263 1 3 . 1 1 14 14 LYS N N 14 122.425 122.425 124.066 -1.641 18363
264 1 3 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.318 -0.090 18363
265 1 3 . 1 1 14 14 LYS CA C 14 57.694 57.694 55.115 2.579 18363
266 1 3 . 1 1 14 14 LYS CB C 14 29.816 29.816 34.225 -4.409 18363
267 1 3 . 1 1 14 14 LYS H H 14 8.297 8.297 8.466 -0.169 18363
268 1 3 . 1 1 15 15 LEU N N 15 118.890 118.890 118.587 0.303 18363
269 1 3 . 1 1 15 15 LEU HA H 15 4.406 4.406 2.784 1.622 18363
270 1 3 . 1 1 15 15 LEU CA C 15 52.480 52.480 54.569 -2.089 18363
271 1 3 . 1 1 15 15 LEU CB C 15 40.168 40.168 38.896 1.272 18363
272 1 3 . 1 1 15 15 LEU H H 15 8.064 8.064 6.611 1.453 18363
273 1 3 . 1 1 16 16 TYR N N 16 120.952 120.952 116.169 4.783 18363
274 1 3 . 1 1 16 16 TYR HA H 16 4.583 4.583 4.353 0.230 18363
275 1 3 . 1 1 16 16 TYR CA C 16 54.902 54.902 56.237 -1.335 18363
276 1 3 . 1 1 16 16 TYR CB C 16 39.033 39.033 38.318 0.715 18363
277 1 3 . 1 1 16 16 TYR H H 16 8.382 8.382 7.165 1.217 18363
278 1 3 . 1 1 17 17 HIS N N 17 120.795 120.795 120.985 -0.190 18363
279 1 3 . 1 1 17 17 HIS HA H 17 4.526 4.526 4.399 0.127 18363
280 1 3 . 1 1 17 17 HIS CA C 17 51.935 51.935 57.273 -5.338 18363
281 1 3 . 1 1 17 17 HIS CB C 17 26.308 26.308 28.957 -2.649 18363
282 1 3 . 1 1 17 17 HIS H H 17 8.524 8.524 8.775 -0.251 18363
283 1 3 . 1 1 18 18 GLU N N 18 122.417 122.417 124.844 -2.427 18363
284 1 3 . 1 1 18 18 GLU HA H 18 4.340 4.340 4.594 -0.254 18363
285 1 3 . 1 1 18 18 GLU CA C 18 52.989 52.989 55.364 -2.375 18363
286 1 3 . 1 1 18 18 GLU CB C 18 26.490 26.490 31.895 -5.405 18363
287 1 3 . 1 1 18 18 GLU H H 18 8.489 8.489 8.311 0.178 18363
288 1 3 . 1 1 19 19 GLY N N 19 110.487 110.487 110.511 -0.024 18363
289 1 3 . 1 1 19 19 GLY CA C 19 42.690 42.690 45.635 -2.945 18363
290 1 3 . 1 1 19 19 GLY H H 19 8.504 8.504 8.588 -0.084 18363
291 1 3 . 1 1 20 20 LYS N N 20 120.892 120.892 120.437 0.455 18363
292 1 3 . 1 1 20 20 LYS HA H 20 4.278 4.278 4.606 -0.328 18363
293 1 3 . 1 1 20 20 LYS CB C 20 29.824 29.824 32.873 -3.049 18363
294 1 3 . 1 1 20 20 LYS H H 20 8.348 8.348 8.456 -0.108 18363
295 1 3 . 1 1 21 21 PHE N N 21 119.510 119.510 121.395 -1.885 18363
296 1 3 . 1 1 21 21 PHE HA H 21 4.661 4.661 4.611 0.050 18363
297 1 3 . 1 1 21 21 PHE CA C 21 54.625 54.625 57.832 -3.207 18363
298 1 3 . 1 1 21 21 PHE CB C 21 39.439 39.439 39.895 -0.456 18363
299 1 3 . 1 1 21 21 PHE H H 21 8.196 8.196 8.381 -0.185 18363
300 1 3 . 1 1 22 22 TRP N N 22 120.353 120.353 121.627 -1.274 18363
301 1 3 . 1 1 22 22 TRP HA H 22 5.003 5.003 5.055 -0.052 18363
302 1 3 . 1 1 22 22 TRP CA C 22 53.793 53.793 56.063 -2.270 18363
303 1 3 . 1 1 22 22 TRP CB C 22 26.551 26.551 32.340 -5.790 18363
304 1 3 . 1 1 22 22 TRP H H 22 8.292 8.292 8.129 0.163 18363
305 1 3 . 1 1 23 23 CYS N N 23 122.911 122.911 122.308 0.603 18363
306 1 3 . 1 1 23 23 CYS HA H 23 4.989 4.989 4.549 0.440 18363
307 1 3 . 1 1 23 23 CYS CA C 23 49.940 49.940 58.509 -8.569 18363
308 1 3 . 1 1 23 23 CYS CB C 23 38.541 38.541 27.578 10.963 18363
309 1 3 . 1 1 23 23 CYS H H 23 8.671 8.671 8.539 0.132 18363
310 1 4 . 1 1 2 2 CYS N N 2 122.143 122.143 119.951 2.192 18363
311 1 4 . 1 1 2 2 CYS HA H 2 4.867 4.867 5.163 -0.296 18363
312 1 4 . 1 1 2 2 CYS H H 2 8.875 8.875 9.038 -0.163 18363
313 1 4 . 1 1 3 3 HIS N N 3 121.482 121.482 118.459 3.023 18363
314 1 4 . 1 1 3 3 HIS HA H 3 4.738 4.738 5.102 -0.364 18363
315 1 4 . 1 1 3 3 HIS CA C 3 52.500 52.500 55.586 -3.086 18363
316 1 4 . 1 1 3 3 HIS CB C 3 26.230 26.230 31.314 -5.084 18363
317 1 4 . 1 1 3 3 HIS H H 3 9.010 9.010 7.898 1.112 18363
318 1 4 . 1 1 4 4 ILE N N 4 123.626 123.626 117.045 6.581 18363
319 1 4 . 1 1 4 4 ILE HA H 4 4.189 4.189 4.703 -0.514 18363
320 1 4 . 1 1 4 4 ILE CA C 4 58.576 58.576 59.772 -1.196 18363
321 1 4 . 1 1 4 4 ILE CB C 4 35.731 35.731 40.186 -4.455 18363
322 1 4 . 1 1 4 4 ILE H H 4 8.425 8.425 8.531 -0.106 18363
323 1 4 . 1 1 5 5 ARG N N 5 126.410 126.410 119.557 6.853 18363
324 1 4 . 1 1 5 5 ARG HA H 5 4.414 4.414 4.516 -0.102 18363
325 1 4 . 1 1 5 5 ARG CA C 5 53.653 53.653 55.920 -2.267 18363
326 1 4 . 1 1 5 5 ARG CB C 5 29.043 29.043 30.658 -1.615 18363
327 1 4 . 1 1 5 5 ARG H H 5 8.711 8.711 8.347 0.364 18363
328 1 4 . 1 1 6 6 ARG N N 6 122.179 122.179 123.141 -0.962 18363
329 1 4 . 1 1 6 6 ARG HA H 6 4.367 4.367 4.182 0.185 18363
330 1 4 . 1 1 6 6 ARG CA C 6 52.886 52.886 56.178 -3.292 18363
331 1 4 . 1 1 6 6 ARG CB C 6 28.586 28.586 29.266 -0.680 18363
332 1 4 . 1 1 6 6 ARG H H 6 8.325 8.325 8.183 0.142 18363
333 1 4 . 1 1 7 7 LYS N N 7 123.819 123.819 127.169 -3.350 18363
334 1 4 . 1 1 7 7 LYS HA H 7 4.476 4.476 4.289 0.187 18363
335 1 4 . 1 1 7 7 LYS CA C 7 51.935 51.935 55.715 -3.780 18363
336 1 4 . 1 1 7 7 LYS CB C 7 29.578 29.578 32.016 -2.438 18363
337 1 4 . 1 1 7 7 LYS H H 7 8.447 8.447 8.071 0.376 18363
338 1 4 . 1 1 8 8 PRO HA H 8 4.393 4.393 4.453 -0.060 18363
339 1 4 . 1 1 8 8 PRO CA C 8 60.435 60.435 63.185 -2.750 18363
340 1 4 . 1 1 8 8 PRO CB C 8 29.255 29.255 32.430 -3.175 18363
341 1 4 . 1 1 9 9 LYS N N 9 120.323 120.323 121.854 -1.531 18363
342 1 4 . 1 1 9 9 LYS HA H 9 4.166 4.166 4.475 -0.309 18363
343 1 4 . 1 1 9 9 LYS CA C 9 54.057 54.057 56.217 -2.160 18363
344 1 4 . 1 1 9 9 LYS CB C 9 29.997 29.997 34.176 -4.179 18363
345 1 4 . 1 1 9 9 LYS H H 9 8.399 8.399 8.126 0.273 18363
346 1 4 . 1 1 10 10 PHE N N 10 121.894 121.894 119.896 1.998 18363
347 1 4 . 1 1 10 10 PHE HA H 10 4.688 4.688 4.273 0.415 18363
348 1 4 . 1 1 10 10 PHE CA C 10 55.395 55.395 60.160 -4.765 18363
349 1 4 . 1 1 10 10 PHE CB C 10 37.156 37.156 38.559 -1.403 18363
350 1 4 . 1 1 10 10 PHE H H 10 8.053 8.053 8.695 -0.642 18363
351 1 4 . 1 1 11 11 ARG N N 11 122.102 122.102 122.116 -0.014 18363
352 1 4 . 1 1 11 11 ARG HA H 11 4.269 4.269 4.486 -0.217 18363
353 1 4 . 1 1 11 11 ARG CA C 11 53.554 53.554 55.287 -1.733 18363
354 1 4 . 1 1 11 11 ARG CB C 11 28.504 28.504 31.883 -3.379 18363
355 1 4 . 1 1 11 11 ARG H H 11 8.213 8.213 7.923 0.290 18363
356 1 4 . 1 1 12 12 LYS N N 12 121.158 121.158 122.168 -1.010 18363
357 1 4 . 1 1 12 12 LYS HA H 12 4.215 4.215 4.103 0.112 18363
358 1 4 . 1 1 12 12 LYS CA C 12 53.741 53.741 57.325 -3.584 18363
359 1 4 . 1 1 12 12 LYS CB C 12 29.790 29.790 32.213 -2.423 18363
360 1 4 . 1 1 12 12 LYS H H 12 8.188 8.188 8.502 -0.314 18363
361 1 4 . 1 1 13 13 PHE N N 13 119.869 119.869 120.569 -0.700 18363
362 1 4 . 1 1 13 13 PHE HA H 13 4.668 4.668 4.513 0.155 18363
363 1 4 . 1 1 13 13 PHE CA C 13 54.624 54.624 58.109 -3.485 18363
364 1 4 . 1 1 13 13 PHE CB C 13 40.464 40.464 39.312 1.151 18363
365 1 4 . 1 1 13 13 PHE H H 13 8.042 8.042 7.701 0.341 18363
366 1 4 . 1 1 14 14 LYS N N 14 122.425 122.425 123.999 -1.574 18363
367 1 4 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.290 -0.062 18363
368 1 4 . 1 1 14 14 LYS CA C 14 57.694 57.694 54.828 2.866 18363
369 1 4 . 1 1 14 14 LYS CB C 14 29.816 29.816 34.790 -4.974 18363
370 1 4 . 1 1 14 14 LYS H H 14 8.297 8.297 8.227 0.070 18363
371 1 4 . 1 1 15 15 LEU N N 15 118.890 118.890 115.670 3.220 18363
372 1 4 . 1 1 15 15 LEU HA H 15 4.406 4.406 3.064 1.342 18363
373 1 4 . 1 1 15 15 LEU CA C 15 52.480 52.480 54.830 -2.349 18363
374 1 4 . 1 1 15 15 LEU CB C 15 40.168 40.168 38.853 1.315 18363
375 1 4 . 1 1 15 15 LEU H H 15 8.064 8.064 6.747 1.317 18363
376 1 4 . 1 1 16 16 TYR N N 16 120.952 120.952 115.830 5.122 18363
377 1 4 . 1 1 16 16 TYR HA H 16 4.583 4.583 4.435 0.148 18363
