data_19882
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19882
_Entry.PDB_ID 2MN8
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 19882
_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 LEU HA H 2 4.032 4.032 4.371 -0.339 19882
2 1 1 . 1 1 2 2 LEU CA C 2 57.749 57.749 55.978 1.771 19882
3 1 1 . 1 1 2 2 LEU CB C 2 42.564 42.564 42.521 0.043 19882
4 1 1 . 1 1 3 3 PHE HA H 3 4.342 4.342 4.294 0.048 19882
5 1 1 . 1 1 3 3 PHE CA C 3 60.583 60.583 60.927 -0.344 19882
6 1 1 . 1 1 3 3 PHE CB C 3 38.215 38.215 38.423 -0.208 19882
7 1 1 . 1 1 3 3 PHE H H 3 8.152 8.152 8.290 -0.138 19882
8 1 1 . 1 1 4 4 GLY CA C 4 46.743 46.743 46.837 -0.094 19882
9 1 1 . 1 1 4 4 GLY H H 4 8.056 8.056 8.786 -0.730 19882
10 1 1 . 1 1 5 5 VAL HA H 5 3.802 3.802 3.829 -0.027 19882
11 1 1 . 1 1 5 5 VAL CA C 5 65.719 65.719 64.428 1.291 19882
12 1 1 . 1 1 5 5 VAL CB C 5 32.054 32.054 31.344 0.710 19882
13 1 1 . 1 1 5 5 VAL H H 5 7.756 7.756 7.219 0.537 19882
14 1 1 . 1 1 6 6 LEU HA H 6 4.018 4.018 3.900 0.118 19882
15 1 1 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.653 -3.000 19882
16 1 1 . 1 1 6 6 LEU CB C 6 41.250 41.250 41.356 -0.106 19882
17 1 1 . 1 1 6 6 LEU H H 6 8.001 8.001 7.510 0.491 19882
18 1 1 . 1 1 7 7 ALA HA H 7 4.036 4.036 4.097 -0.061 19882
19 1 1 . 1 1 7 7 ALA CA C 7 54.677 54.677 54.909 -0.232 19882
20 1 1 . 1 1 7 7 ALA CB C 7 18.396 18.396 18.159 0.237 19882
21 1 1 . 1 1 7 7 ALA H H 7 7.969 7.969 7.659 0.310 19882
22 1 1 . 1 1 8 8 LYS HA H 8 4.163 4.163 4.069 0.094 19882
23 1 1 . 1 1 8 8 LYS CA C 8 58.487 58.487 58.854 -0.367 19882
24 1 1 . 1 1 8 8 LYS CB C 8 32.853 32.853 31.966 0.887 19882
25 1 1 . 1 1 8 8 LYS H H 8 7.539 7.539 7.416 0.123 19882
26 1 1 . 1 1 9 9 VAL HA H 9 3.941 3.941 3.809 0.132 19882
27 1 1 . 1 1 9 9 VAL CA C 9 64.272 64.272 65.730 -1.458 19882
28 1 1 . 1 1 9 9 VAL CB C 9 32.154 32.154 31.632 0.522 19882
29 1 1 . 1 1 9 9 VAL H H 9 7.775 7.775 7.535 0.240 19882
30 1 1 . 1 1 10 10 ALA HA H 10 4.187 4.187 4.120 0.067 19882
31 1 1 . 1 1 10 10 ALA CA C 10 53.261 53.261 54.557 -1.296 19882
32 1 1 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.542 0.450 19882
33 1 1 . 1 1 10 10 ALA H H 10 8.024 8.024 7.521 0.502 19882
34 1 1 . 1 1 11 11 ALA HA H 11 4.210 4.210 4.263 -0.053 19882
35 1 1 . 1 1 11 11 ALA CA C 11 53.176 53.176 53.685 -0.509 19882
36 1 1 . 1 1 11 11 ALA CB C 11 19.058 19.058 19.506 -0.448 19882
37 1 1 . 1 1 11 11 ALA H H 11 7.574 7.574 7.556 0.018 19882
38 1 1 . 1 1 15 15 GLY CA C 15 43.727 43.727 47.166 -3.438 19882
39 1 1 . 1 1 15 15 GLY H H 15 8.644 8.644 7.889 0.755 19882
40 1 1 . 1 1 16 16 ALA HA H 16 4.265 4.265 4.129 0.136 19882
41 1 1 . 1 1 16 16 ALA CA C 16 52.234 52.234 54.618 -2.384 19882
42 1 1 . 1 1 16 16 ALA CB C 16 19.026 19.026 18.653 0.373 19882
43 1 1 . 1 1 16 16 ALA H H 16 7.924 7.924 7.529 0.395 19882
44 1 1 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.806 0.026 19882
45 1 1 . 1 1 17 17 ILE CA C 17 64.799 64.799 64.393 0.406 19882
46 1 1 . 1 1 17 17 ILE CB C 17 37.547 37.547 37.528 0.019 19882
47 1 1 . 1 1 17 17 ILE H H 17 7.929 7.929 7.950 -0.021 19882
48 1 1 . 1 1 18 18 ALA HA H 18 4.092 4.092 4.147 -0.055 19882
49 1 1 . 1 1 18 18 ALA CA C 18 55.128 55.128 54.857 0.271 19882
50 1 1 . 1 1 18 18 ALA CB C 18 18.343 18.343 18.079 0.264 19882
51 1 1 . 1 1 18 18 ALA H H 18 8.144 8.144 7.651 0.493 19882
52 1 1 . 1 1 19 19 GLU HA H 19 4.052 4.052 4.039 0.013 19882
53 1 1 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.361 0.005 19882
54 1 1 . 1 1 19 19 GLU CB C 19 29.649 29.649 29.820 -0.171 19882
55 1 1 . 1 1 19 19 GLU H H 19 7.867 7.867 8.047 -0.180 19882
56 1 1 . 1 1 20 20 HIS HA H 20 4.287 4.287 4.459 -0.172 19882
57 1 1 . 1 1 20 20 HIS CA C 20 57.863 57.863 57.701 0.162 19882
58 1 1 . 1 1 20 20 HIS CB C 20 28.931 28.931 31.088 -2.158 19882
59 1 1 . 1 1 20 20 HIS H H 20 7.815 7.815 7.523 0.292 19882
60 1 2 . 1 1 2 2 LEU HA H 2 4.032 4.032 4.217 -0.185 19882
61 1 2 . 1 1 2 2 LEU CA C 2 57.749 57.749 56.878 0.871 19882
62 1 2 . 1 1 2 2 LEU CB C 2 42.564 42.564 42.070 0.494 19882
63 1 2 . 1 1 3 3 PHE HA H 3 4.342 4.342 4.242 0.100 19882
64 1 2 . 1 1 3 3 PHE CA C 3 60.583 60.583 61.458 -0.875 19882
65 1 2 . 1 1 3 3 PHE CB C 3 38.215 38.215 38.622 -0.407 19882
66 1 2 . 1 1 3 3 PHE H H 3 8.152 8.152 8.389 -0.237 19882
67 1 2 . 1 1 4 4 GLY CA C 4 46.743 46.743 46.936 -0.193 19882
68 1 2 . 1 1 4 4 GLY H H 4 8.056 8.056 7.933 0.123 19882
69 1 2 . 1 1 5 5 VAL HA H 5 3.802 3.802 3.803 -0.001 19882
70 1 2 . 1 1 5 5 VAL CA C 5 65.719 65.719 64.538 1.181 19882
71 1 2 . 1 1 5 5 VAL CB C 5 32.054 32.054 31.848 0.206 19882
72 1 2 . 1 1 5 5 VAL H H 5 7.756 7.756 7.372 0.384 19882
73 1 2 . 1 1 6 6 LEU HA H 6 4.018 4.018 3.992 0.026 19882
74 1 2 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.341 -2.688 19882
75 1 2 . 1 1 6 6 LEU CB C 6 41.250 41.250 41.703 -0.453 19882
76 1 2 . 1 1 6 6 LEU H H 6 8.001 8.001 7.427 0.574 19882
77 1 2 . 1 1 7 7 ALA HA H 7 4.036 4.036 4.245 -0.209 19882
78 1 2 . 1 1 7 7 ALA CA C 7 54.677 54.677 53.846 0.831 19882
79 1 2 . 1 1 7 7 ALA CB C 7 18.396 18.396 18.833 -0.437 19882
80 1 2 . 1 1 7 7 ALA H H 7 7.969 7.969 7.507 0.462 19882
81 1 2 . 1 1 8 8 LYS HA H 8 4.163 4.163 4.055 0.108 19882
82 1 2 . 1 1 8 8 LYS CA C 8 58.487 58.487 59.235 -0.748 19882
83 1 2 . 1 1 8 8 LYS CB C 8 32.853 32.853 32.361 0.492 19882
84 1 2 . 1 1 8 8 LYS H H 8 7.539 7.539 7.592 -0.053 19882
85 1 2 . 1 1 9 9 VAL HA H 9 3.941 3.941 3.781 0.160 19882
86 1 2 . 1 1 9 9 VAL CA C 9 64.272 64.272 65.272 -1.000 19882
87 1 2 . 1 1 9 9 VAL CB C 9 32.154 32.154 31.653 0.501 19882
88 1 2 . 1 1 9 9 VAL H H 9 7.775 7.775 7.572 0.203 19882
89 1 2 . 1 1 10 10 ALA HA H 10 4.187 4.187 4.211 -0.024 19882
90 1 2 . 1 1 10 10 ALA CA C 10 53.261 53.261 54.269 -1.008 19882
91 1 2 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.690 0.302 19882
92 1 2 . 1 1 10 10 ALA H H 10 8.024 8.024 7.559 0.465 19882
93 1 2 . 1 1 11 11 ALA HA H 11 4.210 4.210 4.207 0.003 19882
94 1 2 . 1 1 11 11 ALA CA C 11 53.176 53.176 53.658 -0.482 19882
95 1 2 . 1 1 11 11 ALA CB C 11 19.058 19.058 19.610 -0.552 19882
96 1 2 . 1 1 11 11 ALA H H 11 7.574 7.574 7.788 -0.214 19882
97 1 2 . 1 1 15 15 GLY CA C 15 43.727 43.727 47.502 -3.775 19882
98 1 2 . 1 1 15 15 GLY H H 15 8.644 8.644 8.516 0.128 19882
99 1 2 . 1 1 16 16 ALA HA H 16 4.265 4.265 3.825 0.440 19882
100 1 2 . 1 1 16 16 ALA CA C 16 52.234 52.234 55.047 -2.813 19882
101 1 2 . 1 1 16 16 ALA CB C 16 19.026 19.026 18.209 0.817 19882
102 1 2 . 1 1 16 16 ALA H H 16 7.924 7.924 8.141 -0.217 19882
103 1 2 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.842 -0.010 19882
104 1 2 . 1 1 17 17 ILE CA C 17 64.799 64.799 64.482 0.317 19882
105 1 2 . 1 1 17 17 ILE CB C 17 37.547 37.547 37.549 -0.002 19882
106 1 2 . 1 1 17 17 ILE H H 17 7.929 7.929 7.792 0.137 19882
107 1 2 . 1 1 18 18 ALA HA H 18 4.092 4.092 4.023 0.069 19882
108 1 2 . 1 1 18 18 ALA CA C 18 55.128 55.128 54.949 0.179 19882
109 1 2 . 1 1 18 18 ALA CB C 18 18.343 18.343 18.039 0.304 19882
110 1 2 . 1 1 18 18 ALA H H 18 8.144 8.144 7.866 0.278 19882
111 1 2 . 1 1 19 19 GLU HA H 19 4.052 4.052 4.024 0.028 19882
112 1 2 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.348 0.018 19882
113 1 2 . 1 1 19 19 GLU CB C 19 29.649 29.649 29.805 -0.156 19882
114 1 2 . 1 1 19 19 GLU H H 19 7.867 7.867 8.196 -0.329 19882
115 1 2 . 1 1 20 20 HIS HA H 20 4.287 4.287 4.507 -0.220 19882
116 1 2 . 1 1 20 20 HIS CA C 20 57.863 57.863 56.835 1.028 19882
117 1 2 . 1 1 20 20 HIS CB C 20 28.931 28.931 30.245 -1.314 19882
118 1 2 . 1 1 20 20 HIS H H 20 7.815 7.815 7.250 0.565 19882
119 1 3 . 1 1 2 2 LEU HA H 2 4.032 4.032 4.499 -0.467 19882
120 1 3 . 1 1 2 2 LEU CA C 2 57.749 57.749 55.931 1.818 19882
121 1 3 . 1 1 2 2 LEU CB C 2 42.564 42.564 42.413 0.151 19882
122 1 3 . 1 1 3 3 PHE HA H 3 4.342 4.342 4.284 0.058 19882
123 1 3 . 1 1 3 3 PHE CA C 3 60.583 60.583 60.916 -0.333 19882
124 1 3 . 1 1 3 3 PHE CB C 3 38.215 38.215 38.184 0.031 19882
125 1 3 . 1 1 3 3 PHE H H 3 8.152 8.152 8.338 -0.186 19882
126 1 3 . 1 1 4 4 GLY CA C 4 46.743 46.743 46.990 -0.248 19882
127 1 3 . 1 1 4 4 GLY H H 4 8.056 8.056 8.944 -0.888 19882
128 1 3 . 1 1 5 5 VAL HA H 5 3.802 3.802 3.627 0.175 19882
129 1 3 . 1 1 5 5 VAL CA C 5 65.719 65.719 65.050 0.669 19882
130 1 3 . 1 1 5 5 VAL CB C 5 32.054 32.054 31.747 0.307 19882
131 1 3 . 1 1 5 5 VAL H H 5 7.756 7.756 7.374 0.382 19882
132 1 3 . 1 1 6 6 LEU HA H 6 4.018 4.018 3.991 0.027 19882
133 1 3 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.342 -2.689 19882
134 1 3 . 1 1 6 6 LEU CB C 6 41.250 41.250 41.744 -0.494 19882
135 1 3 . 1 1 6 6 LEU H H 6 8.001 8.001 7.590 0.411 19882
136 1 3 . 1 1 7 7 ALA HA H 7 4.036 4.036 4.203 -0.167 19882
137 1 3 . 1 1 7 7 ALA CA C 7 54.677 54.677 54.162 0.515 19882
138 1 3 . 1 1 7 7 ALA CB C 7 18.396 18.396 18.634 -0.238 19882
139 1 3 . 1 1 7 7 ALA H H 7 7.969 7.969 7.399 0.570 19882
140 1 3 . 1 1 8 8 LYS HA H 8 4.163 4.163 4.075 0.088 19882
141 1 3 . 1 1 8 8 LYS CA C 8 58.487 58.487 58.684 -0.196 19882
142 1 3 . 1 1 8 8 LYS CB C 8 32.853 32.853 32.152 0.701 19882
143 1 3 . 1 1 8 8 LYS H H 8 7.539 7.539 7.877 -0.338 19882
144 1 3 . 1 1 9 9 VAL HA H 9 3.941 3.941 3.868 0.073 19882
145 1 3 . 1 1 9 9 VAL CA C 9 64.272 64.272 65.282 -1.010 19882
146 1 3 . 1 1 9 9 VAL CB C 9 32.154 32.154 31.483 0.671 19882
