data_19192
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19192
_Entry.PDB_ID 2M7J
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 19192
_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 TRP HA H 2 4.695 4.695 4.330 0.365 19192
2 1 1 . 1 1 2 2 TRP CA C 2 57.250 57.250 58.071 -0.821 19192
3 1 1 . 1 1 2 2 TRP CB C 2 30.220 30.220 29.402 0.817 19192
4 1 1 . 1 1 2 2 TRP H H 2 8.187 8.187 8.512 -0.325 19192
5 1 1 . 1 1 3 3 LEU HA H 3 4.293 4.293 3.361 0.932 19192
6 1 1 . 1 1 3 3 LEU CA C 3 56.300 56.300 55.138 1.162 19192
7 1 1 . 1 1 3 3 LEU CB C 3 42.470 42.470 42.609 -0.139 19192
8 1 1 . 1 1 3 3 LEU H H 3 8.058 8.058 7.395 0.663 19192
9 1 1 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.097 0.178 19192
10 1 1 . 1 1 4 4 LYS CA C 4 57.000 57.000 56.955 0.045 19192
11 1 1 . 1 1 4 4 LYS CB C 4 32.750 32.750 31.605 1.145 19192
12 1 1 . 1 1 4 4 LYS H H 4 8.175 8.175 7.902 0.273 19192
13 1 1 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.300 -0.015 19192
14 1 1 . 1 1 5 5 LYS CA C 5 56.200 56.200 56.637 -0.437 19192
15 1 1 . 1 1 5 5 LYS CB C 5 33.040 33.040 33.892 -0.853 19192
16 1 1 . 1 1 5 5 LYS H H 5 8.173 8.173 8.507 -0.334 19192
17 1 1 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.414 -0.303 19192
18 1 1 . 1 1 6 6 ARG CA C 6 56.850 56.850 56.035 0.814 19192
19 1 1 . 1 1 6 6 ARG CB C 6 30.000 30.000 29.488 0.512 19192
20 1 1 . 1 1 6 6 ARG H H 6 8.140 8.140 8.436 -0.296 19192
21 1 1 . 1 1 7 7 ARG HA H 7 4.166 4.166 3.933 0.233 19192
22 1 1 . 1 1 7 7 ARG CA C 7 56.670 56.670 57.475 -0.805 19192
23 1 1 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.397 0.603 19192
24 1 1 . 1 1 7 7 ARG H H 7 8.191 8.191 8.591 -0.400 19192
25 1 1 . 1 1 8 8 TRP CA C 8 56.840 56.840 56.971 -0.132 19192
26 1 1 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.531 0.659 19192
27 1 1 . 1 1 8 8 TRP H H 8 7.917 7.917 7.998 -0.081 19192
28 1 1 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.672 -0.212 19192
29 1 1 . 1 1 9 9 LYS CA C 9 56.770 56.770 55.445 1.325 19192
30 1 1 . 1 1 9 9 LYS CB C 9 33.800 33.800 35.165 -1.365 19192
31 1 1 . 1 1 9 9 LYS H H 9 8.291 8.291 8.193 0.098 19192
32 1 1 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.459 -0.174 19192
33 1 1 . 1 1 10 10 LYS CA C 10 56.200 56.200 57.054 -0.854 19192
34 1 1 . 1 1 10 10 LYS CB C 10 34.010 34.010 32.779 1.231 19192
35 1 1 . 1 1 10 10 LYS H H 10 8.059 8.059 8.303 -0.244 19192
36 1 1 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.323 -0.208 19192
37 1 1 . 1 1 11 11 ALA CA C 11 52.520 52.520 53.844 -1.324 19192
38 1 1 . 1 1 11 11 ALA CB C 11 19.750 19.750 18.689 1.061 19192
39 1 1 . 1 1 11 11 ALA H H 11 8.169 8.169 8.400 -0.231 19192
40 1 2 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.537 0.158 19192
41 1 2 . 1 1 2 2 TRP CA C 2 57.250 57.250 58.922 -1.672 19192
42 1 2 . 1 1 2 2 TRP CB C 2 30.220 30.220 30.233 -0.013 19192
43 1 2 . 1 1 2 2 TRP H H 2 8.187 8.187 8.371 -0.184 19192
44 1 2 . 1 1 3 3 LEU HA H 3 4.293 4.293 3.857 0.436 19192
45 1 2 . 1 1 3 3 LEU CA C 3 56.300 56.300 55.513 0.787 19192
46 1 2 . 1 1 3 3 LEU CB C 3 42.470 42.470 40.531 1.940 19192
47 1 2 . 1 1 3 3 LEU H H 3 8.058 8.058 7.749 0.309 19192
48 1 2 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.874 -0.599 19192
49 1 2 . 1 1 4 4 LYS CA C 4 57.000 57.000 55.381 1.619 19192
50 1 2 . 1 1 4 4 LYS CB C 4 32.750 32.750 34.214 -1.464 19192
51 1 2 . 1 1 4 4 LYS H H 4 8.175 8.175 7.991 0.184 19192
52 1 2 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.674 -0.389 19192
53 1 2 . 1 1 5 5 LYS CA C 5 56.200 56.200 57.123 -0.923 19192
54 1 2 . 1 1 5 5 LYS CB C 5 33.040 33.040 34.391 -1.351 19192
55 1 2 . 1 1 5 5 LYS H H 5 8.173 8.173 9.197 -1.024 19192
56 1 2 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.702 -0.591 19192
57 1 2 . 1 1 6 6 ARG CA C 6 56.850 56.850 55.801 1.049 19192
58 1 2 . 1 1 6 6 ARG CB C 6 30.000 30.000 32.244 -2.244 19192
59 1 2 . 1 1 6 6 ARG H H 6 8.140 8.140 8.395 -0.255 19192
60 1 2 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.187 -0.021 19192
61 1 2 . 1 1 7 7 ARG CA C 7 56.670 56.670 56.550 0.120 19192
62 1 2 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.583 0.417 19192
63 1 2 . 1 1 7 7 ARG H H 7 8.191 8.191 8.480 -0.289 19192
64 1 2 . 1 1 8 8 TRP CA C 8 56.840 56.840 57.516 -0.676 19192
65 1 2 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.478 0.712 19192
66 1 2 . 1 1 8 8 TRP H H 8 7.917 7.917 7.705 0.212 19192
67 1 2 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.236 0.224 19192
68 1 2 . 1 1 9 9 LYS CA C 9 56.770 56.770 57.638 -0.868 19192
69 1 2 . 1 1 9 9 LYS CB C 9 33.800 33.800 31.766 2.034 19192
70 1 2 . 1 1 9 9 LYS H H 9 8.291 8.291 8.738 -0.447 19192
71 1 2 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.218 0.067 19192
72 1 2 . 1 1 10 10 LYS CA C 10 56.200 56.200 55.860 0.340 19192
73 1 2 . 1 1 10 10 LYS CB C 10 34.010 34.010 33.271 0.739 19192
74 1 2 . 1 1 10 10 LYS H H 10 8.059 8.059 8.064 -0.005 19192
75 1 2 . 1 1 11 11 ALA HA H 11 4.115 4.115 2.879 1.236 19192
76 1 2 . 1 1 11 11 ALA CA C 11 52.520 52.520 51.852 0.668 19192
77 1 2 . 1 1 11 11 ALA CB C 11 19.750 19.750 16.586 3.164 19192
78 1 2 . 1 1 11 11 ALA H H 11 8.169 8.169 7.511 0.658 19192
79 1 3 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.543 0.152 19192
80 1 3 . 1 1 2 2 TRP CA C 2 57.250 57.250 57.889 -0.639 19192
81 1 3 . 1 1 2 2 TRP CB C 2 30.220 30.220 29.470 0.750 19192
82 1 3 . 1 1 2 2 TRP H H 2 8.187 8.187 8.772 -0.585 19192
83 1 3 . 1 1 3 3 LEU HA H 3 4.293 4.293 4.157 0.136 19192
84 1 3 . 1 1 3 3 LEU CA C 3 56.300 56.300 53.742 2.558 19192
85 1 3 . 1 1 3 3 LEU CB C 3 42.470 42.470 44.979 -2.509 19192
86 1 3 . 1 1 3 3 LEU H H 3 8.058 8.058 7.045 1.013 19192
87 1 3 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.683 -0.408 19192
88 1 3 . 1 1 4 4 LYS CA C 4 57.000 57.000 55.139 1.861 19192
89 1 3 . 1 1 4 4 LYS CB C 4 32.750 32.750 34.344 -1.594 19192
90 1 3 . 1 1 4 4 LYS H H 4 8.175 8.175 8.035 0.140 19192
91 1 3 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.446 -0.161 19192
92 1 3 . 1 1 5 5 LYS CA C 5 56.200 56.200 56.978 -0.778 19192
93 1 3 . 1 1 5 5 LYS CB C 5 33.040 33.040 35.531 -2.491 19192
94 1 3 . 1 1 5 5 LYS H H 5 8.173 8.173 8.356 -0.183 19192
95 1 3 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.588 -0.476 19192
96 1 3 . 1 1 6 6 ARG CA C 6 56.850 56.850 56.345 0.505 19192
97 1 3 . 1 1 6 6 ARG CB C 6 30.000 30.000 31.492 -1.492 19192
98 1 3 . 1 1 6 6 ARG H H 6 8.140 8.140 8.309 -0.169 19192
99 1 3 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.112 0.054 19192
100 1 3 . 1 1 7 7 ARG CA C 7 56.670 56.670 56.291 0.379 19192
101 1 3 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.962 0.038 19192
102 1 3 . 1 1 7 7 ARG H H 7 8.191 8.191 8.127 0.064 19192
103 1 3 . 1 1 8 8 TRP CA C 8 56.840 56.840 56.639 0.201 19192
104 1 3 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.663 0.527 19192
105 1 3 . 1 1 8 8 TRP H H 8 7.917 7.917 7.875 0.042 19192
106 1 3 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.245 0.215 19192
107 1 3 . 1 1 9 9 LYS CA C 9 56.770 56.770 56.117 0.653 19192
108 1 3 . 1 1 9 9 LYS CB C 9 33.800 33.800 33.313 0.487 19192
109 1 3 . 1 1 9 9 LYS H H 9 8.291 8.291 8.465 -0.174 19192
110 1 3 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.263 0.022 19192
111 1 3 . 1 1 10 10 LYS CA C 10 56.200 56.200 57.911 -1.711 19192
112 1 3 . 1 1 10 10 LYS CB C 10 34.010 34.010 32.686 1.324 19192
113 1 3 . 1 1 10 10 LYS H H 10 8.059 8.059 8.023 0.036 19192
114 1 3 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.183 -0.068 19192
115 1 3 . 1 1 11 11 ALA CA C 11 52.520 52.520 51.754 0.766 19192
116 1 3 . 1 1 11 11 ALA CB C 11 19.750 19.750 19.229 0.521 19192