378 1 4 . 1 1 16 16 TYR CA C 16 54.902 54.902 55.992 -1.090 18363
379 1 4 . 1 1 16 16 TYR CB C 16 39.033 39.033 38.395 0.638 18363
380 1 4 . 1 1 16 16 TYR H H 16 8.382 8.382 7.042 1.340 18363
381 1 4 . 1 1 17 17 HIS N N 17 120.795 120.795 121.358 -0.563 18363
382 1 4 . 1 1 17 17 HIS HA H 17 4.526 4.526 4.459 0.067 18363
383 1 4 . 1 1 17 17 HIS CA C 17 51.935 51.935 57.590 -5.654 18363
384 1 4 . 1 1 17 17 HIS CB C 17 26.308 26.308 28.673 -2.365 18363
385 1 4 . 1 1 17 17 HIS H H 17 8.524 8.524 8.847 -0.323 18363
386 1 4 . 1 1 18 18 GLU N N 18 122.417 122.417 124.748 -2.331 18363
387 1 4 . 1 1 18 18 GLU HA H 18 4.340 4.340 4.433 -0.093 18363
388 1 4 . 1 1 18 18 GLU CA C 18 52.989 52.989 55.608 -2.619 18363
389 1 4 . 1 1 18 18 GLU CB C 18 26.490 26.490 32.198 -5.708 18363
390 1 4 . 1 1 18 18 GLU H H 18 8.489 8.489 8.237 0.252 18363
391 1 4 . 1 1 19 19 GLY N N 19 110.487 110.487 109.442 1.045 18363
392 1 4 . 1 1 19 19 GLY CA C 19 42.690 42.690 45.251 -2.561 18363
393 1 4 . 1 1 19 19 GLY H H 19 8.504 8.504 8.507 -0.003 18363
394 1 4 . 1 1 20 20 LYS N N 20 120.892 120.892 120.167 0.725 18363
395 1 4 . 1 1 20 20 LYS HA H 20 4.278 4.278 4.558 -0.280 18363
396 1 4 . 1 1 20 20 LYS CB C 20 29.824 29.824 32.361 -2.537 18363
397 1 4 . 1 1 20 20 LYS H H 20 8.348 8.348 8.437 -0.089 18363
398 1 4 . 1 1 21 21 PHE N N 21 119.510 119.510 122.486 -2.976 18363
399 1 4 . 1 1 21 21 PHE HA H 21 4.661 4.661 4.509 0.152 18363
400 1 4 . 1 1 21 21 PHE CA C 21 54.625 54.625 57.596 -2.971 18363
401 1 4 . 1 1 21 21 PHE CB C 21 39.439 39.439 40.067 -0.628 18363
402 1 4 . 1 1 21 21 PHE H H 21 8.196 8.196 8.327 -0.131 18363
403 1 4 . 1 1 22 22 TRP N N 22 120.353 120.353 123.741 -3.388 18363
404 1 4 . 1 1 22 22 TRP HA H 22 5.003 5.003 5.028 -0.025 18363
405 1 4 . 1 1 22 22 TRP CA C 22 53.793 53.793 56.357 -2.564 18363
406 1 4 . 1 1 22 22 TRP CB C 22 26.551 26.551 31.760 -5.209 18363
407 1 4 . 1 1 22 22 TRP H H 22 8.292 8.292 8.108 0.184 18363
408 1 4 . 1 1 23 23 CYS N N 23 122.911 122.911 123.475 -0.564 18363
409 1 4 . 1 1 23 23 CYS HA H 23 4.989 4.989 4.609 0.380 18363
410 1 4 . 1 1 23 23 CYS CA C 23 49.940 49.940 58.367 -8.427 18363
411 1 4 . 1 1 23 23 CYS CB C 23 38.541 38.541 26.376 12.165 18363
412 1 4 . 1 1 23 23 CYS H H 23 8.671 8.671 8.634 0.037 18363
413 1 5 . 1 1 2 2 CYS N N 2 122.143 122.143 120.648 1.495 18363
414 1 5 . 1 1 2 2 CYS HA H 2 4.867 4.867 5.011 -0.144 18363
415 1 5 . 1 1 2 2 CYS H H 2 8.875 8.875 8.642 0.233 18363
416 1 5 . 1 1 3 3 HIS N N 3 121.482 121.482 117.889 3.593 18363
417 1 5 . 1 1 3 3 HIS HA H 3 4.738 4.738 5.197 -0.459 18363
418 1 5 . 1 1 3 3 HIS CA C 3 52.500 52.500 54.957 -2.457 18363
419 1 5 . 1 1 3 3 HIS CB C 3 26.230 26.230 29.741 -3.511 18363
420 1 5 . 1 1 3 3 HIS H H 3 9.010 9.010 8.256 0.754 18363
421 1 5 . 1 1 4 4 ILE N N 4 123.626 123.626 118.364 5.262 18363
422 1 5 . 1 1 4 4 ILE HA H 4 4.189 4.189 4.360 -0.171 18363
423 1 5 . 1 1 4 4 ILE CA C 4 58.576 58.576 61.230 -2.654 18363
424 1 5 . 1 1 4 4 ILE CB C 4 35.731 35.731 39.206 -3.474 18363
425 1 5 . 1 1 4 4 ILE H H 4 8.425 8.425 8.357 0.068 18363
426 1 5 . 1 1 5 5 ARG N N 5 126.410 126.410 118.620 7.790 18363
427 1 5 . 1 1 5 5 ARG HA H 5 4.414 4.414 4.430 -0.016 18363
428 1 5 . 1 1 5 5 ARG CA C 5 53.653 53.653 56.294 -2.641 18363
429 1 5 . 1 1 5 5 ARG CB C 5 29.043 29.043 30.823 -1.780 18363
430 1 5 . 1 1 5 5 ARG H H 5 8.711 8.711 8.410 0.301 18363
431 1 5 . 1 1 6 6 ARG N N 6 122.179 122.179 122.653 -0.474 18363
432 1 5 . 1 1 6 6 ARG HA H 6 4.367 4.367 4.231 0.136 18363
433 1 5 . 1 1 6 6 ARG CA C 6 52.886 52.886 55.976 -3.090 18363
434 1 5 . 1 1 6 6 ARG CB C 6 28.586 28.586 29.446 -0.860 18363
435 1 5 . 1 1 6 6 ARG H H 6 8.325 8.325 8.294 0.031 18363
436 1 5 . 1 1 7 7 LYS N N 7 123.819 123.819 125.696 -1.877 18363
437 1 5 . 1 1 7 7 LYS HA H 7 4.476 4.476 4.160 0.316 18363
438 1 5 . 1 1 7 7 LYS CA C 7 51.935 51.935 56.054 -4.119 18363
439 1 5 . 1 1 7 7 LYS CB C 7 29.578 29.578 31.867 -2.289 18363
440 1 5 . 1 1 7 7 LYS H H 7 8.447 8.447 7.822 0.625 18363
441 1 5 . 1 1 8 8 PRO HA H 8 4.393 4.393 4.358 0.035 18363
442 1 5 . 1 1 8 8 PRO CA C 8 60.435 60.435 63.228 -2.793 18363
443 1 5 . 1 1 8 8 PRO CB C 8 29.255 29.255 32.376 -3.121 18363
444 1 5 . 1 1 9 9 LYS N N 9 120.323 120.323 119.995 0.328 18363
445 1 5 . 1 1 9 9 LYS HA H 9 4.166 4.166 4.290 -0.124 18363
446 1 5 . 1 1 9 9 LYS CA C 9 54.057 54.057 55.503 -1.446 18363
447 1 5 . 1 1 9 9 LYS CB C 9 29.997 29.997 32.786 -2.789 18363
448 1 5 . 1 1 9 9 LYS H H 9 8.399 8.399 7.811 0.588 18363
449 1 5 . 1 1 10 10 PHE N N 10 121.894 121.894 118.277 3.617 18363
450 1 5 . 1 1 10 10 PHE HA H 10 4.688 4.688 4.307 0.381 18363
451 1 5 . 1 1 10 10 PHE CA C 10 55.395 55.395 59.933 -4.538 18363
452 1 5 . 1 1 10 10 PHE CB C 10 37.156 37.156 37.492 -0.336 18363
453 1 5 . 1 1 10 10 PHE H H 10 8.053 8.053 8.680 -0.627 18363
454 1 5 . 1 1 11 11 ARG N N 11 122.102 122.102 119.670 2.432 18363
455 1 5 . 1 1 11 11 ARG HA H 11 4.269 4.269 4.514 -0.245 18363
456 1 5 . 1 1 11 11 ARG CA C 11 53.554 53.554 55.239 -1.685 18363
457 1 5 . 1 1 11 11 ARG CB C 11 28.504 28.504 32.051 -3.547 18363
458 1 5 . 1 1 11 11 ARG H H 11 8.213 8.213 7.899 0.314 18363
459 1 5 . 1 1 12 12 LYS N N 12 121.158 121.158 122.538 -1.380 18363
460 1 5 . 1 1 12 12 LYS HA H 12 4.215 4.215 4.243 -0.028 18363
461 1 5 . 1 1 12 12 LYS CA C 12 53.741 53.741 57.761 -4.020 18363
462 1 5 . 1 1 12 12 LYS CB C 12 29.790 29.790 32.708 -2.918 18363
463 1 5 . 1 1 12 12 LYS H H 12 8.188 8.188 8.626 -0.438 18363
464 1 5 . 1 1 13 13 PHE N N 13 119.869 119.869 120.518 -0.649 18363
465 1 5 . 1 1 13 13 PHE HA H 13 4.668 4.668 4.496 0.172 18363
466 1 5 . 1 1 13 13 PHE CA C 13 54.624 54.624 59.107 -4.483 18363
467 1 5 . 1 1 13 13 PHE CB C 13 40.464 40.464 39.945 0.519 18363
468 1 5 . 1 1 13 13 PHE H H 13 8.042 8.042 8.082 -0.040 18363
469 1 5 . 1 1 14 14 LYS N N 14 122.425 122.425 124.403 -1.978 18363
470 1 5 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.245 -0.017 18363
471 1 5 . 1 1 14 14 LYS CA C 14 57.694 57.694 54.652 3.042 18363
472 1 5 . 1 1 14 14 LYS CB C 14 29.816 29.816 34.510 -4.694 18363
473 1 5 . 1 1 14 14 LYS H H 14 8.297 8.297 8.220 0.077 18363
474 1 5 . 1 1 15 15 LEU N N 15 118.890 118.890 117.544 1.346 18363
475 1 5 . 1 1 15 15 LEU HA H 15 4.406 4.406 3.083 1.323 18363
476 1 5 . 1 1 15 15 LEU CA C 15 52.480 52.480 54.936 -2.456 18363
477 1 5 . 1 1 15 15 LEU CB C 15 40.168 40.168 38.896 1.272 18363
478 1 5 . 1 1 15 15 LEU H H 15 8.064 8.064 6.748 1.316 18363
479 1 5 . 1 1 16 16 TYR N N 16 120.952 120.952 115.387 5.565 18363
480 1 5 . 1 1 16 16 TYR HA H 16 4.583 4.583 4.476 0.107 18363
481 1 5 . 1 1 16 16 TYR CA C 16 54.902 54.902 55.718 -0.816 18363
482 1 5 . 1 1 16 16 TYR CB C 16 39.033 39.033 38.405 0.628 18363
483 1 5 . 1 1 16 16 TYR H H 16 8.382 8.382 7.022 1.360 18363
484 1 5 . 1 1 17 17 HIS N N 17 120.795 120.795 120.557 0.238 18363
485 1 5 . 1 1 17 17 HIS HA H 17 4.526 4.526 4.471 0.055 18363
486 1 5 . 1 1 17 17 HIS CA C 17 51.935 51.935 57.362 -5.427 18363
487 1 5 . 1 1 17 17 HIS CB C 17 26.308 26.308 28.821 -2.513 18363
488 1 5 . 1 1 17 17 HIS H H 17 8.524 8.524 8.759 -0.235 18363
489 1 5 . 1 1 18 18 GLU N N 18 122.417 122.417 124.197 -1.780 18363
490 1 5 . 1 1 18 18 GLU HA H 18 4.340 4.340 4.678 -0.338 18363
491 1 5 . 1 1 18 18 GLU CA C 18 52.989 52.989 55.714 -2.725 18363
492 1 5 . 1 1 18 18 GLU CB C 18 26.490 26.490 32.447 -5.957 18363
493 1 5 . 1 1 18 18 GLU H H 18 8.489 8.489 8.400 0.089 18363