147 1 3 . 1 1 9 9 VAL H H 9 7.775 7.775 7.575 0.200 19882
148 1 3 . 1 1 10 10 ALA HA H 10 4.187 4.187 4.142 0.045 19882
149 1 3 . 1 1 10 10 ALA CA C 10 53.261 53.261 54.573 -1.312 19882
150 1 3 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.682 0.310 19882
151 1 3 . 1 1 10 10 ALA H H 10 8.024 8.024 7.667 0.357 19882
152 1 3 . 1 1 11 11 ALA HA H 11 4.210 4.210 4.375 -0.165 19882
153 1 3 . 1 1 11 11 ALA CA C 11 53.176 53.176 53.238 -0.062 19882
154 1 3 . 1 1 11 11 ALA CB C 11 19.058 19.058 19.428 -0.370 19882
155 1 3 . 1 1 11 11 ALA H H 11 7.574 7.574 7.322 0.252 19882
156 1 3 . 1 1 15 15 GLY CA C 15 43.727 43.727 46.062 -2.335 19882
157 1 3 . 1 1 15 15 GLY H H 15 8.644 8.644 8.484 0.160 19882
158 1 3 . 1 1 16 16 ALA HA H 16 4.265 4.265 4.006 0.259 19882
159 1 3 . 1 1 16 16 ALA CA C 16 52.234 52.234 54.427 -2.193 19882
160 1 3 . 1 1 16 16 ALA CB C 16 19.026 19.026 18.601 0.425 19882
161 1 3 . 1 1 16 16 ALA H H 16 7.924 7.924 8.442 -0.518 19882
162 1 3 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.653 0.179 19882
163 1 3 . 1 1 17 17 ILE CA C 17 64.799 64.799 63.471 1.327 19882
164 1 3 . 1 1 17 17 ILE CB C 17 37.547 37.547 36.724 0.823 19882
165 1 3 . 1 1 17 17 ILE H H 17 7.929 7.929 8.107 -0.178 19882
166 1 3 . 1 1 18 18 ALA HA H 18 4.092 4.092 4.201 -0.109 19882
167 1 3 . 1 1 18 18 ALA CA C 18 55.128 55.128 54.458 0.670 19882
168 1 3 . 1 1 18 18 ALA CB C 18 18.343 18.343 18.626 -0.283 19882
169 1 3 . 1 1 18 18 ALA H H 18 8.144 8.144 7.964 0.180 19882
170 1 3 . 1 1 19 19 GLU HA H 19 4.052 4.052 4.011 0.041 19882
171 1 3 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.379 -0.013 19882
172 1 3 . 1 1 19 19 GLU CB C 19 29.649 29.649 29.944 -0.294 19882
173 1 3 . 1 1 19 19 GLU H H 19 7.867 7.867 8.032 -0.165 19882
174 1 3 . 1 1 20 20 HIS HA H 20 4.287 4.287 4.375 -0.088 19882
175 1 3 . 1 1 20 20 HIS CA C 20 57.863 57.863 57.856 0.007 19882
176 1 3 . 1 1 20 20 HIS CB C 20 28.931 28.931 31.244 -2.313 19882
177 1 3 . 1 1 20 20 HIS H H 20 7.815 7.815 7.600 0.215 19882
178 1 4 . 1 1 2 2 LEU HA H 2 4.032 4.032 4.225 -0.193 19882
179 1 4 . 1 1 2 2 LEU CA C 2 57.749 57.749 56.999 0.750 19882
180 1 4 . 1 1 2 2 LEU CB C 2 42.564 42.564 41.622 0.942 19882
181 1 4 . 1 1 3 3 PHE HA H 3 4.342 4.342 4.243 0.099 19882
182 1 4 . 1 1 3 3 PHE CA C 3 60.583 60.583 60.983 -0.400 19882
183 1 4 . 1 1 3 3 PHE CB C 3 38.215 38.215 38.296 -0.081 19882
184 1 4 . 1 1 3 3 PHE H H 3 8.152 8.152 8.627 -0.475 19882
185 1 4 . 1 1 4 4 GLY CA C 4 46.743 46.743 46.677 0.066 19882
186 1 4 . 1 1 4 4 GLY H H 4 8.056 8.056 7.845 0.211 19882
187 1 4 . 1 1 5 5 VAL HA H 5 3.802 3.802 3.772 0.030 19882
188 1 4 . 1 1 5 5 VAL CA C 5 65.719 65.719 65.056 0.663 19882
189 1 4 . 1 1 5 5 VAL CB C 5 32.054 32.054 31.975 0.079 19882
190 1 4 . 1 1 5 5 VAL H H 5 7.756 7.756 7.440 0.316 19882
191 1 4 . 1 1 6 6 LEU HA H 6 4.018 4.018 3.961 0.057 19882
192 1 4 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.346 -2.693 19882
193 1 4 . 1 1 6 6 LEU CB C 6 41.250 41.250 41.829 -0.579 19882
194 1 4 . 1 1 6 6 LEU H H 6 8.001 8.001 8.229 -0.228 19882
195 1 4 . 1 1 7 7 ALA HA H 7 4.036 4.036 3.860 0.176 19882
196 1 4 . 1 1 7 7 ALA CA C 7 54.677 54.677 54.940 -0.263 19882
197 1 4 . 1 1 7 7 ALA CB C 7 18.396 18.396 17.968 0.428 19882
198 1 4 . 1 1 7 7 ALA H H 7 7.969 7.969 7.704 0.265 19882
199 1 4 . 1 1 8 8 LYS HA H 8 4.163 4.163 4.040 0.123 19882
200 1 4 . 1 1 8 8 LYS CA C 8 58.487 58.487 59.262 -0.775 19882
201 1 4 . 1 1 8 8 LYS CB C 8 32.853 32.853 32.384 0.469 19882
202 1 4 . 1 1 8 8 LYS H H 8 7.539 7.539 7.476 0.063 19882
203 1 4 . 1 1 9 9 VAL HA H 9 3.941 3.941 3.830 0.111 19882
204 1 4 . 1 1 9 9 VAL CA C 9 64.272 64.272 65.178 -0.906 19882
205 1 4 . 1 1 9 9 VAL CB C 9 32.154 32.154 30.910 1.244 19882
206 1 4 . 1 1 9 9 VAL H H 9 7.775 7.775 7.432 0.343 19882
207 1 4 . 1 1 10 10 ALA HA H 10 4.187 4.187 4.097 0.090 19882
208 1 4 . 1 1 10 10 ALA CA C 10 53.261 53.261 54.873 -1.612 19882
209 1 4 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.527 0.465 19882
210 1 4 . 1 1 10 10 ALA H H 10 8.024 8.024 7.485 0.539 19882
211 1 4 . 1 1 11 11 ALA HA H 11 4.210 4.210 4.202 0.008 19882
212 1 4 . 1 1 11 11 ALA CA C 11 53.176 53.176 52.979 0.197 19882
213 1 4 . 1 1 11 11 ALA CB C 11 19.058 19.058 19.124 -0.066 19882
214 1 4 . 1 1 11 11 ALA H H 11 7.574 7.574 7.521 0.053 19882
215 1 4 . 1 1 15 15 GLY CA C 15 43.727 43.727 46.742 -3.015 19882
216 1 4 . 1 1 15 15 GLY H H 15 8.644 8.644 8.523 0.121 19882
217 1 4 . 1 1 16 16 ALA HA H 16 4.265 4.265 3.968 0.297 19882
218 1 4 . 1 1 16 16 ALA CA C 16 52.234 52.234 54.914 -2.680 19882
219 1 4 . 1 1 16 16 ALA CB C 16 19.026 19.026 18.555 0.471 19882
220 1 4 . 1 1 16 16 ALA H H 16 7.924 7.924 8.104 -0.180 19882
221 1 4 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.803 0.029 19882
222 1 4 . 1 1 17 17 ILE CA C 17 64.799 64.799 64.473 0.326 19882
223 1 4 . 1 1 17 17 ILE CB C 17 37.547 37.547 37.617 -0.070 19882
224 1 4 . 1 1 17 17 ILE H H 17 7.929 7.929 7.885 0.044 19882
225 1 4 . 1 1 18 18 ALA HA H 18 4.092 4.092 4.098 -0.006 19882
226 1 4 . 1 1 18 18 ALA CA C 18 55.128 55.128 55.035 0.093 19882
227 1 4 . 1 1 18 18 ALA CB C 18 18.343 18.343 17.989 0.354 19882
228 1 4 . 1 1 18 18 ALA H H 18 8.144 8.144 7.979 0.165 19882
229 1 4 . 1 1 19 19 GLU HA H 19 4.052 4.052 4.093 -0.041 19882
230 1 4 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.596 -0.230 19882
231 1 4 . 1 1 19 19 GLU CB C 19 29.649 29.649 29.976 -0.327 19882
232 1 4 . 1 1 19 19 GLU H H 19 7.867 7.867 8.218 -0.351 19882
233 1 4 . 1 1 20 20 HIS HA H 20 4.287 4.287 4.502 -0.215 19882
234 1 4 . 1 1 20 20 HIS CA C 20 57.863 57.863 56.810 1.053 19882
235 1 4 . 1 1 20 20 HIS CB C 20 28.931 28.931 30.415 -1.484 19882
236 1 4 . 1 1 20 20 HIS H H 20 7.815 7.815 7.377 0.438 19882
237 1 5 . 1 1 2 2 LEU HA H 2 4.032 4.032 4.350 -0.318 19882
238 1 5 . 1 1 2 2 LEU CA C 2 57.749 57.749 57.427 0.322 19882
239 1 5 . 1 1 2 2 LEU CB C 2 42.564 42.564 41.817 0.747 19882
240 1 5 . 1 1 3 3 PHE HA H 3 4.342 4.342 4.677 -0.335 19882
241 1 5 . 1 1 3 3 PHE CA C 3 60.583 60.583 59.367 1.216 19882
242 1 5 . 1 1 3 3 PHE CB C 3 38.215 38.215 39.294 -1.079 19882
243 1 5 . 1 1 3 3 PHE H H 3 8.152 8.152 8.129 0.023 19882
244 1 5 . 1 1 4 4 GLY CA C 4 46.743 46.743 46.062 0.681 19882
245 1 5 . 1 1 4 4 GLY H H 4 8.056 8.056 7.572 0.484 19882
246 1 5 . 1 1 5 5 VAL HA H 5 3.802 3.802 3.782 0.020 19882
247 1 5 . 1 1 5 5 VAL CA C 5 65.719 65.719 65.014 0.705 19882
248 1 5 . 1 1 5 5 VAL CB C 5 32.054 32.054 31.933 0.121 19882
249 1 5 . 1 1 5 5 VAL H H 5 7.756 7.756 8.229 -0.473 19882
250 1 5 . 1 1 6 6 LEU HA H 6 4.018 4.018 4.098 -0.080 19882
251 1 5 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.022 -2.369 19882
252 1 5 . 1 1 6 6 LEU CB C 6 41.250 41.250 41.854 -0.604 19882
253 1 5 . 1 1 6 6 LEU H H 6 8.001 8.001 7.510 0.491 19882
254 1 5 . 1 1 7 7 ALA HA H 7 4.036 4.036 4.023 0.013 19882
255 1 5 . 1 1 7 7 ALA CA C 7 54.677 54.677 54.528 0.149 19882
256 1 5 . 1 1 7 7 ALA CB C 7 18.396 18.396 18.092 0.304 19882
257 1 5 . 1 1 7 7 ALA H H 7 7.969 7.969 7.555 0.414 19882
258 1 5 . 1 1 8 8 LYS HA H 8 4.163 4.163 4.030 0.133 19882
259 1 5 . 1 1 8 8 LYS CA C 8 58.487 58.487 59.038 -0.551 19882
260 1 5 . 1 1 8 8 LYS CB C 8 32.853 32.853 32.099 0.754 19882
261 1 5 . 1 1 8 8 LYS H H 8 7.539 7.539 7.479 0.060 19882
262 1 5 . 1 1 9 9 VAL HA H 9 3.941 3.941 3.839 0.102 19882
263 1 5 . 1 1 9 9 VAL CA C 9 64.272 64.272 65.823 -1.551 19882
264 1 5 . 1 1 9 9 VAL CB C 9 32.154 32.154 31.009 1.145 19882
265 1 5 . 1 1 9 9 VAL H H 9 7.775 7.775 7.546 0.229 19882
266 1 5 . 1 1 10 10 ALA HA H 10 4.187 4.187 4.111 0.076 19882
267 1 5 . 1 1 10 10 ALA CA C 10 53.261 53.261 54.774 -1.513 19882
268 1 5 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.402 0.590 19882
269 1 5 . 1 1 10 10 ALA H H 10 8.024 8.024 7.574 0.450 19882
270 1 5 . 1 1 11 11 ALA HA H 11 4.210 4.210 4.460 -0.250 19882
271 1 5 . 1 1 11 11 ALA CA C 11 53.176 53.176 51.664 1.512 19882
272 1 5 . 1 1 11 11 ALA CB C 11 19.058 19.058 19.348 -0.289 19882
273 1 5 . 1 1 11 11 ALA H H 11 7.574 7.574 7.539 0.035 19882
274 1 5 . 1 1 15 15 GLY CA C 15 43.727 43.727 46.612 -2.885 19882
275 1 5 . 1 1 15 15 GLY H H 15 8.644 8.644 8.382 0.262 19882
276 1 5 . 1 1 16 16 ALA HA H 16 4.265 4.265 3.823 0.442 19882
277 1 5 . 1 1 16 16 ALA CA C 16 52.234 52.234 54.807 -2.573 19882
278 1 5 . 1 1 16 16 ALA CB C 16 19.026 19.026 18.537 0.489 19882
279 1 5 . 1 1 16 16 ALA H H 16 7.924 7.924 8.026 -0.102 19882
280 1 5 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.830 0.002 19882
281 1 5 . 1 1 17 17 ILE CA C 17 64.799 64.799 64.786 0.013 19882
282 1 5 . 1 1 17 17 ILE CB C 17 37.547 37.547 37.574 -0.027 19882
283 1 5 . 1 1 17 17 ILE H H 17 7.929 7.929 8.197 -0.268 19882
284 1 5 . 1 1 18 18 ALA HA H 18 4.092 4.092 4.022 0.070 19882
285 1 5 . 1 1 18 18 ALA CA C 18 55.128 55.128 55.001 0.127 19882
286 1 5 . 1 1 18 18 ALA CB C 18 18.343 18.343 18.072 0.271 19882
287 1 5 . 1 1 18 18 ALA H H 18 8.144 8.144 7.945 0.199 19882
288 1 5 . 1 1 19 19 GLU HA H 19 4.052 4.052 4.044 0.008 19882
289 1 5 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.327 0.039 19882
290 1 5 . 1 1 19 19 GLU CB C 19 29.649 29.649 29.770 -0.121 19882
291 1 5 . 1 1 19 19 GLU H H 19 7.867 7.867 8.194 -0.327 19882
292 1 5 . 1 1 20 20 HIS HA H 20 4.287 4.287 4.523 -0.236 19882