117 1 3 . 1 1 11 11 ALA H H 11 8.169 8.169 7.642 0.527 19192
118 1 4 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.710 -0.015 19192
119 1 4 . 1 1 2 2 TRP CA C 2 57.250 57.250 58.141 -0.891 19192
120 1 4 . 1 1 2 2 TRP CB C 2 30.220 30.220 27.925 2.295 19192
121 1 4 . 1 1 2 2 TRP H H 2 8.187 8.187 8.082 0.105 19192
122 1 4 . 1 1 3 3 LEU HA H 3 4.293 4.293 3.191 1.102 19192
123 1 4 . 1 1 3 3 LEU CA C 3 56.300 56.300 55.034 1.266 19192
124 1 4 . 1 1 3 3 LEU CB C 3 42.470 42.470 41.980 0.490 19192
125 1 4 . 1 1 3 3 LEU H H 3 8.058 8.058 6.327 1.731 19192
126 1 4 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.945 -0.670 19192
127 1 4 . 1 1 4 4 LYS CA C 4 57.000 57.000 55.230 1.770 19192
128 1 4 . 1 1 4 4 LYS CB C 4 32.750 32.750 33.926 -1.176 19192
129 1 4 . 1 1 4 4 LYS H H 4 8.175 8.175 7.929 0.246 19192
130 1 4 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.137 0.148 19192
131 1 4 . 1 1 5 5 LYS CA C 5 56.200 56.200 57.464 -1.264 19192
132 1 4 . 1 1 5 5 LYS CB C 5 33.040 33.040 31.019 2.021 19192
133 1 4 . 1 1 5 5 LYS H H 5 8.173 8.173 8.660 -0.487 19192
134 1 4 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.377 -0.266 19192
135 1 4 . 1 1 6 6 ARG CA C 6 56.850 56.850 55.504 1.346 19192
136 1 4 . 1 1 6 6 ARG CB C 6 30.000 30.000 31.087 -1.087 19192
137 1 4 . 1 1 6 6 ARG H H 6 8.140 8.140 7.865 0.275 19192
138 1 4 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.074 0.092 19192
139 1 4 . 1 1 7 7 ARG CA C 7 56.670 56.670 57.552 -0.882 19192
140 1 4 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.845 0.155 19192
141 1 4 . 1 1 7 7 ARG H H 7 8.191 8.191 8.296 -0.105 19192
142 1 4 . 1 1 8 8 TRP CA C 8 56.840 56.840 57.094 -0.254 19192
143 1 4 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.282 0.908 19192
144 1 4 . 1 1 8 8 TRP H H 8 7.917 7.917 7.646 0.271 19192
145 1 4 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.585 -0.125 19192
146 1 4 . 1 1 9 9 LYS CA C 9 56.770 56.770 57.028 -0.258 19192
147 1 4 . 1 1 9 9 LYS CB C 9 33.800 33.800 33.279 0.520 19192
148 1 4 . 1 1 9 9 LYS H H 9 8.291 8.291 8.800 -0.509 19192
149 1 4 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.509 -0.224 19192
150 1 4 . 1 1 10 10 LYS CA C 10 56.200 56.200 56.919 -0.719 19192
151 1 4 . 1 1 10 10 LYS CB C 10 34.010 34.010 33.231 0.779 19192
152 1 4 . 1 1 10 10 LYS H H 10 8.059 8.059 8.807 -0.748 19192
153 1 4 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.303 -0.188 19192
154 1 4 . 1 1 11 11 ALA CA C 11 52.520 52.520 51.952 0.568 19192
155 1 4 . 1 1 11 11 ALA CB C 11 19.750 19.750 19.494 0.256 19192
156 1 4 . 1 1 11 11 ALA H H 11 8.169 8.169 7.829 0.340 19192
157 1 5 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.909 -0.214 19192
158 1 5 . 1 1 2 2 TRP CA C 2 57.250 57.250 55.745 1.506 19192
159 1 5 . 1 1 2 2 TRP CB C 2 30.220 30.220 28.813 1.407 19192
160 1 5 . 1 1 2 2 TRP H H 2 8.187 8.187 7.594 0.593 19192
161 1 5 . 1 1 3 3 LEU HA H 3 4.293 4.293 4.396 -0.103 19192
162 1 5 . 1 1 3 3 LEU CA C 3 56.300 56.300 55.170 1.130 19192
163 1 5 . 1 1 3 3 LEU CB C 3 42.470 42.470 42.636 -0.166 19192
164 1 5 . 1 1 3 3 LEU H H 3 8.058 8.058 8.033 0.025 19192
165 1 5 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.346 -0.071 19192
166 1 5 . 1 1 4 4 LYS CA C 4 57.000 57.000 57.222 -0.223 19192
167 1 5 . 1 1 4 4 LYS CB C 4 32.750 32.750 31.628 1.122 19192
168 1 5 . 1 1 4 4 LYS H H 4 8.175 8.175 8.186 -0.011 19192
169 1 5 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.304 -0.019 19192
170 1 5 . 1 1 5 5 LYS CA C 5 56.200 56.200 57.979 -1.779 19192
171 1 5 . 1 1 5 5 LYS CB C 5 33.040 33.040 33.390 -0.350 19192
172 1 5 . 1 1 5 5 LYS H H 5 8.173 8.173 8.563 -0.390 19192
173 1 5 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.427 -0.316 19192
174 1 5 . 1 1 6 6 ARG CA C 6 56.850 56.850 56.203 0.647 19192
175 1 5 . 1 1 6 6 ARG CB C 6 30.000 30.000 29.514 0.486 19192
176 1 5 . 1 1 6 6 ARG H H 6 8.140 8.140 8.424 -0.284 19192
177 1 5 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.006 0.160 19192
178 1 5 . 1 1 7 7 ARG CA C 7 56.670 56.670 57.468 -0.798 19192
179 1 5 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.562 0.438 19192
180 1 5 . 1 1 7 7 ARG H H 7 8.191 8.191 8.616 -0.425 19192
181 1 5 . 1 1 8 8 TRP CA C 8 56.840 56.840 57.139 -0.299 19192
182 1 5 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.817 0.374 19192
183 1 5 . 1 1 8 8 TRP H H 8 7.917 7.917 7.770 0.147 19192
184 1 5 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.336 0.124 19192
185 1 5 . 1 1 9 9 LYS CA C 9 56.770 56.770 56.639 0.131 19192
186 1 5 . 1 1 9 9 LYS CB C 9 33.800 33.800 33.028 0.772 19192
187 1 5 . 1 1 9 9 LYS H H 9 8.291 8.291 8.688 -0.397 19192
188 1 5 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.524 -0.239 19192
189 1 5 . 1 1 10 10 LYS CA C 10 56.200 56.200 54.838 1.362 19192
190 1 5 . 1 1 10 10 LYS CB C 10 34.010 34.010 32.191 1.819 19192
191 1 5 . 1 1 10 10 LYS H H 10 8.059 8.059 8.400 -0.341 19192
192 1 5 . 1 1 11 11 ALA HA H 11 4.115 4.115 3.991 0.124 19192
193 1 5 . 1 1 11 11 ALA CA C 11 52.520 52.520 53.794 -1.274 19192
194 1 5 . 1 1 11 11 ALA CB C 11 19.750 19.750 18.814 0.937 19192
195 1 5 . 1 1 11 11 ALA H H 11 8.169 8.169 8.043 0.126 19192
196 1 6 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.927 -0.232 19192
197 1 6 . 1 1 2 2 TRP CA C 2 57.250 57.250 55.335 1.915 19192
198 1 6 . 1 1 2 2 TRP CB C 2 30.220 30.220 29.465 0.755 19192
199 1 6 . 1 1 2 2 TRP H H 2 8.187 8.187 7.503 0.684 19192
200 1 6 . 1 1 3 3 LEU HA H 3 4.293 4.293 4.662 -0.369 19192
201 1 6 . 1 1 3 3 LEU CA C 3 56.300 56.300 54.127 2.173 19192
202 1 6 . 1 1 3 3 LEU CB C 3 42.470 42.470 43.654 -1.185 19192
203 1 6 . 1 1 3 3 LEU H H 3 8.058 8.058 8.435 -0.377 19192
204 1 6 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.822 -0.547 19192
205 1 6 . 1 1 4 4 LYS CA C 4 57.000 57.000 56.234 0.766 19192
206 1 6 . 1 1 4 4 LYS CB C 4 32.750 32.750 34.207 -1.457 19192
207 1 6 . 1 1 4 4 LYS H H 4 8.175 8.175 8.290 -0.115 19192
208 1 6 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.607 -0.322 19192
209 1 6 . 1 1 5 5 LYS CA C 5 56.200 56.200 57.073 -0.873 19192
210 1 6 . 1 1 5 5 LYS CB C 5 33.040 33.040 34.399 -1.359 19192
211 1 6 . 1 1 5 5 LYS H H 5 8.173 8.173 8.869 -0.696 19192
212 1 6 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.538 -0.427 19192
213 1 6 . 1 1 6 6 ARG CA C 6 56.850 56.850 56.549 0.301 19192
214 1 6 . 1 1 6 6 ARG CB C 6 30.000 30.000 31.029 -1.029 19192
215 1 6 . 1 1 6 6 ARG H H 6 8.140 8.140 8.156 -0.016 19192
216 1 6 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.153 0.013 19192
217 1 6 . 1 1 7 7 ARG CA C 7 56.670 56.670 56.269 0.401 19192
218 1 6 . 1 1 7 7 ARG CB C 7 30.000 30.000 30.065 -0.065 19192
219 1 6 . 1 1 7 7 ARG H H 7 8.191 8.191 8.246 -0.055 19192
220 1 6 . 1 1 8 8 TRP CA C 8 56.840 56.840 56.744 0.096 19192
221 1 6 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.852 0.338 19192
222 1 6 . 1 1 8 8 TRP H H 8 7.917 7.917 7.992 -0.075 19192
223 1 6 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.808 -0.348 19192
224 1 6 . 1 1 9 9 LYS CA C 9 56.770 56.770 56.529 0.241 19192
225 1 6 . 1 1 9 9 LYS CB C 9 33.800 33.800 33.344 0.456 19192
226 1 6 . 1 1 9 9 LYS H H 9 8.291 8.291 8.522 -0.231 19192
227 1 6 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.614 -0.329 19192
228 1 6 . 1 1 10 10 LYS CA C 10 56.200 56.200 55.137 1.063 19192
229 1 6 . 1 1 10 10 LYS CB C 10 34.010 34.010 34.842 -0.832 19192
230 1 6 . 1 1 10 10 LYS H H 10 8.059 8.059 8.006 0.053 19192
231 1 6 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.213 -0.098 19192
232 1 6 . 1 1 11 11 ALA CA C 11 52.520 52.520 51.436 1.084 19192