494 1 5 . 1 1 19 19 GLY N N 19 110.487 110.487 109.983 0.504 18363
495 1 5 . 1 1 19 19 GLY CA C 19 42.690 42.690 45.380 -2.690 18363
496 1 5 . 1 1 19 19 GLY H H 19 8.504 8.504 8.626 -0.122 18363
497 1 5 . 1 1 20 20 LYS N N 20 120.892 120.892 120.222 0.670 18363
498 1 5 . 1 1 20 20 LYS HA H 20 4.278 4.278 4.577 -0.299 18363
499 1 5 . 1 1 20 20 LYS CB C 20 29.824 29.824 32.523 -2.699 18363
500 1 5 . 1 1 20 20 LYS H H 20 8.348 8.348 8.498 -0.150 18363
501 1 5 . 1 1 21 21 PHE N N 21 119.510 119.510 122.516 -3.006 18363
502 1 5 . 1 1 21 21 PHE HA H 21 4.661 4.661 4.497 0.164 18363
503 1 5 . 1 1 21 21 PHE CA C 21 54.625 54.625 57.467 -2.842 18363
504 1 5 . 1 1 21 21 PHE CB C 21 39.439 39.439 40.071 -0.632 18363
505 1 5 . 1 1 21 21 PHE H H 21 8.196 8.196 8.347 -0.151 18363
506 1 5 . 1 1 22 22 TRP N N 22 120.353 120.353 123.551 -3.198 18363
507 1 5 . 1 1 22 22 TRP HA H 22 5.003 5.003 5.001 0.002 18363
508 1 5 . 1 1 22 22 TRP CA C 22 53.793 53.793 56.319 -2.526 18363
509 1 5 . 1 1 22 22 TRP CB C 22 26.551 26.551 31.709 -5.158 18363
510 1 5 . 1 1 22 22 TRP H H 22 8.292 8.292 8.109 0.183 18363
511 1 5 . 1 1 23 23 CYS N N 23 122.911 122.911 122.953 -0.042 18363
512 1 5 . 1 1 23 23 CYS HA H 23 4.989 4.989 4.494 0.495 18363
513 1 5 . 1 1 23 23 CYS CA C 23 49.940 49.940 58.092 -8.152 18363
514 1 5 . 1 1 23 23 CYS CB C 23 38.541 38.541 25.888 12.653 18363
515 1 5 . 1 1 23 23 CYS H H 23 8.671 8.671 8.565 0.106 18363
516 1 6 . 1 1 2 2 CYS N N 2 122.143 122.143 121.704 0.439 18363
517 1 6 . 1 1 2 2 CYS HA H 2 4.867 4.867 4.567 0.300 18363
518 1 6 . 1 1 2 2 CYS H H 2 8.875 8.875 8.934 -0.059 18363
519 1 6 . 1 1 3 3 HIS N N 3 121.482 121.482 117.831 3.651 18363
520 1 6 . 1 1 3 3 HIS HA H 3 4.738 4.738 4.967 -0.229 18363
521 1 6 . 1 1 3 3 HIS CA C 3 52.500 52.500 55.351 -2.851 18363
522 1 6 . 1 1 3 3 HIS CB C 3 26.230 26.230 30.902 -4.672 18363
523 1 6 . 1 1 3 3 HIS H H 3 9.010 9.010 7.534 1.476 18363
524 1 6 . 1 1 4 4 ILE N N 4 123.626 123.626 117.374 6.252 18363
525 1 6 . 1 1 4 4 ILE HA H 4 4.189 4.189 4.475 -0.286 18363
526 1 6 . 1 1 4 4 ILE CA C 4 58.576 58.576 59.886 -1.310 18363
527 1 6 . 1 1 4 4 ILE CB C 4 35.731 35.731 40.196 -4.465 18363
528 1 6 . 1 1 4 4 ILE H H 4 8.425 8.425 8.246 0.179 18363
529 1 6 . 1 1 5 5 ARG N N 5 126.410 126.410 119.996 6.414 18363
530 1 6 . 1 1 5 5 ARG HA H 5 4.414 4.414 4.480 -0.066 18363
531 1 6 . 1 1 5 5 ARG CA C 5 53.653 53.653 55.898 -2.245 18363
532 1 6 . 1 1 5 5 ARG CB C 5 29.043 29.043 30.861 -1.818 18363
533 1 6 . 1 1 5 5 ARG H H 5 8.711 8.711 8.347 0.364 18363
534 1 6 . 1 1 6 6 ARG N N 6 122.179 122.179 123.173 -0.994 18363
535 1 6 . 1 1 6 6 ARG HA H 6 4.367 4.367 4.149 0.218 18363
536 1 6 . 1 1 6 6 ARG CA C 6 52.886 52.886 56.446 -3.560 18363
537 1 6 . 1 1 6 6 ARG CB C 6 28.586 28.586 29.889 -1.303 18363
538 1 6 . 1 1 6 6 ARG H H 6 8.325 8.325 8.218 0.107 18363
539 1 6 . 1 1 7 7 LYS N N 7 123.819 123.819 127.108 -3.289 18363
540 1 6 . 1 1 7 7 LYS HA H 7 4.476 4.476 4.191 0.285 18363
541 1 6 . 1 1 7 7 LYS CA C 7 51.935 51.935 55.718 -3.783 18363
542 1 6 . 1 1 7 7 LYS CB C 7 29.578 29.578 31.977 -2.399 18363
543 1 6 . 1 1 7 7 LYS H H 7 8.447 8.447 8.154 0.293 18363
544 1 6 . 1 1 8 8 PRO HA H 8 4.393 4.393 4.334 0.059 18363
545 1 6 . 1 1 8 8 PRO CA C 8 60.435 60.435 63.144 -2.709 18363
546 1 6 . 1 1 8 8 PRO CB C 8 29.255 29.255 32.284 -3.029 18363
547 1 6 . 1 1 9 9 LYS N N 9 120.323 120.323 120.419 -0.096 18363
548 1 6 . 1 1 9 9 LYS HA H 9 4.166 4.166 4.186 -0.020 18363
549 1 6 . 1 1 9 9 LYS CA C 9 54.057 54.057 56.025 -1.968 18363
550 1 6 . 1 1 9 9 LYS CB C 9 29.997 29.997 34.019 -4.022 18363
551 1 6 . 1 1 9 9 LYS H H 9 8.399 8.399 8.023 0.376 18363
552 1 6 . 1 1 10 10 PHE N N 10 121.894 121.894 117.604 4.290 18363
553 1 6 . 1 1 10 10 PHE HA H 10 4.688 4.688 4.343 0.345 18363
554 1 6 . 1 1 10 10 PHE CA C 10 55.395 55.395 58.660 -3.265 18363
555 1 6 . 1 1 10 10 PHE CB C 10 37.156 37.156 38.157 -1.002 18363
556 1 6 . 1 1 10 10 PHE H H 10 8.053 8.053 7.803 0.250 18363
557 1 6 . 1 1 11 11 ARG N N 11 122.102 122.102 119.289 2.813 18363
558 1 6 . 1 1 11 11 ARG HA H 11 4.269 4.269 4.502 -0.233 18363
559 1 6 . 1 1 11 11 ARG CA C 11 53.554 53.554 55.279 -1.725 18363
560 1 6 . 1 1 11 11 ARG CB C 11 28.504 28.504 32.106 -3.602 18363
561 1 6 . 1 1 11 11 ARG H H 11 8.213 8.213 7.857 0.356 18363
562 1 6 . 1 1 12 12 LYS N N 12 121.158 121.158 122.001 -0.843 18363
563 1 6 . 1 1 12 12 LYS HA H 12 4.215 4.215 4.235 -0.020 18363
564 1 6 . 1 1 12 12 LYS CA C 12 53.741 53.741 57.550 -3.809 18363
565 1 6 . 1 1 12 12 LYS CB C 12 29.790 29.790 32.548 -2.758 18363
566 1 6 . 1 1 12 12 LYS H H 12 8.188 8.188 8.476 -0.288 18363
567 1 6 . 1 1 13 13 PHE N N 13 119.869 119.869 120.424 -0.555 18363
568 1 6 . 1 1 13 13 PHE HA H 13 4.668 4.668 4.537 0.131 18363
569 1 6 . 1 1 13 13 PHE CA C 13 54.624 54.624 58.388 -3.764 18363
570 1 6 . 1 1 13 13 PHE CB C 13 40.464 40.464 39.923 0.541 18363
571 1 6 . 1 1 13 13 PHE H H 13 8.042 8.042 7.863 0.179 18363
572 1 6 . 1 1 14 14 LYS N N 14 122.425 122.425 120.058 2.367 18363
573 1 6 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.301 -0.073 18363
574 1 6 . 1 1 14 14 LYS CA C 14 57.694 57.694 54.578 3.115 18363
575 1 6 . 1 1 14 14 LYS CB C 14 29.816 29.816 34.712 -4.896 18363
576 1 6 . 1 1 14 14 LYS H H 14 8.297 8.297 8.212 0.085 18363
577 1 6 . 1 1 15 15 LEU N N 15 118.890 118.890 116.207 2.683 18363
578 1 6 . 1 1 15 15 LEU HA H 15 4.406 4.406 2.821 1.585 18363
579 1 6 . 1 1 15 15 LEU CA C 15 52.480 52.480 54.850 -2.370 18363
580 1 6 . 1 1 15 15 LEU CB C 15 40.168 40.168 39.337 0.832 18363
581 1 6 . 1 1 15 15 LEU H H 15 8.064 8.064 6.424 1.640 18363
582 1 6 . 1 1 16 16 TYR N N 16 120.952 120.952 115.684 5.268 18363
583 1 6 . 1 1 16 16 TYR HA H 16 4.583 4.583 4.409 0.174 18363
584 1 6 . 1 1 16 16 TYR CA C 16 54.902 54.902 55.856 -0.954 18363
585 1 6 . 1 1 16 16 TYR CB C 16 39.033 39.033 38.111 0.923 18363
586 1 6 . 1 1 16 16 TYR H H 16 8.382 8.382 7.103 1.279 18363
587 1 6 . 1 1 17 17 HIS N N 17 120.795 120.795 121.388 -0.593 18363
588 1 6 . 1 1 17 17 HIS HA H 17 4.526 4.526 4.433 0.093 18363
589 1 6 . 1 1 17 17 HIS CA C 17 51.935 51.935 57.616 -5.681 18363
590 1 6 . 1 1 17 17 HIS CB C 17 26.308 26.308 28.631 -2.323 18363
591 1 6 . 1 1 17 17 HIS H H 17 8.524 8.524 8.801 -0.277 18363
592 1 6 . 1 1 18 18 GLU N N 18 122.417 122.417 124.706 -2.289 18363
593 1 6 . 1 1 18 18 GLU HA H 18 4.340 4.340 4.431 -0.091 18363
594 1 6 . 1 1 18 18 GLU CA C 18 52.989 52.989 55.652 -2.663 18363
595 1 6 . 1 1 18 18 GLU CB C 18 26.490 26.490 32.196 -5.706 18363
596 1 6 . 1 1 18 18 GLU H H 18 8.489 8.489 8.207 0.282 18363
597 1 6 . 1 1 19 19 GLY N N 19 110.487 110.487 109.298 1.189 18363
598 1 6 . 1 1 19 19 GLY CA C 19 42.690 42.690 45.509 -2.819 18363
599 1 6 . 1 1 19 19 GLY H H 19 8.504 8.504 8.516 -0.012 18363
600 1 6 . 1 1 20 20 LYS N N 20 120.892 120.892 119.976 0.916 18363
601 1 6 . 1 1 20 20 LYS HA H 20 4.278 4.278 4.498 -0.220 18363
602 1 6 . 1 1 20 20 LYS CB C 20 29.824 29.824 32.429 -2.605 18363
603 1 6 . 1 1 20 20 LYS H H 20 8.348 8.348 8.346 0.002 18363
604 1 6 . 1 1 21 21 PHE N N 21 119.510 119.510 123.628 -4.118 18363
605 1 6 . 1 1 21 21 PHE HA H 21 4.661 4.661 4.553 0.108 18363
606 1 6 . 1 1 21 21 PHE CA C 21 54.625 54.625 57.519 -2.894 18363
607 1 6 . 1 1 21 21 PHE CB C 21 39.439 39.439 39.977 -0.538 18363
608 1 6 . 1 1 21 21 PHE H H 21 8.196 8.196 8.320 -0.124 18363