293 1 5 . 1 1 20 20 HIS CA C 20 57.863 57.863 56.774 1.089 19882
294 1 5 . 1 1 20 20 HIS CB C 20 28.931 28.931 30.272 -1.341 19882
295 1 5 . 1 1 20 20 HIS H H 20 7.815 7.815 7.258 0.557 19882
296 1 6 . 1 1 2 2 LEU HA H 2 4.032 4.032 4.304 -0.272 19882
297 1 6 . 1 1 2 2 LEU CA C 2 57.749 57.749 56.480 1.269 19882
298 1 6 . 1 1 2 2 LEU CB C 2 42.564 42.564 41.846 0.718 19882
299 1 6 . 1 1 3 3 PHE HA H 3 4.342 4.342 4.227 0.115 19882
300 1 6 . 1 1 3 3 PHE CA C 3 60.583 60.583 61.054 -0.471 19882
301 1 6 . 1 1 3 3 PHE CB C 3 38.215 38.215 38.389 -0.174 19882
302 1 6 . 1 1 3 3 PHE H H 3 8.152 8.152 8.472 -0.320 19882
303 1 6 . 1 1 4 4 GLY CA C 4 46.743 46.743 46.942 -0.199 19882
304 1 6 . 1 1 4 4 GLY H H 4 8.056 8.056 7.968 0.088 19882
305 1 6 . 1 1 5 5 VAL HA H 5 3.802 3.802 3.745 0.057 19882
306 1 6 . 1 1 5 5 VAL CA C 5 65.719 65.719 65.139 0.580 19882
307 1 6 . 1 1 5 5 VAL CB C 5 32.054 32.054 31.102 0.953 19882
308 1 6 . 1 1 5 5 VAL H H 5 7.756 7.756 7.365 0.391 19882
309 1 6 . 1 1 6 6 LEU HA H 6 4.018 4.018 3.939 0.079 19882
310 1 6 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.734 -3.082 19882
311 1 6 . 1 1 6 6 LEU CB C 6 41.250 41.250 41.502 -0.252 19882
312 1 6 . 1 1 6 6 LEU H H 6 8.001 8.001 7.588 0.413 19882
313 1 6 . 1 1 7 7 ALA HA H 7 4.036 4.036 4.105 -0.069 19882
314 1 6 . 1 1 7 7 ALA CA C 7 54.677 54.677 54.292 0.385 19882
315 1 6 . 1 1 7 7 ALA CB C 7 18.396 18.396 18.400 -0.004 19882
316 1 6 . 1 1 7 7 ALA H H 7 7.969 7.969 7.418 0.551 19882
317 1 6 . 1 1 8 8 LYS HA H 8 4.163 4.163 4.035 0.128 19882
318 1 6 . 1 1 8 8 LYS CA C 8 58.487 58.487 59.300 -0.812 19882
319 1 6 . 1 1 8 8 LYS CB C 8 32.853 32.853 32.358 0.495 19882
320 1 6 . 1 1 8 8 LYS H H 8 7.539 7.539 7.526 0.013 19882
321 1 6 . 1 1 9 9 VAL HA H 9 3.941 3.941 3.804 0.137 19882
322 1 6 . 1 1 9 9 VAL CA C 9 64.272 64.272 65.469 -1.197 19882
323 1 6 . 1 1 9 9 VAL CB C 9 32.154 32.154 30.969 1.185 19882
324 1 6 . 1 1 9 9 VAL H H 9 7.775 7.775 7.582 0.193 19882
325 1 6 . 1 1 10 10 ALA HA H 10 4.187 4.187 4.351 -0.164 19882
326 1 6 . 1 1 10 10 ALA CA C 10 53.261 53.261 53.385 -0.124 19882
327 1 6 . 1 1 10 10 ALA CB C 10 18.992 18.992 19.156 -0.164 19882
328 1 6 . 1 1 10 10 ALA H H 10 8.024 8.024 7.662 0.362 19882
329 1 6 . 1 1 11 11 ALA HA H 11 4.210 4.210 4.168 0.042 19882
330 1 6 . 1 1 11 11 ALA CA C 11 53.176 53.176 53.680 -0.504 19882
331 1 6 . 1 1 11 11 ALA CB C 11 19.058 19.058 19.064 -0.006 19882
332 1 6 . 1 1 11 11 ALA H H 11 7.574 7.574 7.875 -0.301 19882
333 1 6 . 1 1 15 15 GLY CA C 15 43.727 43.727 45.994 -2.267 19882
334 1 6 . 1 1 15 15 GLY H H 15 8.644 8.644 8.497 0.147 19882
335 1 6 . 1 1 16 16 ALA HA H 16 4.265 4.265 4.190 0.075 19882
336 1 6 . 1 1 16 16 ALA CA C 16 52.234 52.234 54.503 -2.269 19882
337 1 6 . 1 1 16 16 ALA CB C 16 19.026 19.026 18.419 0.607 19882
338 1 6 . 1 1 16 16 ALA H H 16 7.924 7.924 8.154 -0.230 19882
339 1 6 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.776 0.056 19882
340 1 6 . 1 1 17 17 ILE CA C 17 64.799 64.799 63.093 1.706 19882
341 1 6 . 1 1 17 17 ILE CB C 17 37.547 37.547 36.217 1.330 19882
342 1 6 . 1 1 17 17 ILE H H 17 7.929 7.929 7.918 0.011 19882
343 1 6 . 1 1 18 18 ALA HA H 18 4.092 4.092 4.145 -0.053 19882
344 1 6 . 1 1 18 18 ALA CA C 18 55.128 55.128 55.224 -0.096 19882
345 1 6 . 1 1 18 18 ALA CB C 18 18.343 18.343 18.086 0.257 19882
346 1 6 . 1 1 18 18 ALA H H 18 8.144 8.144 7.909 0.235 19882
347 1 6 . 1 1 19 19 GLU HA H 19 4.052 4.052 4.137 -0.085 19882
348 1 6 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.619 -0.253 19882
349 1 6 . 1 1 19 19 GLU CB C 19 29.649 29.649 29.852 -0.203 19882
350 1 6 . 1 1 19 19 GLU H H 19 7.867 7.867 8.314 -0.447 19882
351 1 6 . 1 1 20 20 HIS HA H 20 4.287 4.287 4.460 -0.173 19882
352 1 6 . 1 1 20 20 HIS CA C 20 57.863 57.863 56.847 1.016 19882
353 1 6 . 1 1 20 20 HIS CB C 20 28.931 28.931 30.537 -1.606 19882
354 1 6 . 1 1 20 20 HIS H H 20 7.815 7.815 7.505 0.310 19882
355 1 7 . 1 1 2 2 LEU HA H 2 4.032 4.032 4.185 -0.153 19882
356 1 7 . 1 1 2 2 LEU CA C 2 57.749 57.749 56.534 1.215 19882
357 1 7 . 1 1 2 2 LEU CB C 2 42.564 42.564 42.408 0.156 19882
358 1 7 . 1 1 3 3 PHE HA H 3 4.342 4.342 4.178 0.164 19882
359 1 7 . 1 1 3 3 PHE CA C 3 60.583 60.583 60.769 -0.186 19882
360 1 7 . 1 1 3 3 PHE CB C 3 38.215 38.215 38.515 -0.300 19882
361 1 7 . 1 1 3 3 PHE H H 3 8.152 8.152 8.410 -0.258 19882
362 1 7 . 1 1 4 4 GLY CA C 4 46.743 46.743 47.003 -0.260 19882
363 1 7 . 1 1 4 4 GLY H H 4 8.056 8.056 8.017 0.039 19882
364 1 7 . 1 1 5 5 VAL HA H 5 3.802 3.802 3.839 -0.037 19882
365 1 7 . 1 1 5 5 VAL CA C 5 65.719 65.719 65.110 0.609 19882
366 1 7 . 1 1 5 5 VAL CB C 5 32.054 32.054 31.458 0.596 19882
367 1 7 . 1 1 5 5 VAL H H 5 7.756 7.756 7.489 0.267 19882
368 1 7 . 1 1 6 6 LEU HA H 6 4.018 4.018 4.413 -0.395 19882
369 1 7 . 1 1 6 6 LEU CA C 6 54.653 54.653 56.854 -2.201 19882
370 1 7 . 1 1 6 6 LEU CB C 6 41.250 41.250 42.251 -1.001 19882
371 1 7 . 1 1 6 6 LEU H H 6 8.001 8.001 7.238 0.763 19882
372 1 7 . 1 1 7 7 ALA HA H 7 4.036 4.036 4.008 0.028 19882
373 1 7 . 1 1 7 7 ALA CA C 7 54.677 54.677 54.579 0.098 19882
374 1 7 . 1 1 7 7 ALA CB C 7 18.396 18.396 18.191 0.205 19882
375 1 7 . 1 1 7 7 ALA H H 7 7.969 7.969 7.893 0.076 19882
376 1 7 . 1 1 8 8 LYS HA H 8 4.163 4.163 4.025 0.138 19882
377 1 7 . 1 1 8 8 LYS CA C 8 58.487 58.487 59.279 -0.792 19882
378 1 7 . 1 1 8 8 LYS CB C 8 32.853 32.853 32.370 0.483 19882
379 1 7 . 1 1 8 8 LYS H H 8 7.539 7.539 8.066 -0.527 19882
380 1 7 . 1 1 9 9 VAL HA H 9 3.941 3.941 3.808 0.133 19882
381 1 7 . 1 1 9 9 VAL CA C 9 64.272 64.272 65.214 -0.942 19882
382 1 7 . 1 1 9 9 VAL CB C 9 32.154 32.154 31.846 0.308 19882
383 1 7 . 1 1 9 9 VAL H H 9 7.775 7.775 7.422 0.353 19882
384 1 7 . 1 1 10 10 ALA HA H 10 4.187 4.187 4.314 -0.127 19882
385 1 7 . 1 1 10 10 ALA CA C 10 53.261 53.261 53.871 -0.610 19882
386 1 7 . 1 1 10 10 ALA CB C 10 18.992 18.992 19.209 -0.217 19882
387 1 7 . 1 1 10 10 ALA H H 10 8.024 8.024 7.496 0.528 19882
388 1 7 . 1 1 11 11 ALA HA H 11 4.210 4.210 4.283 -0.073 19882
389 1 7 . 1 1 11 11 ALA CA C 11 53.176 53.176 53.715 -0.539 19882
390 1 7 . 1 1 11 11 ALA CB C 11 19.058 19.058 19.584 -0.526 19882
391 1 7 . 1 1 11 11 ALA H H 11 7.574 7.574 7.865 -0.291 19882
392 1 7 . 1 1 15 15 GLY CA C 15 43.727 43.727 47.301 -3.574 19882
393 1 7 . 1 1 15 15 GLY H H 15 8.644 8.644 8.539 0.105 19882
394 1 7 . 1 1 16 16 ALA HA H 16 4.265 4.265 3.897 0.368 19882
395 1 7 . 1 1 16 16 ALA CA C 16 52.234 52.234 54.802 -2.568 19882
396 1 7 . 1 1 16 16 ALA CB C 16 19.026 19.026 18.417 0.609 19882
397 1 7 . 1 1 16 16 ALA H H 16 7.924 7.924 7.577 0.347 19882
398 1 7 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.729 0.103 19882
399 1 7 . 1 1 17 17 ILE CA C 17 64.799 64.799 64.300 0.499 19882
400 1 7 . 1 1 17 17 ILE CB C 17 37.547 37.547 37.572 -0.025 19882
401 1 7 . 1 1 17 17 ILE H H 17 7.929 7.929 7.960 -0.031 19882
402 1 7 . 1 1 18 18 ALA HA H 18 4.092 4.092 4.051 0.041 19882
403 1 7 . 1 1 18 18 ALA CA C 18 55.128 55.128 54.578 0.550 19882
404 1 7 . 1 1 18 18 ALA CB C 18 18.343 18.343 18.017 0.326 19882
405 1 7 . 1 1 18 18 ALA H H 18 8.144 8.144 7.723 0.421 19882
406 1 7 . 1 1 19 19 GLU HA H 19 4.052 4.052 4.068 -0.016 19882
407 1 7 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.389 -0.023 19882
408 1 7 . 1 1 19 19 GLU CB C 19 29.649 29.649 29.826 -0.177 19882
409 1 7 . 1 1 19 19 GLU H H 19 7.867 7.867 8.008 -0.141 19882
410 1 7 . 1 1 20 20 HIS HA H 20 4.287 4.287 4.543 -0.256 19882
411 1 7 . 1 1 20 20 HIS CA C 20 57.863 57.863 56.670 1.193 19882
412 1 7 . 1 1 20 20 HIS CB C 20 28.931 28.931 30.717 -1.786 19882
413 1 7 . 1 1 20 20 HIS H H 20 7.815 7.815 7.446 0.369 19882
414 1 8 . 1 1 2 2 LEU HA H 2 4.032 4.032 3.994 0.038 19882
415 1 8 . 1 1 2 2 LEU CA C 2 57.749 57.749 57.037 0.712 19882
416 1 8 . 1 1 2 2 LEU CB C 2 42.564 42.564 42.100 0.464 19882
417 1 8 . 1 1 3 3 PHE HA H 3 4.342 4.342 4.176 0.166 19882
418 1 8 . 1 1 3 3 PHE CA C 3 60.583 60.583 61.260 -0.677 19882
419 1 8 . 1 1 3 3 PHE CB C 3 38.215 38.215 38.609 -0.394 19882
420 1 8 . 1 1 3 3 PHE H H 3 8.152 8.152 8.513 -0.361 19882
421 1 8 . 1 1 4 4 GLY CA C 4 46.743 46.743 47.149 -0.406 19882
422 1 8 . 1 1 4 4 GLY H H 4 8.056 8.056 7.936 0.120 19882
423 1 8 . 1 1 5 5 VAL HA H 5 3.802 3.802 3.668 0.134 19882
424 1 8 . 1 1 5 5 VAL CA C 5 65.719 65.719 65.618 0.101 19882
425 1 8 . 1 1 5 5 VAL CB C 5 32.054 32.054 31.791 0.263 19882
426 1 8 . 1 1 5 5 VAL H H 5 7.756 7.756 7.118 0.638 19882
427 1 8 . 1 1 6 6 LEU HA H 6 4.018 4.018 3.819 0.199 19882
428 1 8 . 1 1 6 6 LEU CA C 6 54.653 54.653 58.076 -3.423 19882
429 1 8 . 1 1 6 6 LEU CB C 6 41.250 41.250 41.614 -0.364 19882
430 1 8 . 1 1 6 6 LEU H H 6 8.001 8.001 7.589 0.412 19882
431 1 8 . 1 1 7 7 ALA HA H 7 4.036 4.036 3.988 0.048 19882
432 1 8 . 1 1 7 7 ALA CA C 7 54.677 54.677 54.941 -0.264 19882
433 1 8 . 1 1 7 7 ALA CB C 7 18.396 18.396 18.149 0.247 19882
434 1 8 . 1 1 7 7 ALA H H 7 7.969 7.969 7.595 0.374 19882
435 1 8 . 1 1 8 8 LYS HA H 8 4.163 4.163 4.070 0.093 19882
436 1 8 . 1 1 8 8 LYS CA C 8 58.487 58.487 58.913 -0.426 19882
437 1 8 . 1 1 8 8 LYS CB C 8 32.853 32.853 32.183 0.670 19882
438 1 8 . 1 1 8 8 LYS H H 8 7.539 7.539 7.562 -0.023 19882
439 1 8 . 1 1 9 9 VAL HA H 9 3.941 3.941 3.796 0.145 19882
440 1 8 . 1 1 9 9 VAL CA C 9 64.272 64.272 66.252 -1.980 19882