233 1 6 . 1 1 11 11 ALA CB C 11 19.750 19.750 20.038 -0.288 19192
234 1 6 . 1 1 11 11 ALA H H 11 8.169 8.169 8.041 0.128 19192
235 1 7 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.622 0.073 19192
236 1 7 . 1 1 2 2 TRP CA C 2 57.250 57.250 57.772 -0.522 19192
237 1 7 . 1 1 2 2 TRP CB C 2 30.220 30.220 30.275 -0.055 19192
238 1 7 . 1 1 2 2 TRP H H 2 8.187 8.187 8.335 -0.148 19192
239 1 7 . 1 1 3 3 LEU HA H 3 4.293 4.293 4.004 0.289 19192
240 1 7 . 1 1 3 3 LEU CA C 3 56.300 56.300 55.252 1.048 19192
241 1 7 . 1 1 3 3 LEU CB C 3 42.470 42.470 42.084 0.386 19192
242 1 7 . 1 1 3 3 LEU H H 3 8.058 8.058 7.753 0.305 19192
243 1 7 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.631 -0.356 19192
244 1 7 . 1 1 4 4 LYS CA C 4 57.000 57.000 55.442 1.558 19192
245 1 7 . 1 1 4 4 LYS CB C 4 32.750 32.750 32.332 0.418 19192
246 1 7 . 1 1 4 4 LYS H H 4 8.175 8.175 8.476 -0.301 19192
247 1 7 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.352 -0.067 19192
248 1 7 . 1 1 5 5 LYS CA C 5 56.200 56.200 57.976 -1.776 19192
249 1 7 . 1 1 5 5 LYS CB C 5 33.040 33.040 33.483 -0.443 19192
250 1 7 . 1 1 5 5 LYS H H 5 8.173 8.173 8.425 -0.252 19192
251 1 7 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.394 -0.283 19192
252 1 7 . 1 1 6 6 ARG CA C 6 56.850 56.850 56.268 0.582 19192
253 1 7 . 1 1 6 6 ARG CB C 6 30.000 30.000 29.977 0.023 19192
254 1 7 . 1 1 6 6 ARG H H 6 8.140 8.140 8.619 -0.479 19192
255 1 7 . 1 1 7 7 ARG HA H 7 4.166 4.166 3.946 0.220 19192
256 1 7 . 1 1 7 7 ARG CA C 7 56.670 56.670 57.556 -0.886 19192
257 1 7 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.505 0.495 19192
258 1 7 . 1 1 7 7 ARG H H 7 8.191 8.191 8.580 -0.389 19192
259 1 7 . 1 1 8 8 TRP CA C 8 56.840 56.840 57.145 -0.305 19192
260 1 7 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.989 0.201 19192
261 1 7 . 1 1 8 8 TRP H H 8 7.917 7.917 7.585 0.332 19192
262 1 7 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.659 -0.199 19192
263 1 7 . 1 1 9 9 LYS CA C 9 56.770 56.770 54.901 1.869 19192
264 1 7 . 1 1 9 9 LYS CB C 9 33.800 33.800 35.730 -1.929 19192
265 1 7 . 1 1 9 9 LYS H H 9 8.291 8.291 8.839 -0.548 19192
266 1 7 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.015 0.270 19192
267 1 7 . 1 1 10 10 LYS CA C 10 56.200 56.200 60.041 -3.841 19192
268 1 7 . 1 1 10 10 LYS CB C 10 34.010 34.010 32.801 1.208 19192
269 1 7 . 1 1 10 10 LYS H H 10 8.059 8.059 8.542 -0.483 19192
270 1 7 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.483 -0.368 19192
271 1 7 . 1 1 11 11 ALA CA C 11 52.520 52.520 52.204 0.316 19192
272 1 7 . 1 1 11 11 ALA CB C 11 19.750 19.750 19.561 0.189 19192
273 1 7 . 1 1 11 11 ALA H H 11 8.169 8.169 7.963 0.206 19192
274 1 8 . 1 1 2 2 TRP HA H 2 4.695 4.695 5.068 -0.373 19192
275 1 8 . 1 1 2 2 TRP CA C 2 57.250 57.250 55.535 1.715 19192
276 1 8 . 1 1 2 2 TRP CB C 2 30.220 30.220 29.804 0.416 19192
277 1 8 . 1 1 2 2 TRP H H 2 8.187 8.187 7.851 0.336 19192
278 1 8 . 1 1 3 3 LEU HA H 3 4.293 4.293 4.339 -0.046 19192
279 1 8 . 1 1 3 3 LEU CA C 3 56.300 56.300 55.084 1.216 19192
280 1 8 . 1 1 3 3 LEU CB C 3 42.470 42.470 42.809 -0.339 19192
281 1 8 . 1 1 3 3 LEU H H 3 8.058 8.058 8.219 -0.161 19192
282 1 8 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.355 -0.080 19192
283 1 8 . 1 1 4 4 LYS CA C 4 57.000 57.000 57.370 -0.370 19192
284 1 8 . 1 1 4 4 LYS CB C 4 32.750 32.750 32.969 -0.219 19192
285 1 8 . 1 1 4 4 LYS H H 4 8.175 8.175 8.005 0.170 19192
286 1 8 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.517 -0.232 19192
287 1 8 . 1 1 5 5 LYS CA C 5 56.200 56.200 57.308 -1.108 19192
288 1 8 . 1 1 5 5 LYS CB C 5 33.040 33.040 34.283 -1.243 19192
289 1 8 . 1 1 5 5 LYS H H 5 8.173 8.173 8.503 -0.330 19192
290 1 8 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.611 -0.500 19192
291 1 8 . 1 1 6 6 ARG CA C 6 56.850 56.850 56.666 0.184 19192
292 1 8 . 1 1 6 6 ARG CB C 6 30.000 30.000 30.735 -0.735 19192
293 1 8 . 1 1 6 6 ARG H H 6 8.140 8.140 8.241 -0.101 19192
294 1 8 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.125 0.041 19192
295 1 8 . 1 1 7 7 ARG CA C 7 56.670 56.670 56.145 0.525 19192
296 1 8 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.936 0.064 19192
297 1 8 . 1 1 7 7 ARG H H 7 8.191 8.191 8.271 -0.080 19192
298 1 8 . 1 1 8 8 TRP CA C 8 56.840 56.840 56.514 0.326 19192
299 1 8 . 1 1 8 8 TRP CB C 8 30.190 30.190 28.513 1.677 19192
300 1 8 . 1 1 8 8 TRP H H 8 7.917 7.917 8.245 -0.328 19192
301 1 8 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.499 -0.039 19192
302 1 8 . 1 1 9 9 LYS CA C 9 56.770 56.770 56.016 0.754 19192
303 1 8 . 1 1 9 9 LYS CB C 9 33.800 33.800 32.846 0.954 19192
304 1 8 . 1 1 9 9 LYS H H 9 8.291 8.291 7.596 0.695 19192
305 1 8 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.249 0.036 19192
306 1 8 . 1 1 10 10 LYS CA C 10 56.200 56.200 55.885 0.315 19192
307 1 8 . 1 1 10 10 LYS CB C 10 34.010 34.010 32.943 1.067 19192
308 1 8 . 1 1 10 10 LYS H H 10 8.059 8.059 7.912 0.147 19192
309 1 8 . 1 1 11 11 ALA HA H 11 4.115 4.115 3.902 0.213 19192
310 1 8 . 1 1 11 11 ALA CA C 11 52.520 52.520 52.716 -0.196 19192
311 1 8 . 1 1 11 11 ALA CB C 11 19.750 19.750 17.975 1.775 19192
312 1 8 . 1 1 11 11 ALA H H 11 8.169 8.169 7.899 0.270 19192
313 1 9 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.610 0.085 19192
314 1 9 . 1 1 2 2 TRP CA C 2 57.250 57.250 57.851 -0.601 19192
315 1 9 . 1 1 2 2 TRP CB C 2 30.220 30.220 29.791 0.429 19192
316 1 9 . 1 1 2 2 TRP H H 2 8.187 8.187 8.610 -0.423 19192
317 1 9 . 1 1 3 3 LEU HA H 3 4.293 4.293 4.715 -0.422 19192
318 1 9 . 1 1 3 3 LEU CA C 3 56.300 56.300 54.650 1.650 19192
319 1 9 . 1 1 3 3 LEU CB C 3 42.470 42.470 44.298 -1.829 19192
320 1 9 . 1 1 3 3 LEU H H 3 8.058 8.058 8.464 -0.406 19192
321 1 9 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.905 -0.630 19192
322 1 9 . 1 1 4 4 LYS CA C 4 57.000 57.000 55.589 1.411 19192
323 1 9 . 1 1 4 4 LYS CB C 4 32.750 32.750 34.583 -1.833 19192
324 1 9 . 1 1 4 4 LYS H H 4 8.175 8.175 8.461 -0.286 19192
325 1 9 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.413 -0.128 19192
326 1 9 . 1 1 5 5 LYS CA C 5 56.200 56.200 57.029 -0.829 19192
327 1 9 . 1 1 5 5 LYS CB C 5 33.040 33.040 34.971 -1.931 19192
328 1 9 . 1 1 5 5 LYS H H 5 8.173 8.173 8.940 -0.767 19192
329 1 9 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.447 -0.337 19192
330 1 9 . 1 1 6 6 ARG CA C 6 56.850 56.850 56.273 0.577 19192
331 1 9 . 1 1 6 6 ARG CB C 6 30.000 30.000 29.573 0.427 19192
332 1 9 . 1 1 6 6 ARG H H 6 8.140 8.140 8.361 -0.221 19192
333 1 9 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.021 0.145 19192
334 1 9 . 1 1 7 7 ARG CA C 7 56.670 56.670 57.394 -0.724 19192
335 1 9 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.437 0.563 19192
336 1 9 . 1 1 7 7 ARG H H 7 8.191 8.191 8.568 -0.377 19192
337 1 9 . 1 1 8 8 TRP CA C 8 56.840 56.840 57.438 -0.598 19192
338 1 9 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.641 0.549 19192
339 1 9 . 1 1 8 8 TRP H H 8 7.917 7.917 7.652 0.265 19192
340 1 9 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.557 -0.097 19192
341 1 9 . 1 1 9 9 LYS CA C 9 56.770 56.770 55.992 0.777 19192
342 1 9 . 1 1 9 9 LYS CB C 9 33.800 33.800 32.773 1.027 19192
343 1 9 . 1 1 9 9 LYS H H 9 8.291 8.291 8.518 -0.227 19192
344 1 9 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.372 -0.087 19192
345 1 9 . 1 1 10 10 LYS CA C 10 56.200 56.200 56.714 -0.514 19192
346 1 9 . 1 1 10 10 LYS CB C 10 34.010 34.010 33.833 0.177 19192
347 1 9 . 1 1 10 10 LYS H H 10 8.059 8.059 8.037 0.022 19192
348 1 9 . 1 1 11 11 ALA HA H 11 4.115 4.115 3.769 0.346 19192
349 1 9 . 1 1 11 11 ALA CA C 11 52.520 52.520 52.197 0.323 19192
350 1 9 . 1 1 11 11 ALA CB C 11 19.750 19.750 18.821 0.929 19192