609 1 6 . 1 1 22 22 TRP N N 22 120.353 120.353 123.580 -3.227 18363
610 1 6 . 1 1 22 22 TRP HA H 22 5.003 5.003 5.097 -0.094 18363
611 1 6 . 1 1 22 22 TRP CA C 22 53.793 53.793 56.528 -2.735 18363
612 1 6 . 1 1 22 22 TRP CB C 22 26.551 26.551 31.589 -5.038 18363
613 1 6 . 1 1 22 22 TRP H H 22 8.292 8.292 8.097 0.195 18363
614 1 6 . 1 1 23 23 CYS N N 23 122.911 122.911 122.687 0.224 18363
615 1 6 . 1 1 23 23 CYS HA H 23 4.989 4.989 4.523 0.466 18363
616 1 6 . 1 1 23 23 CYS CA C 23 49.940 49.940 58.344 -8.404 18363
617 1 6 . 1 1 23 23 CYS CB C 23 38.541 38.541 27.549 10.992 18363
618 1 6 . 1 1 23 23 CYS H H 23 8.671 8.671 8.480 0.191 18363
619 1 7 . 1 1 2 2 CYS N N 2 122.143 122.143 121.536 0.607 18363
620 1 7 . 1 1 2 2 CYS HA H 2 4.867 4.867 4.885 -0.018 18363
621 1 7 . 1 1 2 2 CYS H H 2 8.875 8.875 8.152 0.724 18363
622 1 7 . 1 1 3 3 HIS N N 3 121.482 121.482 121.434 0.048 18363
623 1 7 . 1 1 3 3 HIS HA H 3 4.738 4.738 5.028 -0.290 18363
624 1 7 . 1 1 3 3 HIS CA C 3 52.500 52.500 55.575 -3.075 18363
625 1 7 . 1 1 3 3 HIS CB C 3 26.230 26.230 30.127 -3.897 18363
626 1 7 . 1 1 3 3 HIS H H 3 9.010 9.010 8.549 0.461 18363
627 1 7 . 1 1 4 4 ILE N N 4 123.626 123.626 123.353 0.273 18363
628 1 7 . 1 1 4 4 ILE HA H 4 4.189 4.189 4.266 -0.077 18363
629 1 7 . 1 1 4 4 ILE CA C 4 58.576 58.576 60.685 -2.109 18363
630 1 7 . 1 1 4 4 ILE CB C 4 35.731 35.731 39.299 -3.568 18363
631 1 7 . 1 1 4 4 ILE H H 4 8.425 8.425 8.293 0.132 18363
632 1 7 . 1 1 5 5 ARG N N 5 126.410 126.410 119.304 7.106 18363
633 1 7 . 1 1 5 5 ARG HA H 5 4.414 4.414 4.369 0.045 18363
634 1 7 . 1 1 5 5 ARG CA C 5 53.653 53.653 55.885 -2.232 18363
635 1 7 . 1 1 5 5 ARG CB C 5 29.043 29.043 31.044 -2.001 18363
636 1 7 . 1 1 5 5 ARG H H 5 8.711 8.711 8.189 0.522 18363
637 1 7 . 1 1 6 6 ARG N N 6 122.179 122.179 123.579 -1.400 18363
638 1 7 . 1 1 6 6 ARG HA H 6 4.367 4.367 4.160 0.207 18363
639 1 7 . 1 1 6 6 ARG CA C 6 52.886 52.886 56.496 -3.610 18363
640 1 7 . 1 1 6 6 ARG CB C 6 28.586 28.586 29.973 -1.387 18363
641 1 7 . 1 1 6 6 ARG H H 6 8.325 8.325 8.256 0.069 18363
642 1 7 . 1 1 7 7 LYS N N 7 123.819 123.819 126.767 -2.948 18363
643 1 7 . 1 1 7 7 LYS HA H 7 4.476 4.476 4.253 0.223 18363
644 1 7 . 1 1 7 7 LYS CA C 7 51.935 51.935 55.154 -3.219 18363
645 1 7 . 1 1 7 7 LYS CB C 7 29.578 29.578 31.590 -2.012 18363
646 1 7 . 1 1 7 7 LYS H H 7 8.447 8.447 8.024 0.423 18363
647 1 7 . 1 1 8 8 PRO HA H 8 4.393 4.393 4.369 0.024 18363
648 1 7 . 1 1 8 8 PRO CA C 8 60.435 60.435 63.356 -2.921 18363
649 1 7 . 1 1 8 8 PRO CB C 8 29.255 29.255 32.239 -2.984 18363
650 1 7 . 1 1 9 9 LYS N N 9 120.323 120.323 121.678 -1.355 18363
651 1 7 . 1 1 9 9 LYS HA H 9 4.166 4.166 4.270 -0.104 18363
652 1 7 . 1 1 9 9 LYS CA C 9 54.057 54.057 55.667 -1.610 18363
653 1 7 . 1 1 9 9 LYS CB C 9 29.997 29.997 33.423 -3.426 18363
654 1 7 . 1 1 9 9 LYS H H 9 8.399 8.399 7.727 0.672 18363
655 1 7 . 1 1 10 10 PHE N N 10 121.894 121.894 117.609 4.285 18363
656 1 7 . 1 1 10 10 PHE HA H 10 4.688 4.688 4.264 0.424 18363
657 1 7 . 1 1 10 10 PHE CA C 10 55.395 55.395 59.463 -4.068 18363
658 1 7 . 1 1 10 10 PHE CB C 10 37.156 37.156 37.679 -0.523 18363
659 1 7 . 1 1 10 10 PHE H H 10 8.053 8.053 8.272 -0.219 18363
660 1 7 . 1 1 11 11 ARG N N 11 122.102 122.102 119.199 2.903 18363
661 1 7 . 1 1 11 11 ARG HA H 11 4.269 4.269 4.497 -0.228 18363
662 1 7 . 1 1 11 11 ARG CA C 11 53.554 53.554 55.221 -1.667 18363
663 1 7 . 1 1 11 11 ARG CB C 11 28.504 28.504 31.957 -3.453 18363
664 1 7 . 1 1 11 11 ARG H H 11 8.213 8.213 7.887 0.326 18363
665 1 7 . 1 1 12 12 LYS N N 12 121.158 121.158 122.225 -1.067 18363
666 1 7 . 1 1 12 12 LYS HA H 12 4.215 4.215 4.057 0.158 18363
667 1 7 . 1 1 12 12 LYS CA C 12 53.741 53.741 57.634 -3.893 18363
668 1 7 . 1 1 12 12 LYS CB C 12 29.790 29.790 32.325 -2.535 18363
669 1 7 . 1 1 12 12 LYS H H 12 8.188 8.188 8.401 -0.213 18363
670 1 7 . 1 1 13 13 PHE N N 13 119.869 119.869 120.248 -0.379 18363
671 1 7 . 1 1 13 13 PHE HA H 13 4.668 4.668 4.550 0.118 18363
672 1 7 . 1 1 13 13 PHE CA C 13 54.624 54.624 57.831 -3.207 18363
673 1 7 . 1 1 13 13 PHE CB C 13 40.464 40.464 39.249 1.215 18363
674 1 7 . 1 1 13 13 PHE H H 13 8.042 8.042 7.912 0.130 18363
675 1 7 . 1 1 14 14 LYS N N 14 122.425 122.425 123.877 -1.452 18363
676 1 7 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.290 -0.062 18363
677 1 7 . 1 1 14 14 LYS CA C 14 57.694 57.694 55.002 2.692 18363
678 1 7 . 1 1 14 14 LYS CB C 14 29.816 29.816 34.970 -5.154 18363
679 1 7 . 1 1 14 14 LYS H H 14 8.297 8.297 8.388 -0.091 18363
680 1 7 . 1 1 15 15 LEU N N 15 118.890 118.890 116.417 2.473 18363
681 1 7 . 1 1 15 15 LEU HA H 15 4.406 4.406 3.025 1.381 18363
682 1 7 . 1 1 15 15 LEU CA C 15 52.480 52.480 54.636 -2.156 18363
683 1 7 . 1 1 15 15 LEU CB C 15 40.168 40.168 39.248 0.920 18363
684 1 7 . 1 1 15 15 LEU H H 15 8.064 8.064 6.822 1.242 18363
685 1 7 . 1 1 16 16 TYR N N 16 120.952 120.952 115.786 5.166 18363
686 1 7 . 1 1 16 16 TYR HA H 16 4.583 4.583 4.384 0.199 18363
687 1 7 . 1 1 16 16 TYR CA C 16 54.902 54.902 56.289 -1.387 18363
688 1 7 . 1 1 16 16 TYR CB C 16 39.033 39.033 38.320 0.713 18363
689 1 7 . 1 1 16 16 TYR H H 16 8.382 8.382 7.059 1.323 18363
690 1 7 . 1 1 17 17 HIS N N 17 120.795 120.795 121.353 -0.558 18363
691 1 7 . 1 1 17 17 HIS HA H 17 4.526 4.526 4.447 0.079 18363
692 1 7 . 1 1 17 17 HIS CA C 17 51.935 51.935 57.608 -5.673 18363
693 1 7 . 1 1 17 17 HIS CB C 17 26.308 26.308 28.671 -2.363 18363
694 1 7 . 1 1 17 17 HIS H H 17 8.524 8.524 8.831 -0.307 18363
695 1 7 . 1 1 18 18 GLU N N 18 122.417 122.417 125.044 -2.627 18363
696 1 7 . 1 1 18 18 GLU HA H 18 4.340 4.340 4.522 -0.182 18363
697 1 7 . 1 1 18 18 GLU CA C 18 52.989 52.989 55.551 -2.562 18363
698 1 7 . 1 1 18 18 GLU CB C 18 26.490 26.490 32.720 -6.230 18363
699 1 7 . 1 1 18 18 GLU H H 18 8.489 8.489 8.369 0.120 18363
700 1 7 . 1 1 19 19 GLY N N 19 110.487 110.487 109.722 0.765 18363
701 1 7 . 1 1 19 19 GLY CA C 19 42.690 42.690 45.805 -3.115 18363
702 1 7 . 1 1 19 19 GLY H H 19 8.504 8.504 8.438 0.066 18363
703 1 7 . 1 1 20 20 LYS N N 20 120.892 120.892 120.467 0.425 18363
704 1 7 . 1 1 20 20 LYS HA H 20 4.278 4.278 4.605 -0.327 18363
705 1 7 . 1 1 20 20 LYS CB C 20 29.824 29.824 33.321 -3.497 18363
706 1 7 . 1 1 20 20 LYS H H 20 8.348 8.348 8.181 0.167 18363
707 1 7 . 1 1 21 21 PHE N N 21 119.510 119.510 123.193 -3.683 18363
708 1 7 . 1 1 21 21 PHE HA H 21 4.661 4.661 4.524 0.137 18363
709 1 7 . 1 1 21 21 PHE CA C 21 54.625 54.625 58.199 -3.574 18363
710 1 7 . 1 1 21 21 PHE CB C 21 39.439 39.439 40.110 -0.671 18363
711 1 7 . 1 1 21 21 PHE H H 21 8.196 8.196 8.438 -0.242 18363
712 1 7 . 1 1 22 22 TRP N N 22 120.353 120.353 124.614 -4.261 18363
713 1 7 . 1 1 22 22 TRP HA H 22 5.003 5.003 5.149 -0.146 18363
714 1 7 . 1 1 22 22 TRP CA C 22 53.793 53.793 56.189 -2.396 18363
715 1 7 . 1 1 22 22 TRP CB C 22 26.551 26.551 31.600 -5.049 18363
716 1 7 . 1 1 22 22 TRP H H 22 8.292 8.292 8.023 0.269 18363
717 1 7 . 1 1 23 23 CYS N N 23 122.911 122.911 123.453 -0.542 18363
718 1 7 . 1 1 23 23 CYS HA H 23 4.989 4.989 4.519 0.470 18363
719 1 7 . 1 1 23 23 CYS CA C 23 49.940 49.940 58.643 -8.703 18363
720 1 7 . 1 1 23 23 CYS CB C 23 38.541 38.541 27.503 11.038 18363
721 1 7 . 1 1 23 23 CYS H H 23 8.671 8.671 8.632 0.039 18363
722 1 8 . 1 1 2 2 CYS N N 2 122.143 122.143 123.904 -1.761 18363
723 1 8 . 1 1 2 2 CYS HA H 2 4.867 4.867 4.680 0.187 18363
724 1 8 . 1 1 2 2 CYS H H 2 8.875 8.875 8.067 0.808 18363