441 1 8 . 1 1 9 9 VAL CB C 9 32.154 32.154 31.297 0.857 19882
442 1 8 . 1 1 9 9 VAL H H 9 7.775 7.775 7.616 0.159 19882
443 1 8 . 1 1 10 10 ALA HA H 10 4.187 4.187 4.067 0.120 19882
444 1 8 . 1 1 10 10 ALA CA C 10 53.261 53.261 54.997 -1.736 19882
445 1 8 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.493 0.499 19882
446 1 8 . 1 1 10 10 ALA H H 10 8.024 8.024 7.565 0.459 19882
447 1 8 . 1 1 11 11 ALA HA H 11 4.210 4.210 4.284 -0.074 19882
448 1 8 . 1 1 11 11 ALA CA C 11 53.176 53.176 52.559 0.617 19882
449 1 8 . 1 1 11 11 ALA CB C 11 19.058 19.058 19.035 0.023 19882
450 1 8 . 1 1 11 11 ALA H H 11 7.574 7.574 7.714 -0.140 19882
451 1 8 . 1 1 15 15 GLY CA C 15 43.727 43.727 46.834 -3.107 19882
452 1 8 . 1 1 15 15 GLY H H 15 8.644 8.644 8.472 0.172 19882
453 1 8 . 1 1 16 16 ALA HA H 16 4.265 4.265 4.002 0.263 19882
454 1 8 . 1 1 16 16 ALA CA C 16 52.234 52.234 54.893 -2.659 19882
455 1 8 . 1 1 16 16 ALA CB C 16 19.026 19.026 18.386 0.640 19882
456 1 8 . 1 1 16 16 ALA H H 16 7.924 7.924 7.958 -0.034 19882
457 1 8 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.832 0.000 19882
458 1 8 . 1 1 17 17 ILE CA C 17 64.799 64.799 64.391 0.408 19882
459 1 8 . 1 1 17 17 ILE CB C 17 37.547 37.547 37.615 -0.068 19882
460 1 8 . 1 1 17 17 ILE H H 17 7.929 7.929 7.843 0.086 19882
461 1 8 . 1 1 18 18 ALA HA H 18 4.092 4.092 4.160 -0.068 19882
462 1 8 . 1 1 18 18 ALA CA C 18 55.128 55.128 54.495 0.633 19882
463 1 8 . 1 1 18 18 ALA CB C 18 18.343 18.343 18.290 0.053 19882
464 1 8 . 1 1 18 18 ALA H H 18 8.144 8.144 7.754 0.390 19882
465 1 8 . 1 1 19 19 GLU HA H 19 4.052 4.052 4.064 -0.012 19882
466 1 8 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.405 -0.039 19882
467 1 8 . 1 1 19 19 GLU CB C 19 29.649 29.649 29.810 -0.161 19882
468 1 8 . 1 1 19 19 GLU H H 19 7.867 7.867 8.038 -0.171 19882
469 1 8 . 1 1 20 20 HIS HA H 20 4.287 4.287 4.432 -0.145 19882
470 1 8 . 1 1 20 20 HIS CA C 20 57.863 57.863 56.932 0.931 19882
471 1 8 . 1 1 20 20 HIS CB C 20 28.931 28.931 30.853 -1.922 19882
472 1 8 . 1 1 20 20 HIS H H 20 7.815 7.815 7.435 0.380 19882
473 1 9 . 1 1 2 2 LEU HA H 2 4.032 4.032 3.990 0.042 19882
474 1 9 . 1 1 2 2 LEU CA C 2 57.749 57.749 57.359 0.390 19882
475 1 9 . 1 1 2 2 LEU CB C 2 42.564 42.564 42.241 0.323 19882
476 1 9 . 1 1 3 3 PHE HA H 3 4.342 4.342 4.170 0.172 19882
477 1 9 . 1 1 3 3 PHE CA C 3 60.583 60.583 61.423 -0.840 19882
478 1 9 . 1 1 3 3 PHE CB C 3 38.215 38.215 38.523 -0.308 19882
479 1 9 . 1 1 3 3 PHE H H 3 8.152 8.152 8.584 -0.432 19882
480 1 9 . 1 1 4 4 GLY CA C 4 46.743 46.743 46.920 -0.177 19882
481 1 9 . 1 1 4 4 GLY H H 4 8.056 8.056 8.076 -0.020 19882
482 1 9 . 1 1 5 5 VAL HA H 5 3.802 3.802 3.698 0.104 19882
483 1 9 . 1 1 5 5 VAL CA C 5 65.719 65.719 65.374 0.345 19882
484 1 9 . 1 1 5 5 VAL CB C 5 32.054 32.054 31.826 0.228 19882
485 1 9 . 1 1 5 5 VAL H H 5 7.756 7.756 7.398 0.358 19882
486 1 9 . 1 1 6 6 LEU HA H 6 4.018 4.018 3.951 0.067 19882
487 1 9 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.524 -2.871 19882
488 1 9 . 1 1 6 6 LEU CB C 6 41.250 41.250 41.795 -0.545 19882
489 1 9 . 1 1 6 6 LEU H H 6 8.001 8.001 7.847 0.154 19882
490 1 9 . 1 1 7 7 ALA HA H 7 4.036 4.036 4.273 -0.237 19882
491 1 9 . 1 1 7 7 ALA CA C 7 54.677 54.677 54.020 0.657 19882
492 1 9 . 1 1 7 7 ALA CB C 7 18.396 18.396 18.800 -0.405 19882
493 1 9 . 1 1 7 7 ALA H H 7 7.969 7.969 7.593 0.376 19882
494 1 9 . 1 1 8 8 LYS HA H 8 4.163 4.163 4.062 0.101 19882
495 1 9 . 1 1 8 8 LYS CA C 8 58.487 58.487 58.977 -0.490 19882
496 1 9 . 1 1 8 8 LYS CB C 8 32.853 32.853 32.178 0.675 19882
497 1 9 . 1 1 8 8 LYS H H 8 7.539 7.539 7.491 0.048 19882
498 1 9 . 1 1 9 9 VAL HA H 9 3.941 3.941 3.930 0.011 19882
499 1 9 . 1 1 9 9 VAL CA C 9 64.272 64.272 65.419 -1.147 19882
500 1 9 . 1 1 9 9 VAL CB C 9 32.154 32.154 31.741 0.413 19882
501 1 9 . 1 1 9 9 VAL H H 9 7.775 7.775 7.428 0.347 19882
502 1 9 . 1 1 10 10 ALA HA H 10 4.187 4.187 4.162 0.025 19882
503 1 9 . 1 1 10 10 ALA CA C 10 53.261 53.261 54.456 -1.195 19882
504 1 9 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.970 0.023 19882
505 1 9 . 1 1 10 10 ALA H H 10 8.024 8.024 7.674 0.350 19882
506 1 9 . 1 1 11 11 ALA HA H 11 4.210 4.210 4.502 -0.292 19882
507 1 9 . 1 1 11 11 ALA CA C 11 53.176 53.176 52.386 0.790 19882
508 1 9 . 1 1 11 11 ALA CB C 11 19.058 19.058 19.964 -0.906 19882
509 1 9 . 1 1 11 11 ALA H H 11 7.574 7.574 7.542 0.032 19882
510 1 9 . 1 1 15 15 GLY CA C 15 43.727 43.727 47.149 -3.422 19882
511 1 9 . 1 1 15 15 GLY H H 15 8.644 8.644 8.657 -0.013 19882
512 1 9 . 1 1 16 16 ALA HA H 16 4.265 4.265 4.079 0.186 19882
513 1 9 . 1 1 16 16 ALA CA C 16 52.234 52.234 54.709 -2.474 19882
514 1 9 . 1 1 16 16 ALA CB C 16 19.026 19.026 18.419 0.607 19882
515 1 9 . 1 1 16 16 ALA H H 16 7.924 7.924 7.960 -0.036 19882
516 1 9 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.772 0.060 19882
517 1 9 . 1 1 17 17 ILE CA C 17 64.799 64.799 64.802 -0.003 19882
518 1 9 . 1 1 17 17 ILE CB C 17 37.547 37.547 37.781 -0.234 19882
519 1 9 . 1 1 17 17 ILE H H 17 7.929 7.929 7.612 0.317 19882
520 1 9 . 1 1 18 18 ALA HA H 18 4.092 4.092 4.119 -0.027 19882
521 1 9 . 1 1 18 18 ALA CA C 18 55.128 55.128 54.858 0.270 19882
522 1 9 . 1 1 18 18 ALA CB C 18 18.343 18.343 18.084 0.259 19882
523 1 9 . 1 1 18 18 ALA H H 18 8.144 8.144 8.287 -0.143 19882
524 1 9 . 1 1 19 19 GLU HA H 19 4.052 4.052 4.122 -0.070 19882
525 1 9 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.364 0.002 19882
526 1 9 . 1 1 19 19 GLU CB C 19 29.649 29.649 29.932 -0.283 19882
527 1 9 . 1 1 19 19 GLU H H 19 7.867 7.867 7.970 -0.103 19882
528 1 9 . 1 1 20 20 HIS HA H 20 4.287 4.287 4.421 -0.134 19882
529 1 9 . 1 1 20 20 HIS CA C 20 57.863 57.863 57.463 0.400 19882
530 1 9 . 1 1 20 20 HIS CB C 20 28.931 28.931 30.728 -1.797 19882
531 1 9 . 1 1 20 20 HIS H H 20 7.815 7.815 7.590 0.225 19882
532 1 10 . 1 1 2 2 LEU HA H 2 4.032 4.032 4.184 -0.152 19882
533 1 10 . 1 1 2 2 LEU CA C 2 57.749 57.749 56.952 0.797 19882
534 1 10 . 1 1 2 2 LEU CB C 2 42.564 42.564 42.057 0.506 19882
535 1 10 . 1 1 3 3 PHE HA H 3 4.342 4.342 4.590 -0.248 19882
536 1 10 . 1 1 3 3 PHE CA C 3 60.583 60.583 59.162 1.421 19882
537 1 10 . 1 1 3 3 PHE CB C 3 38.215 38.215 39.252 -1.037 19882
538 1 10 . 1 1 3 3 PHE H H 3 8.152 8.152 8.108 0.044 19882
539 1 10 . 1 1 4 4 GLY CA C 4 46.743 46.743 45.672 1.071 19882
540 1 10 . 1 1 4 4 GLY H H 4 8.056 8.056 7.552 0.504 19882
541 1 10 . 1 1 5 5 VAL HA H 5 3.802 3.802 3.820 -0.018 19882
542 1 10 . 1 1 5 5 VAL CA C 5 65.719 65.719 64.265 1.454 19882
543 1 10 . 1 1 5 5 VAL CB C 5 32.054 32.054 31.967 0.087 19882
544 1 10 . 1 1 5 5 VAL H H 5 7.756 7.756 8.108 -0.352 19882
545 1 10 . 1 1 6 6 LEU HA H 6 4.018 4.018 4.023 -0.005 19882
546 1 10 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.002 -2.349 19882
547 1 10 . 1 1 6 6 LEU CB C 6 41.250 41.250 41.791 -0.541 19882
548 1 10 . 1 1 6 6 LEU H H 6 8.001 8.001 7.636 0.365 19882
549 1 10 . 1 1 7 7 ALA HA H 7 4.036 4.036 4.201 -0.165 19882
550 1 10 . 1 1 7 7 ALA CA C 7 54.677 54.677 53.834 0.842 19882
551 1 10 . 1 1 7 7 ALA CB C 7 18.396 18.396 18.446 -0.050 19882
552 1 10 . 1 1 7 7 ALA H H 7 7.969 7.969 7.629 0.340 19882
553 1 10 . 1 1 8 8 LYS HA H 8 4.163 4.163 4.071 0.092 19882
554 1 10 . 1 1 8 8 LYS CA C 8 58.487 58.487 58.635 -0.148 19882
555 1 10 . 1 1 8 8 LYS CB C 8 32.853 32.853 32.079 0.774 19882
556 1 10 . 1 1 8 8 LYS H H 8 7.539 7.539 7.621 -0.082 19882
557 1 10 . 1 1 9 9 VAL HA H 9 3.941 3.941 3.790 0.151 19882
558 1 10 . 1 1 9 9 VAL CA C 9 64.272 64.272 65.136 -0.864 19882
559 1 10 . 1 1 9 9 VAL CB C 9 32.154 32.154 31.415 0.739 19882
560 1 10 . 1 1 9 9 VAL H H 9 7.775 7.775 7.653 0.122 19882
561 1 10 . 1 1 10 10 ALA HA H 10 4.187 4.187 4.258 -0.071 19882
562 1 10 . 1 1 10 10 ALA CA C 10 53.261 53.261 54.031 -0.770 19882
563 1 10 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.769 0.223 19882
564 1 10 . 1 1 10 10 ALA H H 10 8.024 8.024 7.634 0.390 19882
565 1 10 . 1 1 11 11 ALA HA H 11 4.210 4.210 4.281 -0.071 19882
566 1 10 . 1 1 11 11 ALA CA C 11 53.176 53.176 53.775 -0.599 19882
567 1 10 . 1 1 11 11 ALA CB C 11 19.058 19.058 19.682 -0.624 19882
568 1 10 . 1 1 11 11 ALA H H 11 7.574 7.574 7.522 0.052 19882
569 1 10 . 1 1 15 15 GLY CA C 15 43.727 43.727 47.290 -3.563 19882
570 1 10 . 1 1 15 15 GLY H H 15 8.644 8.644 7.771 0.873 19882
571 1 10 . 1 1 16 16 ALA HA H 16 4.265 4.265 3.901 0.364 19882
572 1 10 . 1 1 16 16 ALA CA C 16 52.234 52.234 55.169 -2.935 19882
573 1 10 . 1 1 16 16 ALA CB C 16 19.026 19.026 17.858 1.168 19882
574 1 10 . 1 1 16 16 ALA H H 16 7.924 7.924 7.435 0.489 19882
575 1 10 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.810 0.022 19882
576 1 10 . 1 1 17 17 ILE CA C 17 64.799 64.799 64.696 0.103 19882
577 1 10 . 1 1 17 17 ILE CB C 17 37.547 37.547 37.599 -0.051 19882
578 1 10 . 1 1 17 17 ILE H H 17 7.929 7.929 8.011 -0.082 19882
579 1 10 . 1 1 18 18 ALA HA H 18 4.092 4.092 4.090 0.002 19882
580 1 10 . 1 1 18 18 ALA CA C 18 55.128 55.128 55.056 0.072 19882
581 1 10 . 1 1 18 18 ALA CB C 18 18.343 18.343 17.996 0.347 19882
582 1 10 . 1 1 18 18 ALA H H 18 8.144 8.144 7.917 0.227 19882
583 1 10 . 1 1 19 19 GLU HA H 19 4.052 4.052 4.066 -0.014 19882
584 1 10 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.590 -0.224 19882