351 1 9 . 1 1 11 11 ALA H H 11 8.169 8.169 8.444 -0.275 19192
352 1 10 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.893 -0.198 19192
353 1 10 . 1 1 2 2 TRP CA C 2 57.250 57.250 55.194 2.056 19192
354 1 10 . 1 1 2 2 TRP CB C 2 30.220 30.220 29.317 0.903 19192
355 1 10 . 1 1 2 2 TRP H H 2 8.187 8.187 7.762 0.425 19192
356 1 10 . 1 1 3 3 LEU HA H 3 4.293 4.293 4.376 -0.083 19192
357 1 10 . 1 1 3 3 LEU CA C 3 56.300 56.300 53.877 2.423 19192
358 1 10 . 1 1 3 3 LEU CB C 3 42.470 42.470 40.835 1.635 19192
359 1 10 . 1 1 3 3 LEU H H 3 8.058 8.058 8.537 -0.479 19192
360 1 10 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.601 -0.326 19192
361 1 10 . 1 1 4 4 LYS CA C 4 57.000 57.000 56.695 0.305 19192
362 1 10 . 1 1 4 4 LYS CB C 4 32.750 32.750 33.391 -0.641 19192
363 1 10 . 1 1 4 4 LYS H H 4 8.175 8.175 7.803 0.372 19192
364 1 10 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.508 -0.223 19192
365 1 10 . 1 1 5 5 LYS CA C 5 56.200 56.200 56.565 -0.365 19192
366 1 10 . 1 1 5 5 LYS CB C 5 33.040 33.040 34.360 -1.320 19192
367 1 10 . 1 1 5 5 LYS H H 5 8.173 8.173 8.641 -0.468 19192
368 1 10 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.433 -0.322 19192
369 1 10 . 1 1 6 6 ARG CA C 6 56.850 56.850 56.336 0.514 19192
370 1 10 . 1 1 6 6 ARG CB C 6 30.000 30.000 29.235 0.765 19192
371 1 10 . 1 1 6 6 ARG H H 6 8.140 8.140 8.716 -0.576 19192
372 1 10 . 1 1 7 7 ARG HA H 7 4.166 4.166 3.964 0.202 19192
373 1 10 . 1 1 7 7 ARG CA C 7 56.670 56.670 57.510 -0.840 19192
374 1 10 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.392 0.608 19192
375 1 10 . 1 1 7 7 ARG H H 7 8.191 8.191 8.645 -0.454 19192
376 1 10 . 1 1 8 8 TRP CA C 8 56.840 56.840 56.688 0.152 19192
377 1 10 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.662 0.528 19192
378 1 10 . 1 1 8 8 TRP H H 8 7.917 7.917 7.913 0.004 19192
379 1 10 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.393 0.067 19192
380 1 10 . 1 1 9 9 LYS CA C 9 56.770 56.770 56.799 -0.029 19192
381 1 10 . 1 1 9 9 LYS CB C 9 33.800 33.800 33.261 0.539 19192
382 1 10 . 1 1 9 9 LYS H H 9 8.291 8.291 8.290 0.001 19192
383 1 10 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.229 0.056 19192
384 1 10 . 1 1 10 10 LYS CA C 10 56.200 56.200 58.663 -2.463 19192
385 1 10 . 1 1 10 10 LYS CB C 10 34.010 34.010 32.572 1.438 19192
386 1 10 . 1 1 10 10 LYS H H 10 8.059 8.059 8.625 -0.566 19192
387 1 10 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.003 0.112 19192
388 1 10 . 1 1 11 11 ALA CA C 11 52.520 52.520 53.422 -0.902 19192
389 1 10 . 1 1 11 11 ALA CB C 11 19.750 19.750 16.767 2.983 19192
390 1 10 . 1 1 11 11 ALA H H 11 8.169 8.169 8.296 -0.127 19192
391 1 11 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.651 0.044 19192
392 1 11 . 1 1 2 2 TRP CA C 2 57.250 57.250 56.117 1.133 19192
393 1 11 . 1 1 2 2 TRP CB C 2 30.220 30.220 30.023 0.197 19192
394 1 11 . 1 1 2 2 TRP H H 2 8.187 8.187 8.307 -0.120 19192
395 1 11 . 1 1 3 3 LEU HA H 3 4.293 4.293 4.433 -0.140 19192
396 1 11 . 1 1 3 3 LEU CA C 3 56.300 56.300 54.359 1.941 19192
397 1 11 . 1 1 3 3 LEU CB C 3 42.470 42.470 42.968 -0.498 19192
398 1 11 . 1 1 3 3 LEU H H 3 8.058 8.058 8.236 -0.178 19192
399 1 11 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.135 0.140 19192
400 1 11 . 1 1 4 4 LYS CA C 4 57.000 57.000 57.056 -0.056 19192
401 1 11 . 1 1 4 4 LYS CB C 4 32.750 32.750 29.910 2.840 19192
402 1 11 . 1 1 4 4 LYS H H 4 8.175 8.175 7.868 0.307 19192
403 1 11 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.137 0.148 19192
404 1 11 . 1 1 5 5 LYS CA C 5 56.200 56.200 56.450 -0.250 19192
405 1 11 . 1 1 5 5 LYS CB C 5 33.040 33.040 33.449 -0.409 19192
406 1 11 . 1 1 5 5 LYS H H 5 8.173 8.173 8.184 -0.011 19192
407 1 11 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.244 -0.133 19192
408 1 11 . 1 1 6 6 ARG CA C 6 56.850 56.850 57.411 -0.561 19192
409 1 11 . 1 1 6 6 ARG CB C 6 30.000 30.000 30.204 -0.204 19192
410 1 11 . 1 1 6 6 ARG H H 6 8.140 8.140 8.434 -0.294 19192
411 1 11 . 1 1 7 7 ARG HA H 7 4.166 4.166 3.913 0.253 19192
412 1 11 . 1 1 7 7 ARG CA C 7 56.670 56.670 57.382 -0.712 19192
413 1 11 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.053 0.947 19192
414 1 11 . 1 1 7 7 ARG H H 7 8.191 8.191 8.808 -0.617 19192
415 1 11 . 1 1 8 8 TRP CA C 8 56.840 56.840 55.377 1.463 19192
416 1 11 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.113 1.077 19192
417 1 11 . 1 1 8 8 TRP H H 8 7.917 7.917 7.848 0.069 19192
418 1 11 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.393 0.067 19192
419 1 11 . 1 1 9 9 LYS CA C 9 56.770 56.770 55.726 1.044 19192
420 1 11 . 1 1 9 9 LYS CB C 9 33.800 33.800 33.561 0.239 19192
421 1 11 . 1 1 9 9 LYS H H 9 8.291 8.291 8.585 -0.294 19192
422 1 11 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.109 0.176 19192
423 1 11 . 1 1 10 10 LYS CA C 10 56.200 56.200 57.578 -1.379 19192
424 1 11 . 1 1 10 10 LYS CB C 10 34.010 34.010 32.645 1.365 19192
425 1 11 . 1 1 10 10 LYS H H 10 8.059 8.059 8.454 -0.395 19192
426 1 11 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.266 -0.151 19192
427 1 11 . 1 1 11 11 ALA CA C 11 52.520 52.520 54.501 -1.981 19192
428 1 11 . 1 1 11 11 ALA CB C 11 19.750 19.750 19.164 0.586 19192
429 1 11 . 1 1 11 11 ALA H H 11 8.169 8.169 8.609 -0.440 19192
430 1 12 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.437 0.258 19192
431 1 12 . 1 1 2 2 TRP CA C 2 57.250 57.250 57.175 0.075 19192
432 1 12 . 1 1 2 2 TRP CB C 2 30.220 30.220 29.756 0.464 19192
433 1 12 . 1 1 2 2 TRP H H 2 8.187 8.187 8.505 -0.318 19192
434 1 12 . 1 1 3 3 LEU HA H 3 4.293 4.293 4.649 -0.356 19192
435 1 12 . 1 1 3 3 LEU CA C 3 56.300 56.300 53.191 3.109 19192
436 1 12 . 1 1 3 3 LEU CB C 3 42.470 42.470 41.805 0.665 19192
437 1 12 . 1 1 3 3 LEU H H 3 8.058 8.058 7.887 0.171 19192
438 1 12 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.352 -0.077 19192
439 1 12 . 1 1 4 4 LYS CA C 4 57.000 57.000 57.433 -0.433 19192
440 1 12 . 1 1 4 4 LYS CB C 4 32.750 32.750 32.938 -0.188 19192
441 1 12 . 1 1 4 4 LYS H H 4 8.175 8.175 8.350 -0.175 19192
442 1 12 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.442 -0.157 19192
443 1 12 . 1 1 5 5 LYS CA C 5 56.200 56.200 57.446 -1.246 19192
444 1 12 . 1 1 5 5 LYS CB C 5 33.040 33.040 33.835 -0.795 19192
445 1 12 . 1 1 5 5 LYS H H 5 8.173 8.173 8.637 -0.464 19192
446 1 12 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.459 -0.348 19192
447 1 12 . 1 1 6 6 ARG CA C 6 56.850 56.850 56.715 0.135 19192
448 1 12 . 1 1 6 6 ARG CB C 6 30.000 30.000 30.128 -0.128 19192
449 1 12 . 1 1 6 6 ARG H H 6 8.140 8.140 8.569 -0.429 19192
450 1 12 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.176 -0.010 19192
451 1 12 . 1 1 7 7 ARG CA C 7 56.670 56.670 56.186 0.484 19192
452 1 12 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.906 0.094 19192
453 1 12 . 1 1 7 7 ARG H H 7 8.191 8.191 8.381 -0.190 19192
454 1 12 . 1 1 8 8 TRP CA C 8 56.840 56.840 57.071 -0.231 19192
455 1 12 . 1 1 8 8 TRP CB C 8 30.190 30.190 30.342 -0.152 19192
456 1 12 . 1 1 8 8 TRP H H 8 7.917 7.917 8.187 -0.270 19192
457 1 12 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.390 0.070 19192
458 1 12 . 1 1 9 9 LYS CA C 9 56.770 56.770 55.659 1.111 19192
459 1 12 . 1 1 9 9 LYS CB C 9 33.800 33.800 35.211 -1.411 19192
460 1 12 . 1 1 9 9 LYS H H 9 8.291 8.291 8.484 -0.193 19192
461 1 12 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.001 0.284 19192
462 1 12 . 1 1 10 10 LYS CA C 10 56.200 56.200 56.895 -0.695 19192
463 1 12 . 1 1 10 10 LYS CB C 10 34.010 34.010 31.773 2.237 19192
464 1 12 . 1 1 10 10 LYS H H 10 8.059 8.059 8.306 -0.247 19192
465 1 12 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.406 -0.291 19192