725 1 8 . 1 1 3 3 HIS N N 3 121.482 121.482 121.902 -0.420 18363
726 1 8 . 1 1 3 3 HIS HA H 3 4.738 4.738 5.115 -0.377 18363
727 1 8 . 1 1 3 3 HIS CA C 3 52.500 52.500 54.735 -2.235 18363
728 1 8 . 1 1 3 3 HIS CB C 3 26.230 26.230 30.286 -4.056 18363
729 1 8 . 1 1 3 3 HIS H H 3 9.010 9.010 7.879 1.131 18363
730 1 8 . 1 1 4 4 ILE N N 4 123.626 123.626 122.619 1.007 18363
731 1 8 . 1 1 4 4 ILE HA H 4 4.189 4.189 4.125 0.064 18363
732 1 8 . 1 1 4 4 ILE CA C 4 58.576 58.576 61.664 -3.088 18363
733 1 8 . 1 1 4 4 ILE CB C 4 35.731 35.731 39.131 -3.400 18363
734 1 8 . 1 1 4 4 ILE H H 4 8.425 8.425 8.531 -0.106 18363
735 1 8 . 1 1 5 5 ARG N N 5 126.410 126.410 118.960 7.450 18363
736 1 8 . 1 1 5 5 ARG HA H 5 4.414 4.414 4.443 -0.029 18363
737 1 8 . 1 1 5 5 ARG CA C 5 53.653 53.653 55.905 -2.252 18363
738 1 8 . 1 1 5 5 ARG CB C 5 29.043 29.043 30.863 -1.820 18363
739 1 8 . 1 1 5 5 ARG H H 5 8.711 8.711 8.284 0.427 18363
740 1 8 . 1 1 6 6 ARG N N 6 122.179 122.179 122.557 -0.378 18363
741 1 8 . 1 1 6 6 ARG HA H 6 4.367 4.367 4.156 0.211 18363
742 1 8 . 1 1 6 6 ARG CA C 6 52.886 52.886 56.434 -3.548 18363
743 1 8 . 1 1 6 6 ARG CB C 6 28.586 28.586 29.441 -0.855 18363
744 1 8 . 1 1 6 6 ARG H H 6 8.325 8.325 8.301 0.024 18363
745 1 8 . 1 1 7 7 LYS N N 7 123.819 123.819 125.672 -1.853 18363
746 1 8 . 1 1 7 7 LYS HA H 7 4.476 4.476 4.233 0.243 18363
747 1 8 . 1 1 7 7 LYS CA C 7 51.935 51.935 55.668 -3.733 18363
748 1 8 . 1 1 7 7 LYS CB C 7 29.578 29.578 32.039 -2.461 18363
749 1 8 . 1 1 7 7 LYS H H 7 8.447 8.447 8.172 0.275 18363
750 1 8 . 1 1 8 8 PRO HA H 8 4.393 4.393 4.424 -0.031 18363
751 1 8 . 1 1 8 8 PRO CA C 8 60.435 60.435 63.171 -2.736 18363
752 1 8 . 1 1 8 8 PRO CB C 8 29.255 29.255 32.447 -3.192 18363
753 1 8 . 1 1 9 9 LYS N N 9 120.323 120.323 120.451 -0.128 18363
754 1 8 . 1 1 9 9 LYS HA H 9 4.166 4.166 4.437 -0.271 18363
755 1 8 . 1 1 9 9 LYS CA C 9 54.057 54.057 56.377 -2.321 18363
756 1 8 . 1 1 9 9 LYS CB C 9 29.997 29.997 34.132 -4.135 18363
757 1 8 . 1 1 9 9 LYS H H 9 8.399 8.399 8.031 0.368 18363
758 1 8 . 1 1 10 10 PHE N N 10 121.894 121.894 119.753 2.141 18363
759 1 8 . 1 1 10 10 PHE HA H 10 4.688 4.688 4.290 0.398 18363
760 1 8 . 1 1 10 10 PHE CA C 10 55.395 55.395 60.345 -4.950 18363
761 1 8 . 1 1 10 10 PHE CB C 10 37.156 37.156 38.832 -1.676 18363
762 1 8 . 1 1 10 10 PHE H H 10 8.053 8.053 8.728 -0.675 18363
763 1 8 . 1 1 11 11 ARG N N 11 122.102 122.102 122.958 -0.856 18363
764 1 8 . 1 1 11 11 ARG HA H 11 4.269 4.269 4.353 -0.084 18363
765 1 8 . 1 1 11 11 ARG CA C 11 53.554 53.554 55.058 -1.504 18363
766 1 8 . 1 1 11 11 ARG CB C 11 28.504 28.504 31.888 -3.384 18363
767 1 8 . 1 1 11 11 ARG H H 11 8.213 8.213 7.812 0.401 18363
768 1 8 . 1 1 12 12 LYS N N 12 121.158 121.158 122.157 -0.999 18363
769 1 8 . 1 1 12 12 LYS HA H 12 4.215 4.215 4.206 0.009 18363
770 1 8 . 1 1 12 12 LYS CA C 12 53.741 53.741 57.317 -3.576 18363
771 1 8 . 1 1 12 12 LYS CB C 12 29.790 29.790 32.523 -2.733 18363
772 1 8 . 1 1 12 12 LYS H H 12 8.188 8.188 8.529 -0.341 18363
773 1 8 . 1 1 13 13 PHE N N 13 119.869 119.869 120.329 -0.460 18363
774 1 8 . 1 1 13 13 PHE HA H 13 4.668 4.668 4.547 0.121 18363
775 1 8 . 1 1 13 13 PHE CA C 13 54.624 54.624 58.905 -4.281 18363
776 1 8 . 1 1 13 13 PHE CB C 13 40.464 40.464 39.898 0.566 18363
777 1 8 . 1 1 13 13 PHE H H 13 8.042 8.042 7.991 0.051 18363
778 1 8 . 1 1 14 14 LYS N N 14 122.425 122.425 122.363 0.062 18363
779 1 8 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.343 -0.115 18363
780 1 8 . 1 1 14 14 LYS CA C 14 57.694 57.694 54.793 2.901 18363
781 1 8 . 1 1 14 14 LYS CB C 14 29.816 29.816 34.940 -5.124 18363
782 1 8 . 1 1 14 14 LYS H H 14 8.297 8.297 8.468 -0.171 18363
783 1 8 . 1 1 15 15 LEU N N 15 118.890 118.890 117.957 0.933 18363
784 1 8 . 1 1 15 15 LEU HA H 15 4.406 4.406 2.901 1.505 18363
785 1 8 . 1 1 15 15 LEU CA C 15 52.480 52.480 54.664 -2.184 18363
786 1 8 . 1 1 15 15 LEU CB C 15 40.168 40.168 39.131 1.037 18363
787 1 8 . 1 1 15 15 LEU H H 15 8.064 8.064 6.525 1.539 18363
788 1 8 . 1 1 16 16 TYR N N 16 120.952 120.952 115.349 5.603 18363
789 1 8 . 1 1 16 16 TYR HA H 16 4.583 4.583 4.420 0.163 18363
790 1 8 . 1 1 16 16 TYR CA C 16 54.902 54.902 55.958 -1.056 18363
791 1 8 . 1 1 16 16 TYR CB C 16 39.033 39.033 38.396 0.637 18363
792 1 8 . 1 1 16 16 TYR H H 16 8.382 8.382 6.962 1.420 18363
793 1 8 . 1 1 17 17 HIS N N 17 120.795 120.795 120.128 0.667 18363
794 1 8 . 1 1 17 17 HIS HA H 17 4.526 4.526 4.455 0.071 18363
795 1 8 . 1 1 17 17 HIS CA C 17 51.935 51.935 57.644 -5.709 18363
796 1 8 . 1 1 17 17 HIS CB C 17 26.308 26.308 28.675 -2.367 18363
797 1 8 . 1 1 17 17 HIS H H 17 8.524 8.524 8.861 -0.337 18363
798 1 8 . 1 1 18 18 GLU N N 18 122.417 122.417 123.546 -1.129 18363
799 1 8 . 1 1 18 18 GLU HA H 18 4.340 4.340 4.681 -0.341 18363
800 1 8 . 1 1 18 18 GLU CA C 18 52.989 52.989 55.390 -2.401 18363
801 1 8 . 1 1 18 18 GLU CB C 18 26.490 26.490 31.928 -5.438 18363
802 1 8 . 1 1 18 18 GLU H H 18 8.489 8.489 8.184 0.305 18363
803 1 8 . 1 1 19 19 GLY N N 19 110.487 110.487 109.323 1.164 18363
804 1 8 . 1 1 19 19 GLY CA C 19 42.690 42.690 45.701 -3.011 18363
805 1 8 . 1 1 19 19 GLY H H 19 8.504 8.504 8.386 0.118 18363
806 1 8 . 1 1 20 20 LYS N N 20 120.892 120.892 119.812 1.080 18363
807 1 8 . 1 1 20 20 LYS HA H 20 4.278 4.278 4.629 -0.351 18363
808 1 8 . 1 1 20 20 LYS CB C 20 29.824 29.824 32.415 -2.591 18363
809 1 8 . 1 1 20 20 LYS H H 20 8.348 8.348 8.300 0.048 18363
810 1 8 . 1 1 21 21 PHE N N 21 119.510 119.510 123.713 -4.203 18363
811 1 8 . 1 1 21 21 PHE HA H 21 4.661 4.661 4.543 0.118 18363
812 1 8 . 1 1 21 21 PHE CA C 21 54.625 54.625 57.809 -3.184 18363
813 1 8 . 1 1 21 21 PHE CB C 21 39.439 39.439 39.966 -0.527 18363
814 1 8 . 1 1 21 21 PHE H H 21 8.196 8.196 8.406 -0.210 18363
815 1 8 . 1 1 22 22 TRP N N 22 120.353 120.353 124.084 -3.731 18363
816 1 8 . 1 1 22 22 TRP HA H 22 5.003 5.003 5.113 -0.110 18363
817 1 8 . 1 1 22 22 TRP CA C 22 53.793 53.793 56.016 -2.223 18363
818 1 8 . 1 1 22 22 TRP CB C 22 26.551 26.551 31.442 -4.891 18363
819 1 8 . 1 1 22 22 TRP H H 22 8.292 8.292 7.942 0.350 18363
820 1 8 . 1 1 23 23 CYS N N 23 122.911 122.911 123.267 -0.356 18363
821 1 8 . 1 1 23 23 CYS HA H 23 4.989 4.989 4.506 0.483 18363
822 1 8 . 1 1 23 23 CYS CA C 23 49.940 49.940 58.720 -8.780 18363
823 1 8 . 1 1 23 23 CYS CB C 23 38.541 38.541 27.534 11.007 18363
824 1 8 . 1 1 23 23 CYS H H 23 8.671 8.671 8.536 0.135 18363
825 1 9 . 1 1 2 2 CYS N N 2 122.143 122.143 125.039 -2.896 18363
826 1 9 . 1 1 2 2 CYS HA H 2 4.867 4.867 4.782 0.085 18363
827 1 9 . 1 1 2 2 CYS H H 2 8.875 8.875 8.410 0.465 18363
828 1 9 . 1 1 3 3 HIS N N 3 121.482 121.482 120.901 0.581 18363
829 1 9 . 1 1 3 3 HIS HA H 3 4.738 4.738 5.233 -0.495 18363
830 1 9 . 1 1 3 3 HIS CA C 3 52.500 52.500 55.290 -2.790 18363
831 1 9 . 1 1 3 3 HIS CB C 3 26.230 26.230 30.669 -4.439 18363
832 1 9 . 1 1 3 3 HIS H H 3 9.010 9.010 8.228 0.782 18363
833 1 9 . 1 1 4 4 ILE N N 4 123.626 123.626 120.570 3.056 18363
834 1 9 . 1 1 4 4 ILE HA H 4 4.189 4.189 4.500 -0.311 18363
835 1 9 . 1 1 4 4 ILE CA C 4 58.576 58.576 59.548 -0.972 18363
836 1 9 . 1 1 4 4 ILE CB C 4 35.731 35.731 40.719 -4.988 18363
837 1 9 . 1 1 4 4 ILE H H 4 8.425 8.425 8.256 0.169 18363
838 1 9 . 1 1 5 5 ARG N N 5 126.410 126.410 119.798 6.612 18363
839 1 9 . 1 1 5 5 ARG HA H 5 4.414 4.414 4.446 -0.032 18363
840 1 9 . 1 1 5 5 ARG CA C 5 53.653 53.653 55.743 -2.090 18363
841 1 9 . 1 1 5 5 ARG CB C 5 29.043 29.043 30.720 -1.677 18363