585 1 10 . 1 1 19 19 GLU CB C 19 29.649 29.649 29.864 -0.215 19882
586 1 10 . 1 1 19 19 GLU H H 19 7.867 7.867 8.290 -0.423 19882
587 1 10 . 1 1 20 20 HIS HA H 20 4.287 4.287 4.372 -0.085 19882
588 1 10 . 1 1 20 20 HIS CA C 20 57.863 57.863 57.899 -0.036 19882
589 1 10 . 1 1 20 20 HIS CB C 20 28.931 28.931 30.280 -1.349 19882
590 1 10 . 1 1 20 20 HIS H H 20 7.815 7.815 7.462 0.353 19882
591 1 11 . 1 1 2 2 LEU HA H 2 4.032 4.032 4.259 -0.227 19882
592 1 11 . 1 1 2 2 LEU CA C 2 57.749 57.749 57.284 0.465 19882
593 1 11 . 1 1 2 2 LEU CB C 2 42.564 42.564 42.233 0.331 19882
594 1 11 . 1 1 3 3 PHE HA H 3 4.342 4.342 4.647 -0.305 19882
595 1 11 . 1 1 3 3 PHE CA C 3 60.583 60.583 59.950 0.632 19882
596 1 11 . 1 1 3 3 PHE CB C 3 38.215 38.215 38.807 -0.592 19882
597 1 11 . 1 1 3 3 PHE H H 3 8.152 8.152 8.119 0.033 19882
598 1 11 . 1 1 4 4 GLY CA C 4 46.743 46.743 46.012 0.731 19882
599 1 11 . 1 1 4 4 GLY H H 4 8.056 8.056 8.279 -0.223 19882
600 1 11 . 1 1 5 5 VAL HA H 5 3.802 3.802 3.938 -0.136 19882
601 1 11 . 1 1 5 5 VAL CA C 5 65.719 65.719 64.948 0.771 19882
602 1 11 . 1 1 5 5 VAL CB C 5 32.054 32.054 32.054 0.000 19882
603 1 11 . 1 1 5 5 VAL H H 5 7.756 7.756 8.119 -0.363 19882
604 1 11 . 1 1 6 6 LEU HA H 6 4.018 4.018 3.941 0.077 19882
605 1 11 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.528 -2.875 19882
606 1 11 . 1 1 6 6 LEU CB C 6 41.250 41.250 41.691 -0.441 19882
607 1 11 . 1 1 6 6 LEU H H 6 8.001 8.001 7.436 0.565 19882
608 1 11 . 1 1 7 7 ALA HA H 7 4.036 4.036 3.997 0.039 19882
609 1 11 . 1 1 7 7 ALA CA C 7 54.677 54.677 54.717 -0.040 19882
610 1 11 . 1 1 7 7 ALA CB C 7 18.396 18.396 18.064 0.332 19882
611 1 11 . 1 1 7 7 ALA H H 7 7.969 7.969 7.919 0.050 19882
612 1 11 . 1 1 8 8 LYS HA H 8 4.163 4.163 4.053 0.110 19882
613 1 11 . 1 1 8 8 LYS CA C 8 58.487 58.487 58.559 -0.072 19882
614 1 11 . 1 1 8 8 LYS CB C 8 32.853 32.853 32.064 0.789 19882
615 1 11 . 1 1 8 8 LYS H H 8 7.539 7.539 7.653 -0.114 19882
616 1 11 . 1 1 9 9 VAL HA H 9 3.941 3.941 3.872 0.069 19882
617 1 11 . 1 1 9 9 VAL CA C 9 64.272 64.272 65.843 -1.571 19882
618 1 11 . 1 1 9 9 VAL CB C 9 32.154 32.154 31.425 0.729 19882
619 1 11 . 1 1 9 9 VAL H H 9 7.775 7.775 7.286 0.489 19882
620 1 11 . 1 1 10 10 ALA HA H 10 4.187 4.187 4.135 0.052 19882
621 1 11 . 1 1 10 10 ALA CA C 10 53.261 53.261 54.634 -1.373 19882
622 1 11 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.234 0.758 19882
623 1 11 . 1 1 10 10 ALA H H 10 8.024 8.024 7.568 0.456 19882
624 1 11 . 1 1 11 11 ALA HA H 11 4.210 4.210 4.325 -0.115 19882
625 1 11 . 1 1 11 11 ALA CA C 11 53.176 53.176 52.492 0.683 19882
626 1 11 . 1 1 11 11 ALA CB C 11 19.058 19.058 19.070 -0.012 19882
627 1 11 . 1 1 11 11 ALA H H 11 7.574 7.574 7.403 0.171 19882
628 1 11 . 1 1 15 15 GLY CA C 15 43.727 43.727 46.848 -3.121 19882
629 1 11 . 1 1 15 15 GLY H H 15 8.644 8.644 8.259 0.385 19882
630 1 11 . 1 1 16 16 ALA HA H 16 4.265 4.265 4.138 0.127 19882
631 1 11 . 1 1 16 16 ALA CA C 16 52.234 52.234 54.558 -2.324 19882
632 1 11 . 1 1 16 16 ALA CB C 16 19.026 19.026 18.419 0.607 19882
633 1 11 . 1 1 16 16 ALA H H 16 7.924 7.924 8.107 -0.183 19882
634 1 11 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.910 -0.078 19882
635 1 11 . 1 1 17 17 ILE CA C 17 64.799 64.799 64.379 0.420 19882
636 1 11 . 1 1 17 17 ILE CB C 17 37.547 37.547 37.504 0.043 19882
637 1 11 . 1 1 17 17 ILE H H 17 7.929 7.929 8.025 -0.096 19882
638 1 11 . 1 1 18 18 ALA HA H 18 4.092 4.092 4.137 -0.045 19882
639 1 11 . 1 1 18 18 ALA CA C 18 55.128 55.128 55.033 0.095 19882
640 1 11 . 1 1 18 18 ALA CB C 18 18.343 18.343 17.997 0.346 19882
641 1 11 . 1 1 18 18 ALA H H 18 8.144 8.144 7.674 0.470 19882
642 1 11 . 1 1 19 19 GLU HA H 19 4.052 4.052 4.044 0.008 19882
643 1 11 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.649 -0.283 19882
644 1 11 . 1 1 19 19 GLU CB C 19 29.649 29.649 29.647 0.002 19882
645 1 11 . 1 1 19 19 GLU H H 19 7.867 7.867 7.803 0.064 19882
646 1 11 . 1 1 20 20 HIS HA H 20 4.287 4.287 4.369 -0.082 19882
647 1 11 . 1 1 20 20 HIS CA C 20 57.863 57.863 58.055 -0.192 19882
648 1 11 . 1 1 20 20 HIS CB C 20 28.931 28.931 30.431 -1.500 19882
649 1 11 . 1 1 20 20 HIS H H 20 7.815 7.815 7.504 0.311 19882
650 1 12 . 1 1 2 2 LEU HA H 2 4.032 4.032 4.169 -0.137 19882
651 1 12 . 1 1 2 2 LEU CA C 2 57.749 57.749 55.992 1.757 19882
652 1 12 . 1 1 2 2 LEU CB C 2 42.564 42.564 42.034 0.530 19882
653 1 12 . 1 1 3 3 PHE HA H 3 4.342 4.342 4.180 0.162 19882
654 1 12 . 1 1 3 3 PHE CA C 3 60.583 60.583 61.469 -0.886 19882
655 1 12 . 1 1 3 3 PHE CB C 3 38.215 38.215 38.631 -0.416 19882
656 1 12 . 1 1 3 3 PHE H H 3 8.152 8.152 8.562 -0.410 19882
657 1 12 . 1 1 4 4 GLY CA C 4 46.743 46.743 47.049 -0.306 19882
658 1 12 . 1 1 4 4 GLY H H 4 8.056 8.056 8.169 -0.113 19882
659 1 12 . 1 1 5 5 VAL HA H 5 3.802 3.802 3.965 -0.163 19882
660 1 12 . 1 1 5 5 VAL CA C 5 65.719 65.719 63.745 1.974 19882
661 1 12 . 1 1 5 5 VAL CB C 5 32.054 32.054 31.520 0.534 19882
662 1 12 . 1 1 5 5 VAL H H 5 7.756 7.756 7.559 0.197 19882
663 1 12 . 1 1 6 6 LEU HA H 6 4.018 4.018 4.425 -0.406 19882
664 1 12 . 1 1 6 6 LEU CA C 6 54.653 54.653 56.877 -2.224 19882
665 1 12 . 1 1 6 6 LEU CB C 6 41.250 41.250 41.954 -0.704 19882
666 1 12 . 1 1 6 6 LEU H H 6 8.001 8.001 7.449 0.552 19882
667 1 12 . 1 1 7 7 ALA HA H 7 4.036 4.036 4.128 -0.092 19882
668 1 12 . 1 1 7 7 ALA CA C 7 54.677 54.677 54.697 -0.020 19882
669 1 12 . 1 1 7 7 ALA CB C 7 18.396 18.396 18.295 0.101 19882
670 1 12 . 1 1 7 7 ALA H H 7 7.969 7.969 8.304 -0.335 19882
671 1 12 . 1 1 8 8 LYS HA H 8 4.163 4.163 4.100 0.063 19882
672 1 12 . 1 1 8 8 LYS CA C 8 58.487 58.487 58.837 -0.350 19882
673 1 12 . 1 1 8 8 LYS CB C 8 32.853 32.853 32.145 0.708 19882
674 1 12 . 1 1 8 8 LYS H H 8 7.539 7.539 7.643 -0.104 19882
675 1 12 . 1 1 9 9 VAL HA H 9 3.941 3.941 3.843 0.098 19882
676 1 12 . 1 1 9 9 VAL CA C 9 64.272 64.272 65.730 -1.458 19882
677 1 12 . 1 1 9 9 VAL CB C 9 32.154 32.154 30.836 1.318 19882
678 1 12 . 1 1 9 9 VAL H H 9 7.775 7.775 7.453 0.322 19882
679 1 12 . 1 1 10 10 ALA HA H 10 4.187 4.187 4.106 0.081 19882
680 1 12 . 1 1 10 10 ALA CA C 10 53.261 53.261 54.711 -1.450 19882
681 1 12 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.115 0.877 19882
682 1 12 . 1 1 10 10 ALA H H 10 8.024 8.024 7.513 0.511 19882
683 1 12 . 1 1 11 11 ALA HA H 11 4.210 4.210 4.250 -0.040 19882
684 1 12 . 1 1 11 11 ALA CA C 11 53.176 53.176 53.279 -0.103 19882
685 1 12 . 1 1 11 11 ALA CB C 11 19.058 19.058 19.204 -0.146 19882
686 1 12 . 1 1 11 11 ALA H H 11 7.574 7.574 7.412 0.162 19882
687 1 12 . 1 1 15 15 GLY CA C 15 43.727 43.727 46.114 -2.387 19882
688 1 12 . 1 1 15 15 GLY H H 15 8.644 8.644 8.498 0.146 19882
689 1 12 . 1 1 16 16 ALA HA H 16 4.265 4.265 4.293 -0.028 19882
690 1 12 . 1 1 16 16 ALA CA C 16 52.234 52.234 53.995 -1.761 19882
691 1 12 . 1 1 16 16 ALA CB C 16 19.026 19.026 18.895 0.130 19882
692 1 12 . 1 1 16 16 ALA H H 16 7.924 7.924 8.376 -0.452 19882
693 1 12 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.844 -0.012 19882
694 1 12 . 1 1 17 17 ILE CA C 17 64.799 64.799 63.551 1.248 19882
695 1 12 . 1 1 17 17 ILE CB C 17 37.547 37.547 36.757 0.790 19882
696 1 12 . 1 1 17 17 ILE H H 17 7.929 7.929 8.269 -0.340 19882
697 1 12 . 1 1 18 18 ALA HA H 18 4.092 4.092 4.156 -0.064 19882
698 1 12 . 1 1 18 18 ALA CA C 18 55.128 55.128 54.864 0.265 19882
699 1 12 . 1 1 18 18 ALA CB C 18 18.343 18.343 18.401 -0.058 19882
700 1 12 . 1 1 18 18 ALA H H 18 8.144 8.144 7.595 0.549 19882
701 1 12 . 1 1 19 19 GLU HA H 19 4.052 4.052 4.055 -0.003 19882
702 1 12 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.377 -0.011 19882
703 1 12 . 1 1 19 19 GLU CB C 19 29.649 29.649 29.884 -0.235 19882
704 1 12 . 1 1 19 19 GLU H H 19 7.867 7.867 8.302 -0.435 19882
705 1 12 . 1 1 20 20 HIS HA H 20 4.287 4.287 4.514 -0.227 19882
706 1 12 . 1 1 20 20 HIS CA C 20 57.863 57.863 57.468 0.395 19882
707 1 12 . 1 1 20 20 HIS CB C 20 28.931 28.931 30.811 -1.880 19882
708 1 12 . 1 1 20 20 HIS H H 20 7.815 7.815 7.613 0.202 19882
709 1 13 . 1 1 2 2 LEU HA H 2 4.032 4.032 4.252 -0.220 19882
710 1 13 . 1 1 2 2 LEU CA C 2 57.749 57.749 56.252 1.498 19882
711 1 13 . 1 1 2 2 LEU CB C 2 42.564 42.564 42.402 0.162 19882
712 1 13 . 1 1 3 3 PHE HA H 3 4.342 4.342 4.174 0.168 19882
713 1 13 . 1 1 3 3 PHE CA C 3 60.583 60.583 60.694 -0.111 19882
714 1 13 . 1 1 3 3 PHE CB C 3 38.215 38.215 38.536 -0.321 19882
715 1 13 . 1 1 3 3 PHE H H 3 8.152 8.152 8.467 -0.315 19882
716 1 13 . 1 1 4 4 GLY CA C 4 46.743 46.743 46.327 0.416 19882
717 1 13 . 1 1 4 4 GLY H H 4 8.056 8.056 7.903 0.153 19882
718 1 13 . 1 1 5 5 VAL HA H 5 3.802 3.802 3.866 -0.064 19882
719 1 13 . 1 1 5 5 VAL CA C 5 65.719 65.719 64.851 0.868 19882
720 1 13 . 1 1 5 5 VAL CB C 5 32.054 32.054 31.701 0.353 19882
721 1 13 . 1 1 5 5 VAL H H 5 7.756 7.756 7.490 0.266 19882
722 1 13 . 1 1 6 6 LEU HA H 6 4.018 4.018 3.994 0.024 19882
723 1 13 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.341 -2.688 19882
724 1 13 . 1 1 6 6 LEU CB C 6 41.250 41.250 41.347 -0.097 19882
725 1 13 . 1 1 6 6 LEU H H 6 8.001 8.001 8.438 -0.437 19882
726 1 13 . 1 1 7 7 ALA HA H 7 4.036 4.036 3.920 0.116 19882
727 1 13 . 1 1 7 7 ALA CA C 7 54.677 54.677 55.047 -0.370 19882
728 1 13 . 1 1 7 7 ALA CB C 7 18.396 18.396 17.986 0.409 19882
729 1 13 . 1 1 7 7 ALA H H 7 7.969 7.969 7.990 -0.021 19882