466 1 12 . 1 1 11 11 ALA CA C 11 52.520 52.520 52.691 -0.171 19192
467 1 12 . 1 1 11 11 ALA CB C 11 19.750 19.750 19.901 -0.151 19192
468 1 12 . 1 1 11 11 ALA H H 11 8.169 8.169 8.143 0.026 19192
469 1 13 . 1 1 2 2 TRP HA H 2 4.695 4.695 5.079 -0.384 19192
470 1 13 . 1 1 2 2 TRP CA C 2 57.250 57.250 58.118 -0.868 19192
471 1 13 . 1 1 2 2 TRP CB C 2 30.220 30.220 29.190 1.030 19192
472 1 13 . 1 1 2 2 TRP H H 2 8.187 8.187 7.966 0.221 19192
473 1 13 . 1 1 3 3 LEU HA H 3 4.293 4.293 3.719 0.574 19192
474 1 13 . 1 1 3 3 LEU CA C 3 56.300 56.300 55.876 0.424 19192
475 1 13 . 1 1 3 3 LEU CB C 3 42.470 42.470 40.132 2.338 19192
476 1 13 . 1 1 3 3 LEU H H 3 8.058 8.058 7.107 0.951 19192
477 1 13 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.410 -0.135 19192
478 1 13 . 1 1 4 4 LYS CA C 4 57.000 57.000 56.536 0.464 19192
479 1 13 . 1 1 4 4 LYS CB C 4 32.750 32.750 30.804 1.946 19192
480 1 13 . 1 1 4 4 LYS H H 4 8.175 8.175 8.648 -0.473 19192
481 1 13 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.558 -0.273 19192
482 1 13 . 1 1 5 5 LYS CA C 5 56.200 56.200 56.187 0.013 19192
483 1 13 . 1 1 5 5 LYS CB C 5 33.040 33.040 32.598 0.442 19192
484 1 13 . 1 1 5 5 LYS H H 5 8.173 8.173 8.348 -0.175 19192
485 1 13 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.405 -0.294 19192
486 1 13 . 1 1 6 6 ARG CA C 6 56.850 56.850 55.878 0.972 19192
487 1 13 . 1 1 6 6 ARG CB C 6 30.000 30.000 31.094 -1.094 19192
488 1 13 . 1 1 6 6 ARG H H 6 8.140 8.140 7.886 0.254 19192
489 1 13 . 1 1 7 7 ARG HA H 7 4.166 4.166 3.944 0.222 19192
490 1 13 . 1 1 7 7 ARG CA C 7 56.670 56.670 58.663 -1.994 19192
491 1 13 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.657 0.343 19192
492 1 13 . 1 1 7 7 ARG H H 7 8.191 8.191 8.610 -0.419 19192
493 1 13 . 1 1 8 8 TRP CA C 8 56.840 56.840 57.739 -0.899 19192
494 1 13 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.448 0.742 19192
495 1 13 . 1 1 8 8 TRP H H 8 7.917 7.917 7.656 0.261 19192
496 1 13 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.253 0.207 19192
497 1 13 . 1 1 9 9 LYS CA C 9 56.770 56.770 57.781 -1.011 19192
498 1 13 . 1 1 9 9 LYS CB C 9 33.800 33.800 32.066 1.734 19192
499 1 13 . 1 1 9 9 LYS H H 9 8.291 8.291 8.322 -0.031 19192
500 1 13 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.348 -0.063 19192
501 1 13 . 1 1 10 10 LYS CA C 10 56.200 56.200 56.953 -0.753 19192
502 1 13 . 1 1 10 10 LYS CB C 10 34.010 34.010 33.502 0.508 19192
503 1 13 . 1 1 10 10 LYS H H 10 8.059 8.059 8.346 -0.287 19192
504 1 13 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.363 -0.248 19192
505 1 13 . 1 1 11 11 ALA CA C 11 52.520 52.520 51.991 0.529 19192
506 1 13 . 1 1 11 11 ALA CB C 11 19.750 19.750 19.973 -0.223 19192
507 1 13 . 1 1 11 11 ALA H H 11 8.169 8.169 7.859 0.310 19192
508 1 14 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.994 -0.299 19192
509 1 14 . 1 1 2 2 TRP CA C 2 57.250 57.250 57.235 0.015 19192
510 1 14 . 1 1 2 2 TRP CB C 2 30.220 30.220 30.660 -0.440 19192
511 1 14 . 1 1 2 2 TRP H H 2 8.187 8.187 8.456 -0.269 19192
512 1 14 . 1 1 3 3 LEU HA H 3 4.293 4.293 4.513 -0.220 19192
513 1 14 . 1 1 3 3 LEU CA C 3 56.300 56.300 54.287 2.013 19192
514 1 14 . 1 1 3 3 LEU CB C 3 42.470 42.470 42.668 -0.198 19192
515 1 14 . 1 1 3 3 LEU H H 3 8.058 8.058 7.966 0.092 19192
516 1 14 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.577 -0.302 19192
517 1 14 . 1 1 4 4 LYS CA C 4 57.000 57.000 57.316 -0.316 19192
518 1 14 . 1 1 4 4 LYS CB C 4 32.750 32.750 33.149 -0.399 19192
519 1 14 . 1 1 4 4 LYS H H 4 8.175 8.175 8.302 -0.127 19192
520 1 14 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.074 0.211 19192
521 1 14 . 1 1 5 5 LYS CA C 5 56.200 56.200 57.501 -1.301 19192
522 1 14 . 1 1 5 5 LYS CB C 5 33.040 33.040 30.663 2.377 19192
523 1 14 . 1 1 5 5 LYS H H 5 8.173 8.173 8.431 -0.258 19192
524 1 14 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.358 -0.247 19192
525 1 14 . 1 1 6 6 ARG CA C 6 56.850 56.850 55.477 1.373 19192
526 1 14 . 1 1 6 6 ARG CB C 6 30.000 30.000 31.000 -1.000 19192
527 1 14 . 1 1 6 6 ARG H H 6 8.140 8.140 8.054 0.086 19192
528 1 14 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.127 0.039 19192
529 1 14 . 1 1 7 7 ARG CA C 7 56.670 56.670 57.249 -0.579 19192
530 1 14 . 1 1 7 7 ARG CB C 7 30.000 30.000 30.076 -0.076 19192
531 1 14 . 1 1 7 7 ARG H H 7 8.191 8.191 8.311 -0.120 19192
532 1 14 . 1 1 8 8 TRP CA C 8 56.840 56.840 57.414 -0.574 19192
533 1 14 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.300 0.890 19192
534 1 14 . 1 1 8 8 TRP H H 8 7.917 7.917 7.959 -0.042 19192
535 1 14 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.443 0.017 19192
536 1 14 . 1 1 9 9 LYS CA C 9 56.770 56.770 56.466 0.304 19192
537 1 14 . 1 1 9 9 LYS CB C 9 33.800 33.800 34.338 -0.538 19192
538 1 14 . 1 1 9 9 LYS H H 9 8.291 8.291 8.646 -0.355 19192
539 1 14 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.062 0.223 19192
540 1 14 . 1 1 10 10 LYS CA C 10 56.200 56.200 53.955 2.245 19192
541 1 14 . 1 1 10 10 LYS CB C 10 34.010 34.010 31.229 2.781 19192
542 1 14 . 1 1 10 10 LYS H H 10 8.059 8.059 8.099 -0.040 19192
543 1 14 . 1 1 11 11 ALA HA H 11 4.115 4.115 3.535 0.580 19192
544 1 14 . 1 1 11 11 ALA CA C 11 52.520 52.520 53.528 -1.008 19192
545 1 14 . 1 1 11 11 ALA CB C 11 19.750 19.750 18.862 0.888 19192
546 1 14 . 1 1 11 11 ALA H H 11 8.169 8.169 7.334 0.835 19192
547 1 15 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.769 -0.074 19192
548 1 15 . 1 1 2 2 TRP CA C 2 57.250 57.250 55.260 1.990 19192
549 1 15 . 1 1 2 2 TRP CB C 2 30.220 30.220 28.782 1.438 19192
550 1 15 . 1 1 2 2 TRP H H 2 8.187 8.187 7.914 0.273 19192
551 1 15 . 1 1 3 3 LEU HA H 3 4.293 4.293 4.211 0.082 19192
552 1 15 . 1 1 3 3 LEU CA C 3 56.300 56.300 55.440 0.860 19192
553 1 15 . 1 1 3 3 LEU CB C 3 42.470 42.470 42.477 -0.007 19192
554 1 15 . 1 1 3 3 LEU H H 3 8.058 8.058 8.380 -0.322 19192
555 1 15 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.579 -0.304 19192
556 1 15 . 1 1 4 4 LYS CA C 4 57.000 57.000 57.721 -0.721 19192
557 1 15 . 1 1 4 4 LYS CB C 4 32.750 32.750 33.488 -0.738 19192
558 1 15 . 1 1 4 4 LYS H H 4 8.175 8.175 8.384 -0.209 19192
559 1 15 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.074 0.211 19192
560 1 15 . 1 1 5 5 LYS CA C 5 56.200 56.200 58.848 -2.648 19192
561 1 15 . 1 1 5 5 LYS CB C 5 33.040 33.040 32.393 0.647 19192
562 1 15 . 1 1 5 5 LYS H H 5 8.173 8.173 8.610 -0.437 19192
563 1 15 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.463 -0.352 19192
564 1 15 . 1 1 6 6 ARG CA C 6 56.850 56.850 56.379 0.471 19192
565 1 15 . 1 1 6 6 ARG CB C 6 30.000 30.000 30.744 -0.744 19192
566 1 15 . 1 1 6 6 ARG H H 6 8.140 8.140 8.722 -0.582 19192
567 1 15 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.164 0.002 19192
568 1 15 . 1 1 7 7 ARG CA C 7 56.670 56.670 56.501 0.169 19192
569 1 15 . 1 1 7 7 ARG CB C 7 30.000 30.000 31.009 -1.010 19192
570 1 15 . 1 1 7 7 ARG H H 7 8.191 8.191 8.091 0.100 19192
571 1 15 . 1 1 8 8 TRP CA C 8 56.840 56.840 56.742 0.098 19192
572 1 15 . 1 1 8 8 TRP CB C 8 30.190 30.190 30.695 -0.505 19192
573 1 15 . 1 1 8 8 TRP H H 8 7.917 7.917 8.231 -0.314 19192
574 1 15 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.679 -0.219 19192
575 1 15 . 1 1 9 9 LYS CA C 9 56.770 56.770 56.537 0.233 19192
576 1 15 . 1 1 9 9 LYS CB C 9 33.800 33.800 32.818 0.982 19192
577 1 15 . 1 1 9 9 LYS H H 9 8.291 8.291 8.496 -0.205 19192
578 1 15 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.669 -0.384 19192
579 1 15 . 1 1 10 10 LYS CA C 10 56.200 56.200 57.125 -0.925 19192
580 1 15 . 1 1 10 10 LYS CB C 10 34.010 34.010 33.464 0.546 19192
581 1 15 . 1 1 10 10 LYS H H 10 8.059 8.059 8.286 -0.227 19192