842 1 9 . 1 1 5 5 ARG H H 5 8.711 8.711 8.445 0.266 18363
843 1 9 . 1 1 6 6 ARG N N 6 122.179 122.179 123.466 -1.287 18363
844 1 9 . 1 1 6 6 ARG HA H 6 4.367 4.367 4.160 0.207 18363
845 1 9 . 1 1 6 6 ARG CA C 6 52.886 52.886 56.436 -3.550 18363
846 1 9 . 1 1 6 6 ARG CB C 6 28.586 28.586 29.213 -0.627 18363
847 1 9 . 1 1 6 6 ARG H H 6 8.325 8.325 8.117 0.208 18363
848 1 9 . 1 1 7 7 LYS N N 7 123.819 123.819 124.898 -1.079 18363
849 1 9 . 1 1 7 7 LYS HA H 7 4.476 4.476 4.238 0.238 18363
850 1 9 . 1 1 7 7 LYS CA C 7 51.935 51.935 54.741 -2.806 18363
851 1 9 . 1 1 7 7 LYS CB C 7 29.578 29.578 31.764 -2.186 18363
852 1 9 . 1 1 7 7 LYS H H 7 8.447 8.447 8.115 0.332 18363
853 1 9 . 1 1 8 8 PRO HA H 8 4.393 4.393 4.289 0.104 18363
854 1 9 . 1 1 8 8 PRO CA C 8 60.435 60.435 63.188 -2.753 18363
855 1 9 . 1 1 8 8 PRO CB C 8 29.255 29.255 32.148 -2.893 18363
856 1 9 . 1 1 9 9 LYS N N 9 120.323 120.323 121.787 -1.464 18363
857 1 9 . 1 1 9 9 LYS HA H 9 4.166 4.166 4.337 -0.171 18363
858 1 9 . 1 1 9 9 LYS CA C 9 54.057 54.057 55.418 -1.361 18363
859 1 9 . 1 1 9 9 LYS CB C 9 29.997 29.997 33.957 -3.960 18363
860 1 9 . 1 1 9 9 LYS H H 9 8.399 8.399 8.050 0.349 18363
861 1 9 . 1 1 10 10 PHE N N 10 121.894 121.894 117.556 4.338 18363
862 1 9 . 1 1 10 10 PHE HA H 10 4.688 4.688 4.272 0.416 18363
863 1 9 . 1 1 10 10 PHE CA C 10 55.395 55.395 59.205 -3.810 18363
864 1 9 . 1 1 10 10 PHE CB C 10 37.156 37.156 37.590 -0.434 18363
865 1 9 . 1 1 10 10 PHE H H 10 8.053 8.053 8.322 -0.269 18363
866 1 9 . 1 1 11 11 ARG N N 11 122.102 122.102 119.191 2.911 18363
867 1 9 . 1 1 11 11 ARG HA H 11 4.269 4.269 4.543 -0.274 18363
868 1 9 . 1 1 11 11 ARG CA C 11 53.554 53.554 55.136 -1.582 18363
869 1 9 . 1 1 11 11 ARG CB C 11 28.504 28.504 31.737 -3.233 18363
870 1 9 . 1 1 11 11 ARG H H 11 8.213 8.213 7.948 0.265 18363
871 1 9 . 1 1 12 12 LYS N N 12 121.158 121.158 120.261 0.897 18363
872 1 9 . 1 1 12 12 LYS HA H 12 4.215 4.215 4.499 -0.284 18363
873 1 9 . 1 1 12 12 LYS CA C 12 53.741 53.741 56.431 -2.690 18363
874 1 9 . 1 1 12 12 LYS CB C 12 29.790 29.790 32.736 -2.946 18363
875 1 9 . 1 1 12 12 LYS H H 12 8.188 8.188 8.454 -0.266 18363
876 1 9 . 1 1 13 13 PHE N N 13 119.869 119.869 121.019 -1.150 18363
877 1 9 . 1 1 13 13 PHE HA H 13 4.668 4.668 4.519 0.149 18363
878 1 9 . 1 1 13 13 PHE CA C 13 54.624 54.624 58.618 -3.994 18363
879 1 9 . 1 1 13 13 PHE CB C 13 40.464 40.464 39.845 0.619 18363
880 1 9 . 1 1 13 13 PHE H H 13 8.042 8.042 7.985 0.057 18363
881 1 9 . 1 1 14 14 LYS N N 14 122.425 122.425 120.680 1.745 18363
882 1 9 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.337 -0.109 18363
883 1 9 . 1 1 14 14 LYS CA C 14 57.694 57.694 54.902 2.792 18363
884 1 9 . 1 1 14 14 LYS CB C 14 29.816 29.816 34.966 -5.150 18363
885 1 9 . 1 1 14 14 LYS H H 14 8.297 8.297 8.523 -0.226 18363
886 1 9 . 1 1 15 15 LEU N N 15 118.890 118.890 118.686 0.204 18363
887 1 9 . 1 1 15 15 LEU HA H 15 4.406 4.406 2.875 1.531 18363
888 1 9 . 1 1 15 15 LEU CA C 15 52.480 52.480 54.598 -2.118 18363
889 1 9 . 1 1 15 15 LEU CB C 15 40.168 40.168 39.088 1.080 18363
890 1 9 . 1 1 15 15 LEU H H 15 8.064 8.064 6.602 1.462 18363
891 1 9 . 1 1 16 16 TYR N N 16 120.952 120.952 115.285 5.667 18363
892 1 9 . 1 1 16 16 TYR HA H 16 4.583 4.583 4.321 0.262 18363
893 1 9 . 1 1 16 16 TYR CA C 16 54.902 54.902 55.716 -0.814 18363
894 1 9 . 1 1 16 16 TYR CB C 16 39.033 39.033 38.510 0.523 18363
895 1 9 . 1 1 16 16 TYR H H 16 8.382 8.382 7.075 1.307 18363
896 1 9 . 1 1 17 17 HIS N N 17 120.795 120.795 120.506 0.289 18363
897 1 9 . 1 1 17 17 HIS HA H 17 4.526 4.526 4.445 0.081 18363
898 1 9 . 1 1 17 17 HIS CA C 17 51.935 51.935 57.622 -5.687 18363
899 1 9 . 1 1 17 17 HIS CB C 17 26.308 26.308 28.828 -2.520 18363
900 1 9 . 1 1 17 17 HIS H H 17 8.524 8.524 8.758 -0.234 18363
901 1 9 . 1 1 18 18 GLU N N 18 122.417 122.417 124.488 -2.071 18363
902 1 9 . 1 1 18 18 GLU HA H 18 4.340 4.340 4.510 -0.170 18363
903 1 9 . 1 1 18 18 GLU CA C 18 52.989 52.989 55.260 -2.271 18363
904 1 9 . 1 1 18 18 GLU CB C 18 26.490 26.490 31.960 -5.470 18363
905 1 9 . 1 1 18 18 GLU H H 18 8.489 8.489 8.067 0.422 18363
906 1 9 . 1 1 19 19 GLY N N 19 110.487 110.487 109.445 1.042 18363
907 1 9 . 1 1 19 19 GLY CA C 19 42.690 42.690 45.644 -2.954 18363
908 1 9 . 1 1 19 19 GLY H H 19 8.504 8.504 8.339 0.165 18363
909 1 9 . 1 1 20 20 LYS N N 20 120.892 120.892 120.049 0.843 18363
910 1 9 . 1 1 20 20 LYS HA H 20 4.278 4.278 4.603 -0.325 18363
911 1 9 . 1 1 20 20 LYS CB C 20 29.824 29.824 33.080 -3.256 18363
912 1 9 . 1 1 20 20 LYS H H 20 8.348 8.348 8.300 0.048 18363
913 1 9 . 1 1 21 21 PHE N N 21 119.510 119.510 122.231 -2.721 18363
914 1 9 . 1 1 21 21 PHE HA H 21 4.661 4.661 4.657 0.004 18363
915 1 9 . 1 1 21 21 PHE CA C 21 54.625 54.625 57.711 -3.086 18363
916 1 9 . 1 1 21 21 PHE CB C 21 39.439 39.439 39.715 -0.276 18363
917 1 9 . 1 1 21 21 PHE H H 21 8.196 8.196 8.363 -0.167 18363
918 1 9 . 1 1 22 22 TRP N N 22 120.353 120.353 122.593 -2.240 18363
919 1 9 . 1 1 22 22 TRP HA H 22 5.003 5.003 5.005 -0.002 18363
920 1 9 . 1 1 22 22 TRP CA C 22 53.793 53.793 56.317 -2.524 18363
921 1 9 . 1 1 22 22 TRP CB C 22 26.551 26.551 31.729 -5.178 18363
922 1 9 . 1 1 22 22 TRP H H 22 8.292 8.292 8.176 0.116 18363
923 1 9 . 1 1 23 23 CYS N N 23 122.911 122.911 123.375 -0.464 18363
924 1 9 . 1 1 23 23 CYS HA H 23 4.989 4.989 4.590 0.399 18363
925 1 9 . 1 1 23 23 CYS CA C 23 49.940 49.940 58.550 -8.610 18363
926 1 9 . 1 1 23 23 CYS CB C 23 38.541 38.541 26.575 11.966 18363
927 1 9 . 1 1 23 23 CYS H H 23 8.671 8.671 8.626 0.045 18363
928 1 10 . 1 1 2 2 CYS N N 2 122.143 122.143 120.402 1.741 18363
929 1 10 . 1 1 2 2 CYS HA H 2 4.867 4.867 4.776 0.091 18363
930 1 10 . 1 1 2 2 CYS H H 2 8.875 8.875 9.099 -0.224 18363
931 1 10 . 1 1 3 3 HIS N N 3 121.482 121.482 119.035 2.447 18363
932 1 10 . 1 1 3 3 HIS HA H 3 4.738 4.738 5.403 -0.665 18363
933 1 10 . 1 1 3 3 HIS CA C 3 52.500 52.500 55.290 -2.790 18363
934 1 10 . 1 1 3 3 HIS CB C 3 26.230 26.230 30.599 -4.369 18363
935 1 10 . 1 1 3 3 HIS H H 3 9.010 9.010 8.022 0.988 18363
936 1 10 . 1 1 4 4 ILE N N 4 123.626 123.626 117.288 6.338 18363
937 1 10 . 1 1 4 4 ILE HA H 4 4.189 4.189 4.599 -0.410 18363
938 1 10 . 1 1 4 4 ILE CA C 4 58.576 58.576 60.258 -1.682 18363
939 1 10 . 1 1 4 4 ILE CB C 4 35.731 35.731 39.999 -4.268 18363
940 1 10 . 1 1 4 4 ILE H H 4 8.425 8.425 8.176 0.249 18363
941 1 10 . 1 1 5 5 ARG N N 5 126.410 126.410 119.304 7.106 18363
942 1 10 . 1 1 5 5 ARG HA H 5 4.414 4.414 4.432 -0.018 18363
943 1 10 . 1 1 5 5 ARG CA C 5 53.653 53.653 56.225 -2.572 18363
944 1 10 . 1 1 5 5 ARG CB C 5 29.043 29.043 30.586 -1.543 18363
945 1 10 . 1 1 5 5 ARG H H 5 8.711 8.711 8.525 0.186 18363
946 1 10 . 1 1 6 6 ARG N N 6 122.179 122.179 123.675 -1.496 18363
947 1 10 . 1 1 6 6 ARG HA H 6 4.367 4.367 4.184 0.183 18363
948 1 10 . 1 1 6 6 ARG CA C 6 52.886 52.886 56.747 -3.861 18363
949 1 10 . 1 1 6 6 ARG CB C 6 28.586 28.586 29.910 -1.324 18363
950 1 10 . 1 1 6 6 ARG H H 6 8.325 8.325 8.217 0.108 18363
951 1 10 . 1 1 7 7 LYS N N 7 123.819 123.819 127.259 -3.440 18363
952 1 10 . 1 1 7 7 LYS HA H 7 4.476 4.476 4.445 0.031 18363
953 1 10 . 1 1 7 7 LYS CA C 7 51.935 51.935 54.654 -2.719 18363
954 1 10 . 1 1 7 7 LYS CB C 7 29.578 29.578 31.897 -2.319 18363
955 1 10 . 1 1 7 7 LYS H H 7 8.447 8.447 8.131 0.316 18363
956 1 10 . 1 1 8 8 PRO HA H 8 4.393 4.393 4.458 -0.065 18363