730 1 13 . 1 1 8 8 LYS HA H 8 4.163 4.163 4.069 0.094 19882
731 1 13 . 1 1 8 8 LYS CA C 8 58.487 58.487 59.145 -0.658 19882
732 1 13 . 1 1 8 8 LYS CB C 8 32.853 32.853 32.099 0.754 19882
733 1 13 . 1 1 8 8 LYS H H 8 7.539 7.539 7.580 -0.041 19882
734 1 13 . 1 1 9 9 VAL HA H 9 3.941 3.941 4.030 -0.089 19882
735 1 13 . 1 1 9 9 VAL CA C 9 64.272 64.272 64.004 0.268 19882
736 1 13 . 1 1 9 9 VAL CB C 9 32.154 32.154 31.854 0.300 19882
737 1 13 . 1 1 9 9 VAL H H 9 7.775 7.775 7.321 0.454 19882
738 1 13 . 1 1 10 10 ALA HA H 10 4.187 4.187 3.941 0.246 19882
739 1 13 . 1 1 10 10 ALA CA C 10 53.261 53.261 55.093 -1.832 19882
740 1 13 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.158 0.834 19882
741 1 13 . 1 1 10 10 ALA H H 10 8.024 8.024 7.568 0.456 19882
742 1 13 . 1 1 11 11 ALA HA H 11 4.210 4.210 4.061 0.149 19882
743 1 13 . 1 1 11 11 ALA CA C 11 53.176 53.176 53.970 -0.794 19882
744 1 13 . 1 1 11 11 ALA CB C 11 19.058 19.058 19.202 -0.144 19882
745 1 13 . 1 1 11 11 ALA H H 11 7.574 7.574 7.648 -0.074 19882
746 1 13 . 1 1 15 15 GLY CA C 15 43.727 43.727 47.277 -3.550 19882
747 1 13 . 1 1 15 15 GLY H H 15 8.644 8.644 8.332 0.312 19882
748 1 13 . 1 1 16 16 ALA HA H 16 4.265 4.265 3.858 0.407 19882
749 1 13 . 1 1 16 16 ALA CA C 16 52.234 52.234 54.773 -2.539 19882
750 1 13 . 1 1 16 16 ALA CB C 16 19.026 19.026 18.068 0.958 19882
751 1 13 . 1 1 16 16 ALA H H 16 7.924 7.924 6.737 1.187 19882
752 1 13 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.671 0.161 19882
753 1 13 . 1 1 17 17 ILE CA C 17 64.799 64.799 64.511 0.288 19882
754 1 13 . 1 1 17 17 ILE CB C 17 37.547 37.547 37.669 -0.122 19882
755 1 13 . 1 1 17 17 ILE H H 17 7.929 7.929 8.043 -0.114 19882
756 1 13 . 1 1 18 18 ALA HA H 18 4.092 4.092 4.042 0.050 19882
757 1 13 . 1 1 18 18 ALA CA C 18 55.128 55.128 55.023 0.104 19882
758 1 13 . 1 1 18 18 ALA CB C 18 18.343 18.343 18.061 0.282 19882
759 1 13 . 1 1 18 18 ALA H H 18 8.144 8.144 7.917 0.227 19882
760 1 13 . 1 1 19 19 GLU HA H 19 4.052 4.052 4.080 -0.028 19882
761 1 13 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.352 0.014 19882
762 1 13 . 1 1 19 19 GLU CB C 19 29.649 29.649 29.976 -0.327 19882
763 1 13 . 1 1 19 19 GLU H H 19 7.867 7.867 8.056 -0.189 19882
764 1 13 . 1 1 20 20 HIS HA H 20 4.287 4.287 4.473 -0.186 19882
765 1 13 . 1 1 20 20 HIS CA C 20 57.863 57.863 56.890 0.973 19882
766 1 13 . 1 1 20 20 HIS CB C 20 28.931 28.931 31.241 -2.310 19882
767 1 13 . 1 1 20 20 HIS H H 20 7.815 7.815 7.615 0.200 19882
768 1 14 . 1 1 2 2 LEU HA H 2 4.032 4.032 4.329 -0.297 19882
769 1 14 . 1 1 2 2 LEU CA C 2 57.749 57.749 56.058 1.691 19882
770 1 14 . 1 1 2 2 LEU CB C 2 42.564 42.564 42.034 0.530 19882
771 1 14 . 1 1 3 3 PHE HA H 3 4.342 4.342 4.157 0.185 19882
772 1 14 . 1 1 3 3 PHE CA C 3 60.583 60.583 61.063 -0.480 19882
773 1 14 . 1 1 3 3 PHE CB C 3 38.215 38.215 38.389 -0.174 19882
774 1 14 . 1 1 3 3 PHE H H 3 8.152 8.152 8.394 -0.242 19882
775 1 14 . 1 1 4 4 GLY CA C 4 46.743 46.743 46.896 -0.153 19882
776 1 14 . 1 1 4 4 GLY H H 4 8.056 8.056 8.353 -0.297 19882
777 1 14 . 1 1 5 5 VAL HA H 5 3.802 3.802 3.860 -0.058 19882
778 1 14 . 1 1 5 5 VAL CA C 5 65.719 65.719 63.712 2.007 19882
779 1 14 . 1 1 5 5 VAL CB C 5 32.054 32.054 31.981 0.073 19882
780 1 14 . 1 1 5 5 VAL H H 5 7.756 7.756 7.351 0.405 19882
781 1 14 . 1 1 6 6 LEU HA H 6 4.018 4.018 3.873 0.145 19882
782 1 14 . 1 1 6 6 LEU CA C 6 54.653 54.653 58.142 -3.489 19882
783 1 14 . 1 1 6 6 LEU CB C 6 41.250 41.250 41.622 -0.372 19882
784 1 14 . 1 1 6 6 LEU H H 6 8.001 8.001 7.956 0.045 19882
785 1 14 . 1 1 7 7 ALA HA H 7 4.036 4.036 4.008 0.028 19882
786 1 14 . 1 1 7 7 ALA CA C 7 54.677 54.677 54.771 -0.094 19882
787 1 14 . 1 1 7 7 ALA CB C 7 18.396 18.396 18.145 0.251 19882
788 1 14 . 1 1 7 7 ALA H H 7 7.969 7.969 7.598 0.371 19882
789 1 14 . 1 1 8 8 LYS HA H 8 4.163 4.163 4.084 0.079 19882
790 1 14 . 1 1 8 8 LYS CA C 8 58.487 58.487 58.761 -0.274 19882
791 1 14 . 1 1 8 8 LYS CB C 8 32.853 32.853 32.027 0.826 19882
792 1 14 . 1 1 8 8 LYS H H 8 7.539 7.539 7.832 -0.293 19882
793 1 14 . 1 1 9 9 VAL HA H 9 3.941 3.941 3.830 0.111 19882
794 1 14 . 1 1 9 9 VAL CA C 9 64.272 64.272 65.321 -1.049 19882
795 1 14 . 1 1 9 9 VAL CB C 9 32.154 32.154 31.178 0.976 19882
796 1 14 . 1 1 9 9 VAL H H 9 7.775 7.775 7.427 0.348 19882
797 1 14 . 1 1 10 10 ALA HA H 10 4.187 4.187 4.226 -0.039 19882
798 1 14 . 1 1 10 10 ALA CA C 10 53.261 53.261 54.171 -0.910 19882
799 1 14 . 1 1 10 10 ALA CB C 10 18.992 18.992 19.022 -0.030 19882
800 1 14 . 1 1 10 10 ALA H H 10 8.024 8.024 7.526 0.498 19882
801 1 14 . 1 1 11 11 ALA HA H 11 4.210 4.210 4.370 -0.160 19882
802 1 14 . 1 1 11 11 ALA CA C 11 53.176 53.176 53.251 -0.075 19882
803 1 14 . 1 1 11 11 ALA CB C 11 19.058 19.058 19.553 -0.495 19882
804 1 14 . 1 1 11 11 ALA H H 11 7.574 7.574 7.361 0.213 19882
805 1 14 . 1 1 15 15 GLY CA C 15 43.727 43.727 47.197 -3.470 19882
806 1 14 . 1 1 15 15 GLY H H 15 8.644 8.644 7.935 0.709 19882
807 1 14 . 1 1 16 16 ALA HA H 16 4.265 4.265 3.983 0.282 19882
808 1 14 . 1 1 16 16 ALA CA C 16 52.234 52.234 54.638 -2.404 19882
809 1 14 . 1 1 16 16 ALA CB C 16 19.026 19.026 18.541 0.484 19882
810 1 14 . 1 1 16 16 ALA H H 16 7.924 7.924 7.549 0.375 19882
811 1 14 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.803 0.029 19882
812 1 14 . 1 1 17 17 ILE CA C 17 64.799 64.799 64.601 0.198 19882
813 1 14 . 1 1 17 17 ILE CB C 17 37.547 37.547 37.510 0.037 19882
814 1 14 . 1 1 17 17 ILE H H 17 7.929 7.929 8.206 -0.277 19882
815 1 14 . 1 1 18 18 ALA HA H 18 4.092 4.092 4.056 0.036 19882
816 1 14 . 1 1 18 18 ALA CA C 18 55.128 55.128 54.978 0.150 19882
817 1 14 . 1 1 18 18 ALA CB C 18 18.343 18.343 17.957 0.386 19882
818 1 14 . 1 1 18 18 ALA H H 18 8.144 8.144 7.611 0.533 19882
819 1 14 . 1 1 19 19 GLU HA H 19 4.052 4.052 4.050 0.002 19882
820 1 14 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.775 -0.409 19882
821 1 14 . 1 1 19 19 GLU CB C 19 29.649 29.649 29.659 -0.010 19882
822 1 14 . 1 1 19 19 GLU H H 19 7.867 7.867 7.858 0.009 19882
823 1 14 . 1 1 20 20 HIS HA H 20 4.287 4.287 4.409 -0.122 19882
824 1 14 . 1 1 20 20 HIS CA C 20 57.863 57.863 58.035 -0.172 19882
825 1 14 . 1 1 20 20 HIS CB C 20 28.931 28.931 30.521 -1.590 19882
826 1 14 . 1 1 20 20 HIS H H 20 7.815 7.815 7.573 0.242 19882
827 1 15 . 1 1 2 2 LEU HA H 2 4.032 4.032 4.410 -0.378 19882
828 1 15 . 1 1 2 2 LEU CA C 2 57.749 57.749 55.754 1.995 19882
829 1 15 . 1 1 2 2 LEU CB C 2 42.564 42.564 41.833 0.731 19882
830 1 15 . 1 1 3 3 PHE HA H 3 4.342 4.342 4.198 0.144 19882
831 1 15 . 1 1 3 3 PHE CA C 3 60.583 60.583 60.573 0.010 19882
832 1 15 . 1 1 3 3 PHE CB C 3 38.215 38.215 38.721 -0.506 19882
833 1 15 . 1 1 3 3 PHE H H 3 8.152 8.152 8.522 -0.370 19882
834 1 15 . 1 1 4 4 GLY CA C 4 46.743 46.743 46.245 0.498 19882
835 1 15 . 1 1 4 4 GLY H H 4 8.056 8.056 7.620 0.436 19882
836 1 15 . 1 1 5 5 VAL HA H 5 3.802 3.802 3.911 -0.109 19882
837 1 15 . 1 1 5 5 VAL CA C 5 65.719 65.719 64.076 1.643 19882
838 1 15 . 1 1 5 5 VAL CB C 5 32.054 32.054 31.621 0.433 19882
839 1 15 . 1 1 5 5 VAL H H 5 7.756 7.756 7.305 0.451 19882
840 1 15 . 1 1 6 6 LEU HA H 6 4.018 4.018 3.982 0.036 19882
841 1 15 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.288 -2.635 19882
842 1 15 . 1 1 6 6 LEU CB C 6 41.250 41.250 41.365 -0.115 19882
843 1 15 . 1 1 6 6 LEU H H 6 8.001 8.001 8.499 -0.498 19882
844 1 15 . 1 1 7 7 ALA HA H 7 4.036 4.036 3.960 0.076 19882
845 1 15 . 1 1 7 7 ALA CA C 7 54.677 54.677 54.993 -0.316 19882
846 1 15 . 1 1 7 7 ALA CB C 7 18.396 18.396 17.989 0.407 19882
847 1 15 . 1 1 7 7 ALA H H 7 7.969 7.969 7.781 0.188 19882
848 1 15 . 1 1 8 8 LYS HA H 8 4.163 4.163 4.102 0.061 19882
849 1 15 . 1 1 8 8 LYS CA C 8 58.487 58.487 58.812 -0.325 19882
850 1 15 . 1 1 8 8 LYS CB C 8 32.853 32.853 32.026 0.827 19882
851 1 15 . 1 1 8 8 LYS H H 8 7.539 7.539 7.517 0.022 19882
852 1 15 . 1 1 9 9 VAL HA H 9 3.941 3.941 3.840 0.101 19882
853 1 15 . 1 1 9 9 VAL CA C 9 64.272 64.272 65.723 -1.451 19882
854 1 15 . 1 1 9 9 VAL CB C 9 32.154 32.154 30.892 1.262 19882
855 1 15 . 1 1 9 9 VAL H H 9 7.775 7.775 7.611 0.164 19882
856 1 15 . 1 1 10 10 ALA HA H 10 4.187 4.187 4.276 -0.089 19882
857 1 15 . 1 1 10 10 ALA CA C 10 53.261 53.261 53.863 -0.602 19882
858 1 15 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.983 0.009 19882
859 1 15 . 1 1 10 10 ALA H H 10 8.024 8.024 7.599 0.425 19882
860 1 15 . 1 1 11 11 ALA HA H 11 4.210 4.210 4.284 -0.074 19882
861 1 15 . 1 1 11 11 ALA CA C 11 53.176 53.176 53.873 -0.697 19882
862 1 15 . 1 1 11 11 ALA CB C 11 19.058 19.058 19.685 -0.627 19882
863 1 15 . 1 1 11 11 ALA H H 11 7.574 7.574 8.141 -0.567 19882
864 1 15 . 1 1 15 15 GLY CA C 15 43.727 43.727 47.561 -3.834 19882
865 1 15 . 1 1 15 15 GLY H H 15 8.644 8.644 7.977 0.667 19882
866 1 15 . 1 1 16 16 ALA HA H 16 4.265 4.265 4.048 0.217 19882
867 1 15 . 1 1 16 16 ALA CA C 16 52.234 52.234 54.846 -2.612 19882
868 1 15 . 1 1 16 16 ALA CB C 16 19.026 19.026 18.203 0.823 19882
869 1 15 . 1 1 16 16 ALA H H 16 7.924 7.924 7.970 -0.046 19882
870 1 15 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.564 0.268 19882
871 1 15 . 1 1 17 17 ILE CA C 17 64.799 64.799 64.868 -0.069 19882
872 1 15 . 1 1 17 17 ILE CB C 17 37.547 37.547 37.526 0.021 19882
873 1 15 . 1 1 17 17 ILE H H 17 7.929 7.929 7.833 0.096 19882