582 1 15 . 1 1 11 11 ALA HA H 11 4.115 4.115 3.960 0.155 19192
583 1 15 . 1 1 11 11 ALA CA C 11 52.520 52.520 52.059 0.462 19192
584 1 15 . 1 1 11 11 ALA CB C 11 19.750 19.750 18.785 0.965 19192
585 1 15 . 1 1 11 11 ALA H H 11 8.169 8.169 7.924 0.245 19192
586 1 16 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.772 -0.077 19192
587 1 16 . 1 1 2 2 TRP CA C 2 57.250 57.250 57.449 -0.199 19192
588 1 16 . 1 1 2 2 TRP CB C 2 30.220 30.220 28.362 1.858 19192
589 1 16 . 1 1 2 2 TRP H H 2 8.187 8.187 7.684 0.503 19192
590 1 16 . 1 1 3 3 LEU HA H 3 4.293 4.293 3.701 0.592 19192
591 1 16 . 1 1 3 3 LEU CA C 3 56.300 56.300 54.896 1.404 19192
592 1 16 . 1 1 3 3 LEU CB C 3 42.470 42.470 41.532 0.938 19192
593 1 16 . 1 1 3 3 LEU H H 3 8.058 8.058 7.108 0.950 19192
594 1 16 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.030 0.245 19192
595 1 16 . 1 1 4 4 LYS CA C 4 57.000 57.000 57.459 -0.459 19192
596 1 16 . 1 1 4 4 LYS CB C 4 32.750 32.750 32.768 -0.018 19192
597 1 16 . 1 1 4 4 LYS H H 4 8.175 8.175 8.163 0.012 19192
598 1 16 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.612 -0.327 19192
599 1 16 . 1 1 5 5 LYS CA C 5 56.200 56.200 55.419 0.781 19192
600 1 16 . 1 1 5 5 LYS CB C 5 33.040 33.040 35.689 -2.649 19192
601 1 16 . 1 1 5 5 LYS H H 5 8.173 8.173 8.535 -0.362 19192
602 1 16 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.066 0.045 19192
603 1 16 . 1 1 6 6 ARG CA C 6 56.850 56.850 57.799 -0.949 19192
604 1 16 . 1 1 6 6 ARG CB C 6 30.000 30.000 29.930 0.070 19192
605 1 16 . 1 1 6 6 ARG H H 6 8.140 8.140 8.547 -0.407 19192
606 1 16 . 1 1 7 7 ARG HA H 7 4.166 4.166 3.942 0.224 19192
607 1 16 . 1 1 7 7 ARG CA C 7 56.670 56.670 58.799 -2.129 19192
608 1 16 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.811 0.189 19192
609 1 16 . 1 1 7 7 ARG H H 7 8.191 8.191 8.598 -0.407 19192
610 1 16 . 1 1 8 8 TRP CA C 8 56.840 56.840 58.212 -1.372 19192
611 1 16 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.836 0.354 19192
612 1 16 . 1 1 8 8 TRP H H 8 7.917 7.917 7.534 0.383 19192
613 1 16 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.141 0.319 19192
614 1 16 . 1 1 9 9 LYS CA C 9 56.770 56.770 57.168 -0.398 19192
615 1 16 . 1 1 9 9 LYS CB C 9 33.800 33.800 31.507 2.293 19192
616 1 16 . 1 1 9 9 LYS H H 9 8.291 8.291 8.355 -0.064 19192
617 1 16 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.471 -0.186 19192
618 1 16 . 1 1 10 10 LYS CA C 10 56.200 56.200 54.952 1.248 19192
619 1 16 . 1 1 10 10 LYS CB C 10 34.010 34.010 35.323 -1.313 19192
620 1 16 . 1 1 10 10 LYS H H 10 8.059 8.059 7.952 0.107 19192
621 1 16 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.727 -0.612 19192
622 1 16 . 1 1 11 11 ALA CA C 11 52.520 52.520 51.475 1.045 19192
623 1 16 . 1 1 11 11 ALA CB C 11 19.750 19.750 20.405 -0.655 19192
624 1 16 . 1 1 11 11 ALA H H 11 8.169 8.169 8.599 -0.430 19192
625 1 17 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.972 -0.277 19192
626 1 17 . 1 1 2 2 TRP CA C 2 57.250 57.250 57.393 -0.143 19192
627 1 17 . 1 1 2 2 TRP CB C 2 30.220 30.220 29.830 0.390 19192
628 1 17 . 1 1 2 2 TRP H H 2 8.187 8.187 8.723 -0.536 19192
629 1 17 . 1 1 3 3 LEU HA H 3 4.293 4.293 4.400 -0.107 19192
630 1 17 . 1 1 3 3 LEU CA C 3 56.300 56.300 55.976 0.324 19192
631 1 17 . 1 1 3 3 LEU CB C 3 42.470 42.470 43.208 -0.738 19192
632 1 17 . 1 1 3 3 LEU H H 3 8.058 8.058 8.236 -0.178 19192
633 1 17 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.493 -0.218 19192
634 1 17 . 1 1 4 4 LYS CA C 4 57.000 57.000 56.997 0.003 19192
635 1 17 . 1 1 4 4 LYS CB C 4 32.750 32.750 31.320 1.430 19192
636 1 17 . 1 1 4 4 LYS H H 4 8.175 8.175 8.327 -0.152 19192
637 1 17 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.461 -0.176 19192
638 1 17 . 1 1 5 5 LYS CA C 5 56.200 56.200 56.809 -0.609 19192
639 1 17 . 1 1 5 5 LYS CB C 5 33.040 33.040 34.547 -1.507 19192
640 1 17 . 1 1 5 5 LYS H H 5 8.173 8.173 8.574 -0.401 19192
641 1 17 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.390 -0.279 19192
642 1 17 . 1 1 6 6 ARG CA C 6 56.850 56.850 55.824 1.026 19192
643 1 17 . 1 1 6 6 ARG CB C 6 30.000 30.000 30.270 -0.270 19192
644 1 17 . 1 1 6 6 ARG H H 6 8.140 8.140 8.565 -0.425 19192
645 1 17 . 1 1 7 7 ARG HA H 7 4.166 4.166 3.962 0.204 19192
646 1 17 . 1 1 7 7 ARG CA C 7 56.670 56.670 57.521 -0.851 19192
647 1 17 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.297 0.703 19192
648 1 17 . 1 1 7 7 ARG H H 7 8.191 8.191 8.745 -0.554 19192
649 1 17 . 1 1 8 8 TRP CA C 8 56.840 56.840 56.078 0.762 19192
650 1 17 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.497 0.693 19192
651 1 17 . 1 1 8 8 TRP H H 8 7.917 7.917 7.796 0.121 19192
652 1 17 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.472 -0.012 19192
653 1 17 . 1 1 9 9 LYS CA C 9 56.770 56.770 55.860 0.910 19192
654 1 17 . 1 1 9 9 LYS CB C 9 33.800 33.800 33.896 -0.096 19192
655 1 17 . 1 1 9 9 LYS H H 9 8.291 8.291 8.964 -0.673 19192
656 1 17 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.041 0.244 19192
657 1 17 . 1 1 10 10 LYS CA C 10 56.200 56.200 59.558 -3.358 19192
658 1 17 . 1 1 10 10 LYS CB C 10 34.010 34.010 32.651 1.359 19192
659 1 17 . 1 1 10 10 LYS H H 10 8.059 8.059 8.595 -0.536 19192
660 1 17 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.397 -0.282 19192
661 1 17 . 1 1 11 11 ALA CA C 11 52.520 52.520 51.963 0.557 19192
662 1 17 . 1 1 11 11 ALA CB C 11 19.750 19.750 19.168 0.582 19192
663 1 17 . 1 1 11 11 ALA H H 11 8.169 8.169 7.824 0.345 19192
664 1 18 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.611 0.084 19192
665 1 18 . 1 1 2 2 TRP CA C 2 57.250 57.250 56.828 0.422 19192
666 1 18 . 1 1 2 2 TRP CB C 2 30.220 30.220 29.212 1.008 19192
667 1 18 . 1 1 2 2 TRP H H 2 8.187 8.187 7.959 0.228 19192
668 1 18 . 1 1 3 3 LEU HA H 3 4.293 4.293 4.065 0.228 19192
669 1 18 . 1 1 3 3 LEU CA C 3 56.300 56.300 54.734 1.566 19192
670 1 18 . 1 1 3 3 LEU CB C 3 42.470 42.470 42.467 0.003 19192
671 1 18 . 1 1 3 3 LEU H H 3 8.058 8.058 8.114 -0.056 19192
672 1 18 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.682 -0.407 19192
673 1 18 . 1 1 4 4 LYS CA C 4 57.000 57.000 55.252 1.748 19192
674 1 18 . 1 1 4 4 LYS CB C 4 32.750 32.750 34.586 -1.836 19192
675 1 18 . 1 1 4 4 LYS H H 4 8.175 8.175 8.201 -0.026 19192
676 1 18 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.490 -0.205 19192
677 1 18 . 1 1 5 5 LYS CA C 5 56.200 56.200 56.837 -0.637 19192
678 1 18 . 1 1 5 5 LYS CB C 5 33.040 33.040 34.599 -1.559 19192
679 1 18 . 1 1 5 5 LYS H H 5 8.173 8.173 8.693 -0.520 19192
680 1 18 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.428 -0.317 19192
681 1 18 . 1 1 6 6 ARG CA C 6 56.850 56.850 56.152 0.698 19192
682 1 18 . 1 1 6 6 ARG CB C 6 30.000 30.000 29.701 0.299 19192
683 1 18 . 1 1 6 6 ARG H H 6 8.140 8.140 8.703 -0.563 19192
684 1 18 . 1 1 7 7 ARG HA H 7 4.166 4.166 3.953 0.213 19192
685 1 18 . 1 1 7 7 ARG CA C 7 56.670 56.670 57.306 -0.636 19192
686 1 18 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.047 0.953 19192
687 1 18 . 1 1 7 7 ARG H H 7 8.191 8.191 8.699 -0.508 19192
688 1 18 . 1 1 8 8 TRP CA C 8 56.840 56.840 56.599 0.241 19192
689 1 18 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.847 0.343 19192
690 1 18 . 1 1 8 8 TRP H H 8 7.917 7.917 7.944 -0.027 19192
691 1 18 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.445 0.015 19192
692 1 18 . 1 1 9 9 LYS CA C 9 56.770 56.770 56.345 0.425 19192
693 1 18 . 1 1 9 9 LYS CB C 9 33.800 33.800 32.589 1.211 19192
694 1 18 . 1 1 9 9 LYS H H 9 8.291 8.291 8.398 -0.107 19192
695 1 18 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.288 -0.003 19192
696 1 18 . 1 1 10 10 LYS CA C 10 56.200 56.200 56.733 -0.534 19192
697 1 18 . 1 1 10 10 LYS CB C 10 34.010 34.010 32.609 1.401 19192