957 1 10 . 1 1 8 8 PRO CA C 8 60.435 60.435 63.222 -2.788 18363
958 1 10 . 1 1 8 8 PRO CB C 8 29.255 29.255 31.975 -2.720 18363
959 1 10 . 1 1 9 9 LYS N N 9 120.323 120.323 122.204 -1.881 18363
960 1 10 . 1 1 9 9 LYS HA H 9 4.166 4.166 4.398 -0.232 18363
961 1 10 . 1 1 9 9 LYS CA C 9 54.057 54.057 55.921 -1.864 18363
962 1 10 . 1 1 9 9 LYS CB C 9 29.997 29.997 34.127 -4.130 18363
963 1 10 . 1 1 9 9 LYS H H 9 8.399 8.399 7.787 0.612 18363
964 1 10 . 1 1 10 10 PHE N N 10 121.894 121.894 118.689 3.205 18363
965 1 10 . 1 1 10 10 PHE HA H 10 4.688 4.688 4.290 0.398 18363
966 1 10 . 1 1 10 10 PHE CA C 10 55.395 55.395 59.555 -4.160 18363
967 1 10 . 1 1 10 10 PHE CB C 10 37.156 37.156 37.929 -0.773 18363
968 1 10 . 1 1 10 10 PHE H H 10 8.053 8.053 8.426 -0.373 18363
969 1 10 . 1 1 11 11 ARG N N 11 122.102 122.102 119.541 2.561 18363
970 1 10 . 1 1 11 11 ARG HA H 11 4.269 4.269 4.546 -0.277 18363
971 1 10 . 1 1 11 11 ARG CA C 11 53.554 53.554 55.282 -1.728 18363
972 1 10 . 1 1 11 11 ARG CB C 11 28.504 28.504 32.047 -3.543 18363
973 1 10 . 1 1 11 11 ARG H H 11 8.213 8.213 7.867 0.346 18363
974 1 10 . 1 1 12 12 LYS N N 12 121.158 121.158 122.085 -0.927 18363
975 1 10 . 1 1 12 12 LYS HA H 12 4.215 4.215 4.223 -0.008 18363
976 1 10 . 1 1 12 12 LYS CA C 12 53.741 53.741 57.583 -3.842 18363
977 1 10 . 1 1 12 12 LYS CB C 12 29.790 29.790 32.746 -2.956 18363
978 1 10 . 1 1 12 12 LYS H H 12 8.188 8.188 8.497 -0.309 18363
979 1 10 . 1 1 13 13 PHE N N 13 119.869 119.869 120.087 -0.218 18363
980 1 10 . 1 1 13 13 PHE HA H 13 4.668 4.668 4.473 0.195 18363
981 1 10 . 1 1 13 13 PHE CA C 13 54.624 54.624 57.988 -3.364 18363
982 1 10 . 1 1 13 13 PHE CB C 13 40.464 40.464 39.601 0.863 18363
983 1 10 . 1 1 13 13 PHE H H 13 8.042 8.042 8.308 -0.266 18363
984 1 10 . 1 1 14 14 LYS N N 14 122.425 122.425 121.189 1.236 18363
985 1 10 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.236 -0.008 18363
986 1 10 . 1 1 14 14 LYS CA C 14 57.694 57.694 54.793 2.901 18363
987 1 10 . 1 1 14 14 LYS CB C 14 29.816 29.816 34.960 -5.144 18363
988 1 10 . 1 1 14 14 LYS H H 14 8.297 8.297 8.200 0.097 18363
989 1 10 . 1 1 15 15 LEU N N 15 118.890 118.890 116.920 1.970 18363
990 1 10 . 1 1 15 15 LEU HA H 15 4.406 4.406 2.999 1.407 18363
991 1 10 . 1 1 15 15 LEU CA C 15 52.480 52.480 54.691 -2.212 18363
992 1 10 . 1 1 15 15 LEU CB C 15 40.168 40.168 39.058 1.110 18363
993 1 10 . 1 1 15 15 LEU H H 15 8.064 8.064 6.676 1.388 18363
994 1 10 . 1 1 16 16 TYR N N 16 120.952 120.952 115.437 5.515 18363
995 1 10 . 1 1 16 16 TYR HA H 16 4.583 4.583 4.367 0.216 18363
996 1 10 . 1 1 16 16 TYR CA C 16 54.902 54.902 55.696 -0.793 18363
997 1 10 . 1 1 16 16 TYR CB C 16 39.033 39.033 38.075 0.958 18363
998 1 10 . 1 1 16 16 TYR H H 16 8.382 8.382 7.121 1.261 18363
999 1 10 . 1 1 17 17 HIS N N 17 120.795 120.795 119.076 1.719 18363
1000 1 10 . 1 1 17 17 HIS HA H 17 4.526 4.526 4.583 -0.057 18363
1001 1 10 . 1 1 17 17 HIS CA C 17 51.935 51.935 57.637 -5.702 18363
1002 1 10 . 1 1 17 17 HIS CB C 17 26.308 26.308 28.390 -2.082 18363
1003 1 10 . 1 1 17 17 HIS H H 17 8.524 8.524 8.489 0.035 18363
1004 1 10 . 1 1 18 18 GLU N N 18 122.417 122.417 123.718 -1.301 18363
1005 1 10 . 1 1 18 18 GLU HA H 18 4.340 4.340 4.692 -0.352 18363
1006 1 10 . 1 1 18 18 GLU CA C 18 52.989 52.989 55.688 -2.700 18363
1007 1 10 . 1 1 18 18 GLU CB C 18 26.490 26.490 32.622 -6.132 18363
1008 1 10 . 1 1 18 18 GLU H H 18 8.489 8.489 8.429 0.060 18363
1009 1 10 . 1 1 19 19 GLY N N 19 110.487 110.487 109.780 0.707 18363
1010 1 10 . 1 1 19 19 GLY CA C 19 42.690 42.690 45.766 -3.076 18363
1011 1 10 . 1 1 19 19 GLY H H 19 8.504 8.504 8.497 0.007 18363
1012 1 10 . 1 1 20 20 LYS N N 20 120.892 120.892 119.675 1.217 18363
1013 1 10 . 1 1 20 20 LYS HA H 20 4.278 4.278 4.601 -0.323 18363
1014 1 10 . 1 1 20 20 LYS CB C 20 29.824 29.824 32.522 -2.698 18363
1015 1 10 . 1 1 20 20 LYS H H 20 8.348 8.348 8.304 0.044 18363
1016 1 10 . 1 1 21 21 PHE N N 21 119.510 119.510 122.286 -2.776 18363
1017 1 10 . 1 1 21 21 PHE HA H 21 4.661 4.661 4.508 0.153 18363
1018 1 10 . 1 1 21 21 PHE CA C 21 54.625 54.625 57.520 -2.895 18363
1019 1 10 . 1 1 21 21 PHE CB C 21 39.439 39.439 40.091 -0.652 18363
1020 1 10 . 1 1 21 21 PHE H H 21 8.196 8.196 8.252 -0.056 18363
1021 1 10 . 1 1 22 22 TRP N N 22 120.353 120.353 124.295 -3.942 18363
1022 1 10 . 1 1 22 22 TRP HA H 22 5.003 5.003 5.141 -0.138 18363
1023 1 10 . 1 1 22 22 TRP CA C 22 53.793 53.793 56.330 -2.537 18363
1024 1 10 . 1 1 22 22 TRP CB C 22 26.551 26.551 31.587 -5.036 18363
1025 1 10 . 1 1 22 22 TRP H H 22 8.292 8.292 8.099 0.193 18363
1026 1 10 . 1 1 23 23 CYS N N 23 122.911 122.911 123.304 -0.393 18363
1027 1 10 . 1 1 23 23 CYS HA H 23 4.989 4.989 4.566 0.423 18363
1028 1 10 . 1 1 23 23 CYS CA C 23 49.940 49.940 58.959 -9.020 18363
1029 1 10 . 1 1 23 23 CYS CB C 23 38.541 38.541 26.707 11.834 18363
1030 1 10 . 1 1 23 23 CYS H H 23 8.671 8.671 8.642 0.029 18363
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 21 2.772 -0.559 2.782 18363
2 1 1 "Average Difference" HA 23 0.398 -0.044 0.405 18363
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18363
4 1 1 "Average Difference" CA 20 3.520 2.837 2.139 18363
5 1 1 "Average Difference" CB 20 4.166 1.722 3.893 18363
6 1 1 "Average Difference" HN 21 0.572 -0.264 0.520 18363
7 1 2 "Average Difference" N 21 2.504 -0.251 2.553 18363
8 1 2 "Average Difference" HA 23 0.400 -0.083 0.400 18363
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18363
10 1 2 "Average Difference" CA 20 3.628 2.915 2.217 18363
11 1 2 "Average Difference" CB 20 3.901 1.593 3.653 18363
12 1 2 "Average Difference" HN 21 0.608 -0.217 0.582 18363
13 1 3 "Average Difference" N 21 2.264 0.137 2.316 18363
14 1 3 "Average Difference" HA 23 0.410 -0.090 0.409 18363
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18363
16 1 3 "Average Difference" CA 20 3.451 2.785 2.091 18363
17 1 3 "Average Difference" CB 20 3.965 1.783 3.633 18363
18 1 3 "Average Difference" HN 21 0.553 -0.184 0.535 18363
19 1 4 "Average Difference" N 21 3.018 -0.562 3.039 18363
20 1 4 "Average Difference" HA 23 0.362 -0.039 0.368 18363
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18363
22 1 4 "Average Difference" CA 20 3.542 2.873 2.124 18363
23 1 4 "Average Difference" CB 20 4.182 1.749 3.898 18363
24 1 4 "Average Difference" HN 21 0.540 -0.206 0.511 18363
25 1 5 "Average Difference" N 21 2.997 -0.879 2.936 18363
26 1 5 "Average Difference" HA 23 0.354 -0.057 0.357 18363
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18363
28 1 5 "Average Difference" CA 20 3.586 2.926 2.126 18363
29 1 5 "Average Difference" CB 20 4.079 1.560 3.867 18363
30 1 5 "Average Difference" HN 21 0.530 -0.204 0.501 18363
31 1 6 "Average Difference" N 21 3.153 -0.976 3.072 18363
32 1 6 "Average Difference" HA 23 0.386 -0.112 0.377 18363
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18363
34 1 6 "Average Difference" CA 20 3.503 2.820 2.133 18363
35 1 6 "Average Difference" CB 20 3.978 1.844 3.616 18363
36 1 6 "Average Difference" HN 21 0.596 -0.309 0.523 18363
37 1 7 "Average Difference" N 21 2.815 -0.180 2.879 18363
38 1 7 "Average Difference" HA 23 0.352 -0.096 0.346 18363
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18363
40 1 7 "Average Difference" CA 20 3.569 2.924 2.099 18363
41 1 7 "Average Difference" CB 20 3.943 1.743 3.629 18363
42 1 7 "Average Difference" HN 21 0.509 -0.267 0.444 18363
43 1 8 "Average Difference" N 21 2.565 -0.183 2.621 18363