874 1 15 . 1 1 18 18 ALA HA H 18 4.092 4.092 4.135 -0.043 19882
875 1 15 . 1 1 18 18 ALA CA C 18 55.128 55.128 54.906 0.222 19882
876 1 15 . 1 1 18 18 ALA CB C 18 18.343 18.343 18.169 0.174 19882
877 1 15 . 1 1 18 18 ALA H H 18 8.144 8.144 8.043 0.101 19882
878 1 15 . 1 1 19 19 GLU HA H 19 4.052 4.052 4.084 -0.032 19882
879 1 15 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.439 -0.073 19882
880 1 15 . 1 1 19 19 GLU CB C 19 29.649 29.649 29.966 -0.317 19882
881 1 15 . 1 1 19 19 GLU H H 19 7.867 7.867 7.944 -0.077 19882
882 1 15 . 1 1 20 20 HIS HA H 20 4.287 4.287 4.472 -0.185 19882
883 1 15 . 1 1 20 20 HIS CA C 20 57.863 57.863 56.810 1.053 19882
884 1 15 . 1 1 20 20 HIS CB C 20 28.931 28.931 31.103 -2.172 19882
885 1 15 . 1 1 20 20 HIS H H 20 7.815 7.815 7.417 0.398 19882
886 1 16 . 1 1 2 2 LEU HA H 2 4.032 4.032 4.139 -0.107 19882
887 1 16 . 1 1 2 2 LEU CA C 2 57.749 57.749 56.337 1.412 19882
888 1 16 . 1 1 2 2 LEU CB C 2 42.564 42.564 41.969 0.595 19882
889 1 16 . 1 1 3 3 PHE HA H 3 4.342 4.342 4.186 0.156 19882
890 1 16 . 1 1 3 3 PHE CA C 3 60.583 60.583 61.422 -0.839 19882
891 1 16 . 1 1 3 3 PHE CB C 3 38.215 38.215 38.552 -0.337 19882
892 1 16 . 1 1 3 3 PHE H H 3 8.152 8.152 8.583 -0.431 19882
893 1 16 . 1 1 4 4 GLY CA C 4 46.743 46.743 47.159 -0.416 19882
894 1 16 . 1 1 4 4 GLY H H 4 8.056 8.056 7.865 0.191 19882
895 1 16 . 1 1 5 5 VAL HA H 5 3.802 3.802 3.818 -0.016 19882
896 1 16 . 1 1 5 5 VAL CA C 5 65.719 65.719 65.351 0.368 19882
897 1 16 . 1 1 5 5 VAL CB C 5 32.054 32.054 31.301 0.753 19882
898 1 16 . 1 1 5 5 VAL H H 5 7.756 7.756 7.586 0.170 19882
899 1 16 . 1 1 6 6 LEU HA H 6 4.018 4.018 4.424 -0.406 19882
900 1 16 . 1 1 6 6 LEU CA C 6 54.653 54.653 56.842 -2.189 19882
901 1 16 . 1 1 6 6 LEU CB C 6 41.250 41.250 42.202 -0.952 19882
902 1 16 . 1 1 6 6 LEU H H 6 8.001 8.001 7.183 0.818 19882
903 1 16 . 1 1 7 7 ALA HA H 7 4.036 4.036 4.085 -0.049 19882
904 1 16 . 1 1 7 7 ALA CA C 7 54.677 54.677 54.633 0.044 19882
905 1 16 . 1 1 7 7 ALA CB C 7 18.396 18.396 18.337 0.059 19882
906 1 16 . 1 1 7 7 ALA H H 7 7.969 7.969 8.209 -0.240 19882
907 1 16 . 1 1 8 8 LYS HA H 8 4.163 4.163 4.052 0.111 19882
908 1 16 . 1 1 8 8 LYS CA C 8 58.487 58.487 59.241 -0.754 19882
909 1 16 . 1 1 8 8 LYS CB C 8 32.853 32.853 32.467 0.387 19882
910 1 16 . 1 1 8 8 LYS H H 8 7.539 7.539 8.219 -0.680 19882
911 1 16 . 1 1 9 9 VAL HA H 9 3.941 3.941 3.994 -0.053 19882
912 1 16 . 1 1 9 9 VAL CA C 9 64.272 64.272 64.957 -0.685 19882
913 1 16 . 1 1 9 9 VAL CB C 9 32.154 32.154 31.914 0.240 19882
914 1 16 . 1 1 9 9 VAL H H 9 7.775 7.775 7.341 0.434 19882
915 1 16 . 1 1 10 10 ALA HA H 10 4.187 4.187 4.182 0.005 19882
916 1 16 . 1 1 10 10 ALA CA C 10 53.261 53.261 54.412 -1.151 19882
917 1 16 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.940 0.052 19882
918 1 16 . 1 1 10 10 ALA H H 10 8.024 8.024 7.453 0.571 19882
919 1 16 . 1 1 11 11 ALA HA H 11 4.210 4.210 4.443 -0.233 19882
920 1 16 . 1 1 11 11 ALA CA C 11 53.176 53.176 52.376 0.800 19882
921 1 16 . 1 1 11 11 ALA CB C 11 19.058 19.058 19.887 -0.829 19882
922 1 16 . 1 1 11 11 ALA H H 11 7.574 7.574 7.532 0.042 19882
923 1 16 . 1 1 15 15 GLY CA C 15 43.727 43.727 47.080 -3.353 19882
924 1 16 . 1 1 15 15 GLY H H 15 8.644 8.644 8.621 0.023 19882
925 1 16 . 1 1 16 16 ALA HA H 16 4.265 4.265 3.968 0.297 19882
926 1 16 . 1 1 16 16 ALA CA C 16 52.234 52.234 54.675 -2.441 19882
927 1 16 . 1 1 16 16 ALA CB C 16 19.026 19.026 18.616 0.410 19882
928 1 16 . 1 1 16 16 ALA H H 16 7.924 7.924 7.997 -0.073 19882
929 1 16 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.782 0.050 19882
930 1 16 . 1 1 17 17 ILE CA C 17 64.799 64.799 64.828 -0.029 19882
931 1 16 . 1 1 17 17 ILE CB C 17 37.547 37.547 37.751 -0.204 19882
932 1 16 . 1 1 17 17 ILE H H 17 7.929 7.929 7.931 -0.002 19882
933 1 16 . 1 1 18 18 ALA HA H 18 4.092 4.092 4.037 0.055 19882
934 1 16 . 1 1 18 18 ALA CA C 18 55.128 55.128 55.130 -0.002 19882
935 1 16 . 1 1 18 18 ALA CB C 18 18.343 18.343 18.030 0.312 19882
936 1 16 . 1 1 18 18 ALA H H 18 8.144 8.144 8.422 -0.278 19882
937 1 16 . 1 1 19 19 GLU HA H 19 4.052 4.052 4.069 -0.017 19882
938 1 16 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.377 -0.011 19882
939 1 16 . 1 1 19 19 GLU CB C 19 29.649 29.649 29.975 -0.326 19882
940 1 16 . 1 1 19 19 GLU H H 19 7.867 7.867 8.096 -0.229 19882
941 1 16 . 1 1 20 20 HIS HA H 20 4.287 4.287 4.531 -0.244 19882
942 1 16 . 1 1 20 20 HIS CA C 20 57.863 57.863 57.351 0.512 19882
943 1 16 . 1 1 20 20 HIS CB C 20 28.931 28.931 30.894 -1.963 19882
944 1 16 . 1 1 20 20 HIS H H 20 7.815 7.815 7.617 0.198 19882
945 1 17 . 1 1 2 2 LEU HA H 2 4.032 4.032 4.259 -0.227 19882
946 1 17 . 1 1 2 2 LEU CA C 2 57.749 57.749 57.237 0.512 19882
947 1 17 . 1 1 2 2 LEU CB C 2 42.564 42.564 41.427 1.137 19882
948 1 17 . 1 1 3 3 PHE HA H 3 4.342 4.342 4.268 0.074 19882
949 1 17 . 1 1 3 3 PHE CA C 3 60.583 60.583 60.408 0.175 19882
950 1 17 . 1 1 3 3 PHE CB C 3 38.215 38.215 38.397 -0.182 19882
951 1 17 . 1 1 3 3 PHE H H 3 8.152 8.152 8.368 -0.216 19882
952 1 17 . 1 1 4 4 GLY CA C 4 46.743 46.743 46.534 0.209 19882
953 1 17 . 1 1 4 4 GLY H H 4 8.056 8.056 8.422 -0.366 19882
954 1 17 . 1 1 5 5 VAL HA H 5 3.802 3.802 4.037 -0.235 19882
955 1 17 . 1 1 5 5 VAL CA C 5 65.719 65.719 63.438 2.281 19882
956 1 17 . 1 1 5 5 VAL CB C 5 32.054 32.054 31.698 0.356 19882
957 1 17 . 1 1 5 5 VAL H H 5 7.756 7.756 7.393 0.363 19882
958 1 17 . 1 1 6 6 LEU HA H 6 4.018 4.018 4.436 -0.418 19882
959 1 17 . 1 1 6 6 LEU CA C 6 54.653 54.653 56.978 -2.325 19882
960 1 17 . 1 1 6 6 LEU CB C 6 41.250 41.250 41.947 -0.697 19882
961 1 17 . 1 1 6 6 LEU H H 6 8.001 8.001 7.944 0.057 19882
962 1 17 . 1 1 7 7 ALA HA H 7 4.036 4.036 4.063 -0.027 19882
963 1 17 . 1 1 7 7 ALA CA C 7 54.677 54.677 54.639 0.038 19882
964 1 17 . 1 1 7 7 ALA CB C 7 18.396 18.396 18.121 0.275 19882
965 1 17 . 1 1 7 7 ALA H H 7 7.969 7.969 7.645 0.324 19882
966 1 17 . 1 1 8 8 LYS HA H 8 4.163 4.163 4.055 0.108 19882
967 1 17 . 1 1 8 8 LYS CA C 8 58.487 58.487 58.802 -0.315 19882
968 1 17 . 1 1 8 8 LYS CB C 8 32.853 32.853 32.062 0.791 19882
969 1 17 . 1 1 8 8 LYS H H 8 7.539 7.539 7.716 -0.177 19882
970 1 17 . 1 1 9 9 VAL HA H 9 3.941 3.941 3.806 0.135 19882
971 1 17 . 1 1 9 9 VAL CA C 9 64.272 64.272 65.855 -1.583 19882
972 1 17 . 1 1 9 9 VAL CB C 9 32.154 32.154 31.583 0.571 19882
973 1 17 . 1 1 9 9 VAL H H 9 7.775 7.775 7.404 0.371 19882
974 1 17 . 1 1 10 10 ALA HA H 10 4.187 4.187 4.010 0.177 19882
975 1 17 . 1 1 10 10 ALA CA C 10 53.261 53.261 54.772 -1.511 19882
976 1 17 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.103 0.889 19882
977 1 17 . 1 1 10 10 ALA H H 10 8.024 8.024 7.612 0.412 19882
978 1 17 . 1 1 11 11 ALA HA H 11 4.210 4.210 4.249 -0.039 19882
979 1 17 . 1 1 11 11 ALA CA C 11 53.176 53.176 53.545 -0.369 19882
980 1 17 . 1 1 11 11 ALA CB C 11 19.058 19.058 19.331 -0.273 19882
981 1 17 . 1 1 11 11 ALA H H 11 7.574 7.574 7.462 0.112 19882
982 1 17 . 1 1 15 15 GLY CA C 15 43.727 43.727 47.799 -4.072 19882
983 1 17 . 1 1 15 15 GLY H H 15 8.644 8.644 8.358 0.286 19882
984 1 17 . 1 1 16 16 ALA HA H 16 4.265 4.265 4.229 0.036 19882
985 1 17 . 1 1 16 16 ALA CA C 16 52.234 52.234 54.931 -2.697 19882
986 1 17 . 1 1 16 16 ALA CB C 16 19.026 19.026 18.510 0.516 19882
987 1 17 . 1 1 16 16 ALA H H 16 7.924 7.924 7.938 -0.014 19882
988 1 17 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.684 0.148 19882
989 1 17 . 1 1 17 17 ILE CA C 17 64.799 64.799 64.346 0.453 19882
990 1 17 . 1 1 17 17 ILE CB C 17 37.547 37.547 37.682 -0.135 19882
991 1 17 . 1 1 17 17 ILE H H 17 7.929 7.929 7.977 -0.048 19882
992 1 17 . 1 1 18 18 ALA HA H 18 4.092 4.092 4.033 0.059 19882
993 1 17 . 1 1 18 18 ALA CA C 18 55.128 55.128 55.308 -0.180 19882
994 1 17 . 1 1 18 18 ALA CB C 18 18.343 18.343 17.945 0.398 19882
995 1 17 . 1 1 18 18 ALA H H 18 8.144 8.144 8.411 -0.267 19882
996 1 17 . 1 1 19 19 GLU HA H 19 4.052 4.052 4.163 -0.111 19882
997 1 17 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.688 -0.321 19882
998 1 17 . 1 1 19 19 GLU CB C 19 29.649 29.649 29.923 -0.274 19882
999 1 17 . 1 1 19 19 GLU H H 19 7.867 7.867 8.210 -0.343 19882
1000 1 17 . 1 1 20 20 HIS HA H 20 4.287 4.287 4.536 -0.249 19882
1001 1 17 . 1 1 20 20 HIS CA C 20 57.863 57.863 56.643 1.220 19882
1002 1 17 . 1 1 20 20 HIS CB C 20 28.931 28.931 30.731 -1.800 19882
1003 1 17 . 1 1 20 20 HIS H H 20 7.815 7.815 7.604 0.211 19882
1004 1 18 . 1 1 2 2 LEU HA H 2 4.032 4.032 4.244 -0.212 19882
1005 1 18 . 1 1 2 2 LEU CA C 2 57.749 57.749 56.361 1.388 19882
1006 1 18 . 1 1 2 2 LEU CB C 2 42.564 42.564 41.535 1.028 19882
1007 1 18 . 1 1 3 3 PHE HA H 3 4.342 4.342 4.606 -0.264 19882
1008 1 18 . 1 1 3 3 PHE CA C 3 60.583 60.583 59.397 1.186 19882
1009 1 18 . 1 1 3 3 PHE CB C 3 38.215 38.215 39.237 -1.022 19882
1010 1 18 . 1 1 3 3 PHE H H 3 8.152 8.152 8.149 0.003 19882
1011 1 18 . 1 1 4 4 GLY CA C 4 46.743 46.743 46.084 0.659 19882
1012 1 18 . 1 1 4 4 GLY H H 4 8.056 8.056 7.576 0.480 19882
1013 1 18 . 1 1 5 5 VAL HA H 5 3.802 3.802 3.852 -0.050 19882
1014 1 18 . 1 1 5 5 VAL CA C 5 65.719 65.719 64.787 0.932 19882
1015 1 18 . 1 1 5 5 VAL CB C 5 32.054 32.054 32.122 -0.068 19882
1016 1 18 . 1 1 5 5 VAL H H 5 7.756 7.756 8.182 -0.426 19882
1017 1 18 . 1 1 6 6 LEU HA H 6 4.018 4.018 4.403 -0.385 19882
1018 1 18 . 1 1 6 6 LEU CA C 6 54.653 54.653 56.878 -2.225 19882