698 1 18 . 1 1 10 10 LYS H H 10 8.059 8.059 8.479 -0.420 19192
699 1 18 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.240 -0.125 19192
700 1 18 . 1 1 11 11 ALA CA C 11 52.520 52.520 51.584 0.936 19192
701 1 18 . 1 1 11 11 ALA CB C 11 19.750 19.750 19.924 -0.174 19192
702 1 18 . 1 1 11 11 ALA H H 11 8.169 8.169 7.898 0.271 19192
703 1 19 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.344 0.351 19192
704 1 19 . 1 1 2 2 TRP CA C 2 57.250 57.250 57.876 -0.626 19192
705 1 19 . 1 1 2 2 TRP CB C 2 30.220 30.220 28.900 1.320 19192
706 1 19 . 1 1 2 2 TRP H H 2 8.187 8.187 8.368 -0.181 19192
707 1 19 . 1 1 3 3 LEU HA H 3 4.293 4.293 3.909 0.384 19192
708 1 19 . 1 1 3 3 LEU CA C 3 56.300 56.300 54.373 1.927 19192
709 1 19 . 1 1 3 3 LEU CB C 3 42.470 42.470 41.765 0.705 19192
710 1 19 . 1 1 3 3 LEU H H 3 8.058 8.058 7.507 0.551 19192
711 1 19 . 1 1 4 4 LYS HA H 4 4.275 4.275 3.912 0.363 19192
712 1 19 . 1 1 4 4 LYS CA C 4 57.000 57.000 56.798 0.202 19192
713 1 19 . 1 1 4 4 LYS CB C 4 32.750 32.750 31.063 1.687 19192
714 1 19 . 1 1 4 4 LYS H H 4 8.175 8.175 6.189 1.986 19192
715 1 19 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.368 -0.083 19192
716 1 19 . 1 1 5 5 LYS CA C 5 56.200 56.200 56.661 -0.461 19192
717 1 19 . 1 1 5 5 LYS CB C 5 33.040 33.040 34.613 -1.573 19192
718 1 19 . 1 1 5 5 LYS H H 5 8.173 8.173 8.250 -0.077 19192
719 1 19 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.534 -0.423 19192
720 1 19 . 1 1 6 6 ARG CA C 6 56.850 56.850 56.063 0.787 19192
721 1 19 . 1 1 6 6 ARG CB C 6 30.000 30.000 29.421 0.579 19192
722 1 19 . 1 1 6 6 ARG H H 6 8.140 8.140 8.803 -0.663 19192
723 1 19 . 1 1 7 7 ARG HA H 7 4.166 4.166 3.952 0.214 19192
724 1 19 . 1 1 7 7 ARG CA C 7 56.670 56.670 57.511 -0.841 19192
725 1 19 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.444 0.556 19192
726 1 19 . 1 1 7 7 ARG H H 7 8.191 8.191 8.651 -0.460 19192
727 1 19 . 1 1 8 8 TRP CA C 8 56.840 56.840 56.528 0.312 19192
728 1 19 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.350 0.840 19192
729 1 19 . 1 1 8 8 TRP H H 8 7.917 7.917 7.841 0.076 19192
730 1 19 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.357 0.102 19192
731 1 19 . 1 1 9 9 LYS CA C 9 56.770 56.770 56.735 0.035 19192
732 1 19 . 1 1 9 9 LYS CB C 9 33.800 33.800 34.625 -0.825 19192
733 1 19 . 1 1 9 9 LYS H H 9 8.291 8.291 8.615 -0.324 19192
734 1 19 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.624 -0.339 19192
735 1 19 . 1 1 10 10 LYS CA C 10 56.200 56.200 55.204 0.996 19192
736 1 19 . 1 1 10 10 LYS CB C 10 34.010 34.010 32.616 1.394 19192
737 1 19 . 1 1 10 10 LYS H H 10 8.059 8.059 8.170 -0.111 19192
738 1 19 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.665 -0.550 19192
739 1 19 . 1 1 11 11 ALA CA C 11 52.520 52.520 52.361 0.159 19192
740 1 19 . 1 1 11 11 ALA CB C 11 19.750 19.750 19.434 0.316 19192
741 1 19 . 1 1 11 11 ALA H H 11 8.169 8.169 8.452 -0.283 19192
742 1 20 . 1 1 2 2 TRP HA H 2 4.695 4.695 5.108 -0.413 19192
743 1 20 . 1 1 2 2 TRP CA C 2 57.250 57.250 56.399 0.851 19192
744 1 20 . 1 1 2 2 TRP CB C 2 30.220 30.220 28.860 1.360 19192
745 1 20 . 1 1 2 2 TRP H H 2 8.187 8.187 7.633 0.554 19192
746 1 20 . 1 1 3 3 LEU HA H 3 4.293 4.293 3.965 0.328 19192
747 1 20 . 1 1 3 3 LEU CA C 3 56.300 56.300 54.824 1.476 19192
748 1 20 . 1 1 3 3 LEU CB C 3 42.470 42.470 42.956 -0.485 19192
749 1 20 . 1 1 3 3 LEU H H 3 8.058 8.058 7.592 0.466 19192
750 1 20 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.654 -0.379 19192
751 1 20 . 1 1 4 4 LYS CA C 4 57.000 57.000 56.992 0.008 19192
752 1 20 . 1 1 4 4 LYS CB C 4 32.750 32.750 33.848 -1.098 19192
753 1 20 . 1 1 4 4 LYS H H 4 8.175 8.175 8.499 -0.324 19192
754 1 20 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.070 0.215 19192
755 1 20 . 1 1 5 5 LYS CA C 5 56.200 56.200 58.835 -2.635 19192
756 1 20 . 1 1 5 5 LYS CB C 5 33.040 33.040 31.410 1.630 19192
757 1 20 . 1 1 5 5 LYS H H 5 8.173 8.173 8.237 -0.064 19192
758 1 20 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.405 -0.294 19192
759 1 20 . 1 1 6 6 ARG CA C 6 56.850 56.850 55.766 1.084 19192
760 1 20 . 1 1 6 6 ARG CB C 6 30.000 30.000 30.773 -0.773 19192
761 1 20 . 1 1 6 6 ARG H H 6 8.140 8.140 8.217 -0.077 19192
762 1 20 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.021 0.145 19192
763 1 20 . 1 1 7 7 ARG CA C 7 56.670 56.670 57.720 -1.050 19192
764 1 20 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.008 0.992 19192
765 1 20 . 1 1 7 7 ARG H H 7 8.191 8.191 8.512 -0.321 19192
766 1 20 . 1 1 8 8 TRP CA C 8 56.840 56.840 56.248 0.592 19192
767 1 20 . 1 1 8 8 TRP CB C 8 30.190 30.190 26.881 3.309 19192
768 1 20 . 1 1 8 8 TRP H H 8 7.917 7.917 7.857 0.060 19192
769 1 20 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.870 -0.410 19192
770 1 20 . 1 1 9 9 LYS CA C 9 56.770 56.770 55.400 1.371 19192
771 1 20 . 1 1 9 9 LYS CB C 9 33.800 33.800 31.482 2.318 19192
772 1 20 . 1 1 9 9 LYS H H 9 8.291 8.291 8.714 -0.423 19192
773 1 20 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.288 -0.003 19192
774 1 20 . 1 1 10 10 LYS CA C 10 56.200 56.200 56.012 0.188 19192
775 1 20 . 1 1 10 10 LYS CB C 10 34.010 34.010 32.508 1.502 19192
776 1 20 . 1 1 10 10 LYS H H 10 8.059 8.059 8.034 0.025 19192
777 1 20 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.413 -0.298 19192
778 1 20 . 1 1 11 11 ALA CA C 11 52.520 52.520 52.525 -0.005 19192
779 1 20 . 1 1 11 11 ALA CB C 11 19.750 19.750 18.639 1.111 19192
780 1 20 . 1 1 11 11 ALA H H 11 8.169 8.169 8.592 -0.423 19192
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Entity_delta_chem_shifts_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Data_low_range
_SPARTA_output.Data_high_range
_SPARTA_output.Entry_ID
1 1 1 "Average Difference" N 0 0.000 0.000 0.000 19192
2 1 1 "Average Difference" HA 9 0.380 -0.088 0.392 19192
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19192
4 1 1 "Average Difference" CA 10 0.882 0.103 0.924 19192
5 1 1 "Average Difference" CB 10 0.911 -0.367 0.878 19192
6 1 1 "Average Difference" HN 10 0.333 0.088 0.338 19192
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19192
8 1 2 "Average Difference" HA 9 0.543 -0.058 0.573 19192
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19192
10 1 2 "Average Difference" CA 10 0.989 -0.044 1.041 19192
11 1 2 "Average Difference" CB 10 1.677 -0.393 1.719 19192
12 1 2 "Average Difference" HN 10 0.451 0.084 0.467 19192
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19192
14 1 3 "Average Difference" HA 9 0.239 0.059 0.246 19192
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19192
16 1 3 "Average Difference" CA 10 1.241 -0.379 1.245 19192
17 1 3 "Average Difference" CB 10 1.427 0.444 1.430 19192
18 1 3 "Average Difference" HN 10 0.420 -0.071 0.437 19192
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19192
20 1 4 "Average Difference" HA 9 0.455 0.016 0.483 19192
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19192
22 1 4 "Average Difference" CA 10 1.034 -0.068 1.087 19192
23 1 4 "Average Difference" CB 10 1.181 -0.516 1.120 19192
24 1 4 "Average Difference" HN 10 0.663 -0.112 0.689 19192
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19192
26 1 5 "Average Difference" HA 9 0.175 0.062 0.174 19192
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19192
28 1 5 "Average Difference" CA 10 1.068 -0.040 1.124 19192
29 1 5 "Average Difference" CB 10 0.935 -0.684 0.672 19192
30 1 5 "Average Difference" HN 10 0.328 0.096 0.331 19192
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19192
32 1 6 "Average Difference" HA 9 0.336 0.295 0.169 19192
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19192