44 1 8 "Average Difference" HA 23 0.382 -0.082 0.381 18363
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18363
46 1 8 "Average Difference" CA 20 3.679 2.994 2.195 18363
47 1 8 "Average Difference" CB 20 3.889 1.770 3.552 18363
48 1 8 "Average Difference" HN 21 0.613 -0.265 0.567 18363
49 1 9 "Average Difference" N 21 2.674 -0.610 2.668 18363
50 1 9 "Average Difference" HA 23 0.394 -0.061 0.398 18363
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18363
52 1 9 "Average Difference" CA 20 3.409 2.684 2.157 18363
53 1 9 "Average Difference" CB 20 4.131 1.752 3.838 18363
54 1 9 "Average Difference" HN 21 0.517 -0.252 0.463 18363
55 1 10 "Average Difference" N 21 3.093 -0.923 3.025 18363
56 1 10 "Average Difference" HA 23 0.388 -0.023 0.396 18363
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18363
58 1 10 "Average Difference" CA 20 3.581 2.870 2.198 18363
59 1 10 "Average Difference" CB 20 4.108 1.746 3.815 18363
60 1 10 "Average Difference" HN 21 0.517 -0.223 0.477 18363
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 18363
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 CYS N N 2 122.143 122.143 122.515 -0.372 18363
2 1 . 1 1 2 2 CYS HA H 2 4.867 4.867 4.713 0.153 18363
3 1 . 1 1 2 2 CYS H H 2 8.875 8.875 8.508 0.367 18363
4 1 . 1 1 3 3 HIS N N 3 121.482 121.482 120.519 0.963 18363
5 1 . 1 1 3 3 HIS HA H 3 4.738 4.738 5.139 -0.401 18363
6 1 . 1 1 3 3 HIS CA C 3 52.500 52.500 55.257 -2.757 18363
7 1 . 1 1 3 3 HIS CB C 3 26.230 26.230 30.684 -4.454 18363
8 1 . 1 1 3 3 HIS H H 3 9.010 9.010 8.081 0.929 18363
9 1 . 1 1 4 4 ILE N N 4 123.626 123.626 119.960 3.666 18363
10 1 . 1 1 4 4 ILE HA H 4 4.189 4.189 4.412 -0.223 18363
11 1 . 1 1 4 4 ILE CA C 4 58.576 58.576 60.495 -1.919 18363
12 1 . 1 1 4 4 ILE CB C 4 35.731 35.731 39.760 -4.029 18363
13 1 . 1 1 4 4 ILE H H 4 8.425 8.425 8.361 0.065 18363
14 1 . 1 1 5 5 ARG N N 5 126.410 126.410 119.436 6.974 18363
15 1 . 1 1 5 5 ARG HA H 5 4.414 4.414 4.437 -0.023 18363
16 1 . 1 1 5 5 ARG CA C 5 53.653 53.653 55.944 -2.291 18363
17 1 . 1 1 5 5 ARG CB C 5 29.043 29.043 30.774 -1.731 18363
18 1 . 1 1 5 5 ARG H H 5 8.711 8.711 8.363 0.348 18363
19 1 . 1 1 6 6 ARG N N 6 122.179 122.179 123.199 -1.020 18363
20 1 . 1 1 6 6 ARG HA H 6 4.367 4.367 4.165 0.202 18363
21 1 . 1 1 6 6 ARG CA C 6 52.886 52.886 56.461 -3.575 18363
22 1 . 1 1 6 6 ARG CB C 6 28.586 28.586 29.620 -1.034 18363
23 1 . 1 1 6 6 ARG H H 6 8.325 8.325 8.224 0.101 18363
24 1 . 1 1 7 7 LYS N N 7 123.819 123.819 126.243 -2.424 18363
25 1 . 1 1 7 7 LYS HA H 7 4.476 4.476 4.293 0.183 18363
26 1 . 1 1 7 7 LYS CA C 7 51.935 51.935 55.210 -3.275 18363
27 1 . 1 1 7 7 LYS CB C 7 29.578 29.578 31.816 -2.238 18363
28 1 . 1 1 7 7 LYS H H 7 8.447 8.447 8.106 0.341 18363
29 1 . 1 1 8 8 PRO HA H 8 4.393 4.393 4.391 0.002 18363
30 1 . 1 1 8 8 PRO CA C 8 60.435 60.435 63.234 -2.799 18363
31 1 . 1 1 8 8 PRO CB C 8 29.255 29.255 32.222 -2.967 18363
32 1 . 1 1 9 9 LYS N N 9 120.323 120.323 121.244 -0.921 18363
33 1 . 1 1 9 9 LYS HA H 9 4.166 4.166 4.380 -0.214 18363
34 1 . 1 1 9 9 LYS CA C 9 54.057 54.057 55.892 -1.835 18363
35 1 . 1 1 9 9 LYS CB C 9 29.997 29.997 33.659 -3.662 18363
36 1 . 1 1 9 9 LYS H H 9 8.399 8.399 7.881 0.519 18363
37 1 . 1 1 10 10 PHE N N 10 121.894 121.894 118.786 3.108 18363
38 1 . 1 1 10 10 PHE HA H 10 4.688 4.688 4.291 0.397 18363
39 1 . 1 1 10 10 PHE CA C 10 55.395 55.395 59.797 -4.402 18363
40 1 . 1 1 10 10 PHE CB C 10 37.156 37.156 38.164 -1.008 18363
41 1 . 1 1 10 10 PHE H H 10 8.053 8.053 8.584 -0.531 18363
42 1 . 1 1 11 11 ARG N N 11 122.102 122.102 120.735 1.367 18363
43 1 . 1 1 11 11 ARG HA H 11 4.269 4.269 4.460 -0.191 18363
44 1 . 1 1 11 11 ARG CA C 11 53.554 53.554 55.175 -1.621 18363
45 1 . 1 1 11 11 ARG CB C 11 28.504 28.504 31.850 -3.346 18363
46 1 . 1 1 11 11 ARG H H 11 8.213 8.213 7.890 0.323 18363
47 1 . 1 1 12 12 LYS N N 12 121.158 121.158 121.511 -0.353 18363
48 1 . 1 1 12 12 LYS HA H 12 4.215 4.215 4.256 -0.041 18363
49 1 . 1 1 12 12 LYS CA C 12 53.741 53.741 57.175 -3.434 18363
50 1 . 1 1 12 12 LYS CB C 12 29.790 29.790 32.583 -2.793 18363
51 1 . 1 1 12 12 LYS H H 12 8.188 8.188 8.473 -0.285 18363
52 1 . 1 1 13 13 PHE N N 13 119.869 119.869 120.642 -0.773 18363
53 1 . 1 1 13 13 PHE HA H 13 4.668 4.668 4.542 0.126 18363
54 1 . 1 1 13 13 PHE CA C 13 54.624 54.624 58.236 -3.611 18363
55 1 . 1 1 13 13 PHE CB C 13 40.464 40.464 39.723 0.741 18363
56 1 . 1 1 13 13 PHE H H 13 8.042 8.042 7.994 0.048 18363
57 1 . 1 1 14 14 LYS N N 14 122.425 122.425 122.517 -0.092 18363
58 1 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.290 -0.062 18363
59 1 . 1 1 14 14 LYS CA C 14 57.694 57.694 54.823 2.871 18363
60 1 . 1 1 14 14 LYS CB C 14 29.816 29.816 34.778 -4.962 18363
61 1 . 1 1 14 14 LYS H H 14 8.297 8.297 8.372 -0.075 18363
62 1 . 1 1 15 15 LEU N N 15 118.890 118.890 117.521 1.369 18363
63 1 . 1 1 15 15 LEU HA H 15 4.406 4.406 2.930 1.476 18363
64 1 . 1 1 15 15 LEU CA C 15 52.480 52.480 54.716 -2.236 18363
65 1 . 1 1 15 15 LEU CB C 15 40.168 40.168 39.070 1.098 18363
66 1 . 1 1 15 15 LEU H H 15 8.064 8.064 6.638 1.426 18363
67 1 . 1 1 16 16 TYR N N 16 120.952 120.952 115.618 5.334 18363
68 1 . 1 1 16 16 TYR HA H 16 4.583 4.583 4.405 0.178 18363
69 1 . 1 1 16 16 TYR CA C 16 54.902 54.902 55.991 -1.089 18363
70 1 . 1 1 16 16 TYR CB C 16 39.033 39.033 38.334 0.699 18363
71 1 . 1 1 16 16 TYR H H 16 8.382 8.382 7.064 1.318 18363
72 1 . 1 1 17 17 HIS N N 17 120.795 120.795 120.563 0.232 18363
73 1 . 1 1 17 17 HIS HA H 17 4.526 4.526 4.467 0.059 18363
74 1 . 1 1 17 17 HIS CA C 17 51.935 51.935 57.603 -5.668 18363
75 1 . 1 1 17 17 HIS CB C 17 26.308 26.308 28.665 -2.357 18363
76 1 . 1 1 17 17 HIS H H 17 8.524 8.524 8.789 -0.265 18363
77 1 . 1 1 18 18 GLU N N 18 122.417 122.417 124.251 -1.833 18363
78 1 . 1 1 18 18 GLU HA H 18 4.340 4.340 4.595 -0.255 18363
79 1 . 1 1 18 18 GLU CA C 18 52.989 52.989 55.474 -2.485 18363
80 1 . 1 1 18 18 GLU CB C 18 26.490 26.490 32.188 -5.698 18363
81 1 . 1 1 18 18 GLU H H 18 8.489 8.489 8.254 0.235 18363
82 1 . 1 1 19 19 GLY N N 19 110.487 110.487 109.683 0.804 18363
83 1 . 1 1 19 19 GLY CA C 19 42.690 42.690 45.627 -2.937 18363
84 1 . 1 1 19 19 GLY H H 19 8.504 8.504 8.469 0.035 18363
85 1 . 1 1 20 20 LYS N N 20 120.892 120.892 120.032 0.860 18363
86 1 . 1 1 20 20 LYS HA H 20 4.278 4.278 4.588 -0.310 18363
87 1 . 1 1 20 20 LYS CB C 20 29.824 29.824 32.636 -2.812 18363
88 1 . 1 1 20 20 LYS H H 20 8.348 8.348 8.349 -0.001 18363
89 1 . 1 1 21 21 PHE N N 21 119.510 119.510 122.415 -2.905 18363
90 1 . 1 1 21 21 PHE HA H 21 4.661 4.661 4.565 0.096 18363
91 1 . 1 1 21 21 PHE CA C 21 54.625 54.625 57.697 -3.071 18363
92 1 . 1 1 21 21 PHE CB C 21 39.439 39.439 39.966 -0.527 18363
93 1 . 1 1 21 21 PHE H H 21 8.196 8.196 8.346 -0.150 18363
94 1 . 1 1 22 22 TRP N N 22 120.353 120.353 123.663 -3.310 18363
95 1 . 1 1 22 22 TRP HA H 22 5.003 5.003 5.079 -0.076 18363
96 1 . 1 1 22 22 TRP CA C 22 53.793 53.793 56.296 -2.503 18363
97 1 . 1 1 22 22 TRP CB C 22 26.551 26.551 31.686 -5.135 18363
98 1 . 1 1 22 22 TRP H H 22 8.292 8.292 8.098 0.194 18363
99 1 . 1 1 23 23 CYS N N 23 122.911 122.911 123.113 -0.202 18363
100 1 . 1 1 23 23 CYS HA H 23 4.989 4.989 4.549 0.440 18363
101 1 . 1 1 23 23 CYS CA C 23 49.940 49.940 58.556 -8.616 18363
102 1 . 1 1 23 23 CYS CB C 23 38.541 38.541 26.855 11.686 18363
103 1 . 1 1 23 23 CYS H H 23 8.671 8.671 8.589 0.082 18363
stop_
save_