34 1 6 "Average Difference" CA 10 1.112 -0.717 0.896 19192
35 1 6 "Average Difference" CB 10 0.900 0.467 0.812 19192
36 1 6 "Average Difference" HN 10 0.345 0.070 0.356 19192
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19192
38 1 7 "Average Difference" HA 9 0.257 0.047 0.269 19192
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19192
40 1 7 "Average Difference" CA 10 1.628 0.196 1.704 19192
41 1 7 "Average Difference" CB 10 0.776 -0.049 0.817 19192
42 1 7 "Average Difference" HN 10 0.366 0.176 0.338 19192
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19192
44 1 8 "Average Difference" HA 9 0.236 0.109 0.222 19192
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19192
46 1 8 "Average Difference" CA 10 0.831 -0.336 0.801 19192
47 1 8 "Average Difference" CB 10 1.021 -0.342 1.015 19192
48 1 8 "Average Difference" HN 10 0.313 -0.062 0.323 19192
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19192
50 1 9 "Average Difference" HA 9 0.311 0.125 0.302 19192
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19192
52 1 9 "Average Difference" CA 10 0.892 -0.147 0.927 19192
53 1 9 "Average Difference" CB 10 1.156 0.149 1.209 19192
54 1 9 "Average Difference" HN 10 0.375 0.270 0.274 19192
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19192
56 1 10 "Average Difference" HA 9 0.202 0.079 0.197 19192
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19192
58 1 10 "Average Difference" CA 10 1.349 -0.085 1.419 19192
59 1 10 "Average Difference" CB 10 1.347 -0.744 1.183 19192
60 1 10 "Average Difference" HN 10 0.405 0.187 0.379 19192
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19192
62 1 11 "Average Difference" HA 9 0.150 -0.045 0.152 19192
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19192
64 1 11 "Average Difference" CA 10 1.224 -0.064 1.289 19192
65 1 11 "Average Difference" CB 10 1.135 -0.614 1.006 19192
66 1 11 "Average Difference" HN 10 0.324 0.197 0.271 19192
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19192
68 1 12 "Average Difference" HA 9 0.239 0.070 0.243 19192
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19192
70 1 12 "Average Difference" CA 10 1.160 -0.214 1.202 19192
71 1 12 "Average Difference" CB 10 0.916 -0.064 0.963 19192
72 1 12 "Average Difference" HN 10 0.277 0.209 0.192 19192
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19192
74 1 13 "Average Difference" HA 9 0.301 0.044 0.316 19192
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19192
76 1 13 "Average Difference" CA 10 0.935 0.312 0.929 19192
77 1 13 "Average Difference" CB 10 1.253 -0.777 1.036 19192
78 1 13 "Average Difference" HN 10 0.412 -0.061 0.429 19192
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19192
80 1 14 "Average Difference" HA 9 0.283 -0.000 0.300 19192
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19192
82 1 14 "Average Difference" CA 10 1.206 -0.217 1.251 19192
83 1 14 "Average Difference" CB 10 1.290 -0.428 1.283 19192
84 1 14 "Average Difference" HN 10 0.318 0.020 0.335 19192
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19192
86 1 15 "Average Difference" HA 9 0.234 0.098 0.225 19192
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19192
88 1 15 "Average Difference" CA 10 1.167 0.001 1.230 19192
89 1 15 "Average Difference" CB 10 0.840 -0.157 0.869 19192
90 1 15 "Average Difference" HN 10 0.318 0.168 0.285 19192
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19192
92 1 16 "Average Difference" HA 9 0.347 -0.025 0.368 19192
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19192
94 1 16 "Average Difference" CA 10 1.138 0.103 1.195 19192
95 1 16 "Average Difference" CB 10 1.376 -0.107 1.446 19192
96 1 16 "Average Difference" HN 10 0.443 -0.028 0.466 19192
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19192
98 1 17 "Average Difference" HA 9 0.218 0.101 0.205 19192
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19192
100 1 17 "Average Difference" CA 10 1.236 0.138 1.294 19192
101 1 17 "Average Difference" CB 10 0.909 -0.255 0.919 19192
102 1 17 "Average Difference" HN 10 0.432 0.299 0.328 19192
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19192
104 1 18 "Average Difference" HA 9 0.218 0.057 0.223 19192
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19192
106 1 18 "Average Difference" CA 10 0.916 -0.423 0.856 19192
107 1 18 "Average Difference" CB 10 1.067 -0.165 1.112 19192
108 1 18 "Average Difference" HN 10 0.341 0.173 0.310 19192
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19192
110 1 19 "Average Difference" HA 9 0.343 -0.002 0.364 19192
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19192
112 1 19 "Average Difference" CA 10 0.825 -0.249 0.829 19192
113 1 19 "Average Difference" CB 10 1.079 -0.500 1.007 19192
114 1 19 "Average Difference" HN 10 0.717 -0.052 0.754 19192
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19192
116 1 20 "Average Difference" HA 9 0.304 0.123 0.295 19192
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19192
118 1 20 "Average Difference" CA 10 1.199 -0.188 1.249 19192
119 1 20 "Average Difference" CB 10 1.654 -0.987 1.399 19192
120 1 20 "Average Difference" HN 10 0.332 0.053 0.346 19192
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 19192
_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 TRP HA H 2 4.695 4.695 4.744 -0.049 19192
2 1 . 1 1 2 2 TRP CA C 2 57.250 57.250 57.015 0.235 19192
3 1 . 1 1 2 2 TRP CB C 2 30.220 30.220 29.404 0.816 19192
4 1 . 1 1 2 2 TRP H H 2 8.187 8.187 8.145 0.042 19192
5 1 . 1 1 3 3 LEU HA H 3 4.293 4.293 4.131 0.162 19192
6 1 . 1 1 3 3 LEU CA C 3 56.300 56.300 54.777 1.523 19192
7 1 . 1 1 3 3 LEU CB C 3 42.470 42.470 42.420 0.050 19192
8 1 . 1 1 3 3 LEU H H 3 8.058 8.058 7.805 0.254 19192
9 1 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.504 -0.229 19192
10 1 . 1 1 4 4 LYS CA C 4 57.000 57.000 56.541 0.459 19192
11 1 . 1 1 4 4 LYS CB C 4 32.750 32.750 32.854 -0.104 19192
12 1 . 1 1 4 4 LYS H H 4 8.175 8.175 8.100 0.075 19192
13 1 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.377 -0.092 19192
14 1 . 1 1 5 5 LYS CA C 5 56.200 56.200 57.156 -0.956 19192
15 1 . 1 1 5 5 LYS CB C 5 33.040 33.040 33.676 -0.636 19192
16 1 . 1 1 5 5 LYS H H 5 8.173 8.173 8.558 -0.385 19192
17 1 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.434 -0.323 19192
18 1 . 1 1 6 6 ARG CA C 6 56.850 56.850 56.272 0.578 19192
19 1 . 1 1 6 6 ARG CB C 6 30.000 30.000 30.382 -0.382 19192
20 1 . 1 1 6 6 ARG H H 6 8.140 8.140 8.401 -0.261 19192
21 1 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.034 0.132 19192
22 1 . 1 1 7 7 ARG CA C 7 56.670 56.670 57.252 -0.582 19192
23 1 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.650 0.350 19192
24 1 . 1 1 7 7 ARG H H 7 8.191 8.191 8.491 -0.300 19192
25 1 . 1 1 8 8 TRP CA C 8 56.840 56.840 56.895 -0.055 19192
26 1 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.487 0.703 19192
27 1 . 1 1 8 8 TRP H H 8 7.917 7.917 7.862 0.055 19192
28 1 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.472 -0.012 19192
29 1 . 1 1 9 9 LYS CA C 9 56.770 56.770 56.339 0.431 19192
30 1 . 1 1 9 9 LYS CB C 9 33.800 33.800 33.330 0.470 19192
31 1 . 1 1 9 9 LYS H H 9 8.291 8.291 8.511 -0.220 19192
32 1 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.318 -0.033 19192
33 1 . 1 1 10 10 LYS CA C 10 56.200 56.200 56.699 -0.499 19192
34 1 . 1 1 10 10 LYS CB C 10 34.010 34.010 32.973 1.036 19192
35 1 . 1 1 10 10 LYS H H 10 8.059 8.059 8.272 -0.213 19192
36 1 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.151 -0.036 19192
37 1 . 1 1 11 11 ALA CA C 11 52.520 52.520 52.492 0.028 19192
38 1 . 1 1 11 11 ALA CB C 11 19.750 19.750 19.011 0.739 19192
39 1 . 1 1 11 11 ALA H H 11 8.169 8.169 8.065 0.104 19192
stop_
save_