1019 1 18 . 1 1 6 6 LEU CB C 6 41.250 41.250 42.216 -0.966 19882
1020 1 18 . 1 1 6 6 LEU H H 6 8.001 8.001 7.403 0.598 19882
1021 1 18 . 1 1 7 7 ALA HA H 7 4.036 4.036 4.048 -0.012 19882
1022 1 18 . 1 1 7 7 ALA CA C 7 54.677 54.677 54.575 0.102 19882
1023 1 18 . 1 1 7 7 ALA CB C 7 18.396 18.396 17.895 0.501 19882
1024 1 18 . 1 1 7 7 ALA H H 7 7.969 7.969 7.452 0.516 19882
1025 1 18 . 1 1 8 8 LYS HA H 8 4.163 4.163 4.030 0.133 19882
1026 1 18 . 1 1 8 8 LYS CA C 8 58.487 58.487 58.868 -0.381 19882
1027 1 18 . 1 1 8 8 LYS CB C 8 32.853 32.853 32.066 0.787 19882
1028 1 18 . 1 1 8 8 LYS H H 8 7.539 7.539 7.662 -0.123 19882
1029 1 18 . 1 1 9 9 VAL HA H 9 3.941 3.941 3.821 0.120 19882
1030 1 18 . 1 1 9 9 VAL CA C 9 64.272 64.272 65.445 -1.173 19882
1031 1 18 . 1 1 9 9 VAL CB C 9 32.154 32.154 31.560 0.594 19882
1032 1 18 . 1 1 9 9 VAL H H 9 7.775 7.775 7.351 0.424 19882
1033 1 18 . 1 1 10 10 ALA HA H 10 4.187 4.187 3.975 0.212 19882
1034 1 18 . 1 1 10 10 ALA CA C 10 53.261 53.261 54.875 -1.614 19882
1035 1 18 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.094 0.898 19882
1036 1 18 . 1 1 10 10 ALA H H 10 8.024 8.024 7.484 0.540 19882
1037 1 18 . 1 1 11 11 ALA HA H 11 4.210 4.210 4.162 0.048 19882
1038 1 18 . 1 1 11 11 ALA CA C 11 53.176 53.176 54.086 -0.909 19882
1039 1 18 . 1 1 11 11 ALA CB C 11 19.058 19.058 19.250 -0.192 19882
1040 1 18 . 1 1 11 11 ALA H H 11 7.574 7.574 7.580 -0.006 19882
1041 1 18 . 1 1 15 15 GLY CA C 15 43.727 43.727 47.007 -3.280 19882
1042 1 18 . 1 1 15 15 GLY H H 15 8.644 8.644 8.188 0.456 19882
1043 1 18 . 1 1 16 16 ALA HA H 16 4.265 4.265 4.053 0.212 19882
1044 1 18 . 1 1 16 16 ALA CA C 16 52.234 52.234 54.660 -2.425 19882
1045 1 18 . 1 1 16 16 ALA CB C 16 19.026 19.026 18.370 0.656 19882
1046 1 18 . 1 1 16 16 ALA H H 16 7.924 7.924 8.183 -0.259 19882
1047 1 18 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.723 0.109 19882
1048 1 18 . 1 1 17 17 ILE CA C 17 64.799 64.799 63.309 1.490 19882
1049 1 18 . 1 1 17 17 ILE CB C 17 37.547 37.547 36.186 1.361 19882
1050 1 18 . 1 1 17 17 ILE H H 17 7.929 7.929 7.793 0.136 19882
1051 1 18 . 1 1 18 18 ALA HA H 18 4.092 4.092 4.109 -0.017 19882
1052 1 18 . 1 1 18 18 ALA CA C 18 55.128 55.128 55.150 -0.022 19882
1053 1 18 . 1 1 18 18 ALA CB C 18 18.343 18.343 18.064 0.279 19882
1054 1 18 . 1 1 18 18 ALA H H 18 8.144 8.144 7.805 0.339 19882
1055 1 18 . 1 1 19 19 GLU HA H 19 4.052 4.052 4.050 0.002 19882
1056 1 18 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.748 -0.382 19882
1057 1 18 . 1 1 19 19 GLU CB C 19 29.649 29.649 29.691 -0.042 19882
1058 1 18 . 1 1 19 19 GLU H H 19 7.867 7.867 8.047 -0.180 19882
1059 1 18 . 1 1 20 20 HIS HA H 20 4.287 4.287 4.436 -0.149 19882
1060 1 18 . 1 1 20 20 HIS CA C 20 57.863 57.863 57.791 0.072 19882
1061 1 18 . 1 1 20 20 HIS CB C 20 28.931 28.931 30.812 -1.881 19882
1062 1 18 . 1 1 20 20 HIS H H 20 7.815 7.815 7.689 0.126 19882
1063 1 19 . 1 1 2 2 LEU HA H 2 4.032 4.032 4.207 -0.175 19882
1064 1 19 . 1 1 2 2 LEU CA C 2 57.749 57.749 56.447 1.302 19882
1065 1 19 . 1 1 2 2 LEU CB C 2 42.564 42.564 42.255 0.308 19882
1066 1 19 . 1 1 3 3 PHE HA H 3 4.342 4.342 4.189 0.153 19882
1067 1 19 . 1 1 3 3 PHE CA C 3 60.583 60.583 60.763 -0.180 19882
1068 1 19 . 1 1 3 3 PHE CB C 3 38.215 38.215 38.496 -0.281 19882
1069 1 19 . 1 1 3 3 PHE H H 3 8.152 8.152 8.478 -0.326 19882
1070 1 19 . 1 1 4 4 GLY CA C 4 46.743 46.743 46.716 0.027 19882
1071 1 19 . 1 1 4 4 GLY H H 4 8.056 8.056 7.843 0.213 19882
1072 1 19 . 1 1 5 5 VAL HA H 5 3.802 3.802 3.715 0.087 19882
1073 1 19 . 1 1 5 5 VAL CA C 5 65.719 65.719 65.282 0.437 19882
1074 1 19 . 1 1 5 5 VAL CB C 5 32.054 32.054 31.887 0.168 19882
1075 1 19 . 1 1 5 5 VAL H H 5 7.756 7.756 7.221 0.535 19882
1076 1 19 . 1 1 6 6 LEU HA H 6 4.018 4.018 3.947 0.071 19882
1077 1 19 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.804 -3.151 19882
1078 1 19 . 1 1 6 6 LEU CB C 6 41.250 41.250 41.791 -0.541 19882
1079 1 19 . 1 1 6 6 LEU H H 6 8.001 8.001 7.985 0.016 19882
1080 1 19 . 1 1 7 7 ALA HA H 7 4.036 4.036 4.131 -0.095 19882
1081 1 19 . 1 1 7 7 ALA CA C 7 54.677 54.677 53.955 0.722 19882
1082 1 19 . 1 1 7 7 ALA CB C 7 18.396 18.396 18.571 -0.175 19882
1083 1 19 . 1 1 7 7 ALA H H 7 7.969 7.969 7.468 0.501 19882
1084 1 19 . 1 1 8 8 LYS HA H 8 4.163 4.163 4.026 0.137 19882
1085 1 19 . 1 1 8 8 LYS CA C 8 58.487 58.487 58.891 -0.404 19882
1086 1 19 . 1 1 8 8 LYS CB C 8 32.853 32.853 32.240 0.613 19882
1087 1 19 . 1 1 8 8 LYS H H 8 7.539 7.539 7.585 -0.046 19882
1088 1 19 . 1 1 9 9 VAL HA H 9 3.941 3.941 3.720 0.221 19882
1089 1 19 . 1 1 9 9 VAL CA C 9 64.272 64.272 65.966 -1.694 19882
1090 1 19 . 1 1 9 9 VAL CB C 9 32.154 32.154 31.605 0.549 19882
1091 1 19 . 1 1 9 9 VAL H H 9 7.775 7.775 7.583 0.192 19882
1092 1 19 . 1 1 10 10 ALA HA H 10 4.187 4.187 4.075 0.112 19882
1093 1 19 . 1 1 10 10 ALA CA C 10 53.261 53.261 54.323 -1.062 19882
1094 1 19 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.289 0.703 19882
1095 1 19 . 1 1 10 10 ALA H H 10 8.024 8.024 7.728 0.296 19882
1096 1 19 . 1 1 11 11 ALA HA H 11 4.210 4.210 4.511 -0.301 19882
1097 1 19 . 1 1 11 11 ALA CA C 11 53.176 53.176 51.813 1.363 19882
1098 1 19 . 1 1 11 11 ALA CB C 11 19.058 19.058 19.679 -0.621 19882
1099 1 19 . 1 1 11 11 ALA H H 11 7.574 7.574 7.635 -0.061 19882
1100 1 19 . 1 1 15 15 GLY CA C 15 43.727 43.727 46.952 -3.225 19882
1101 1 19 . 1 1 15 15 GLY H H 15 8.644 8.644 8.525 0.119 19882
1102 1 19 . 1 1 16 16 ALA HA H 16 4.265 4.265 4.000 0.265 19882
1103 1 19 . 1 1 16 16 ALA CA C 16 52.234 52.234 54.308 -2.074 19882
1104 1 19 . 1 1 16 16 ALA CB C 16 19.026 19.026 18.455 0.571 19882
1105 1 19 . 1 1 16 16 ALA H H 16 7.924 7.924 8.218 -0.294 19882
1106 1 19 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.751 0.081 19882
1107 1 19 . 1 1 17 17 ILE CA C 17 64.799 64.799 64.235 0.564 19882
1108 1 19 . 1 1 17 17 ILE CB C 17 37.547 37.547 37.503 0.044 19882
1109 1 19 . 1 1 17 17 ILE H H 17 7.929 7.929 8.117 -0.188 19882
1110 1 19 . 1 1 18 18 ALA HA H 18 4.092 4.092 4.102 -0.010 19882
1111 1 19 . 1 1 18 18 ALA CA C 18 55.128 55.128 54.858 0.270 19882
1112 1 19 . 1 1 18 18 ALA CB C 18 18.343 18.343 18.086 0.257 19882
1113 1 19 . 1 1 18 18 ALA H H 18 8.144 8.144 7.528 0.616 19882
1114 1 19 . 1 1 19 19 GLU HA H 19 4.052 4.052 4.072 -0.020 19882
1115 1 19 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.342 0.024 19882
1116 1 19 . 1 1 19 19 GLU CB C 19 29.649 29.649 29.863 -0.214 19882
1117 1 19 . 1 1 19 19 GLU H H 19 7.867 7.867 7.922 -0.055 19882
1118 1 19 . 1 1 20 20 HIS HA H 20 4.287 4.287 4.493 -0.206 19882
1119 1 19 . 1 1 20 20 HIS CA C 20 57.863 57.863 57.163 0.700 19882
1120 1 19 . 1 1 20 20 HIS CB C 20 28.931 28.931 30.189 -1.258 19882
1121 1 19 . 1 1 20 20 HIS H H 20 7.815 7.815 7.410 0.405 19882
1122 1 20 . 1 1 2 2 LEU HA H 2 4.032 4.032 4.609 -0.577 19882
1123 1 20 . 1 1 2 2 LEU CA C 2 57.749 57.749 55.248 2.501 19882
1124 1 20 . 1 1 2 2 LEU CB C 2 42.564 42.564 42.864 -0.300 19882
1125 1 20 . 1 1 3 3 PHE HA H 3 4.342 4.342 4.221 0.121 19882
1126 1 20 . 1 1 3 3 PHE CA C 3 60.583 60.583 60.962 -0.380 19882
1127 1 20 . 1 1 3 3 PHE CB C 3 38.215 38.215 38.349 -0.133 19882
1128 1 20 . 1 1 3 3 PHE H H 3 8.152 8.152 8.478 -0.326 19882
1129 1 20 . 1 1 4 4 GLY CA C 4 46.743 46.743 47.033 -0.290 19882
1130 1 20 . 1 1 4 4 GLY H H 4 8.056 8.056 8.797 -0.741 19882
1131 1 20 . 1 1 5 5 VAL HA H 5 3.802 3.802 3.884 -0.082 19882
1132 1 20 . 1 1 5 5 VAL CA C 5 65.719 65.719 64.329 1.390 19882
1133 1 20 . 1 1 5 5 VAL CB C 5 32.054 32.054 31.635 0.419 19882
1134 1 20 . 1 1 5 5 VAL H H 5 7.756 7.756 7.559 0.197 19882
1135 1 20 . 1 1 6 6 LEU HA H 6 4.018 4.018 3.942 0.076 19882
1136 1 20 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.847 -3.194 19882
1137 1 20 . 1 1 6 6 LEU CB C 6 41.250 41.250 41.534 -0.284 19882
1138 1 20 . 1 1 6 6 LEU H H 6 8.001 8.001 7.788 0.213 19882
1139 1 20 . 1 1 7 7 ALA HA H 7 4.036 4.036 4.091 -0.055 19882
1140 1 20 . 1 1 7 7 ALA CA C 7 54.677 54.677 54.339 0.338 19882
1141 1 20 . 1 1 7 7 ALA CB C 7 18.396 18.396 18.355 0.041 19882
1142 1 20 . 1 1 7 7 ALA H H 7 7.969 7.969 7.579 0.390 19882
1143 1 20 . 1 1 8 8 LYS HA H 8 4.163 4.163 4.041 0.122 19882
1144 1 20 . 1 1 8 8 LYS CA C 8 58.487 58.487 59.370 -0.883 19882
1145 1 20 . 1 1 8 8 LYS CB C 8 32.853 32.853 32.471 0.383 19882
1146 1 20 . 1 1 8 8 LYS H H 8 7.539 7.539 7.420 0.119 19882
1147 1 20 . 1 1 9 9 VAL HA H 9 3.941 3.941 3.817 0.124 19882
1148 1 20 . 1 1 9 9 VAL CA C 9 64.272 64.272 65.777 -1.505 19882
1149 1 20 . 1 1 9 9 VAL CB C 9 32.154 32.154 31.077 1.077 19882
1150 1 20 . 1 1 9 9 VAL H H 9 7.775 7.775 7.451 0.324 19882
1151 1 20 . 1 1 10 10 ALA HA H 10 4.187 4.187 4.099 0.088 19882
1152 1 20 . 1 1 10 10 ALA CA C 10 53.261 53.261 54.853 -1.592 19882
1153 1 20 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.440 0.552 19882
1154 1 20 . 1 1 10 10 ALA H H 10 8.024 8.024 7.836 0.188 19882
1155 1 20 . 1 1 11 11 ALA HA H 11 4.210 4.210 4.442 -0.232 19882
1156 1 20 . 1 1 11 11 ALA CA C 11 53.176 53.176 51.950 1.226 19882
1157 1 20 . 1 1 11 11 ALA CB C 11 19.058 19.058 19.147 -0.089 19882
1158 1 20 . 1 1 11 11 ALA H H 11 7.574 7.574 7.348 0.226 19882
1159 1 20 . 1 1 15 15 GLY CA C 15 43.727 43.727 46.893 -3.166 19882
1160 1 20 . 1 1 15 15 GLY H H 15 8.644 8.644 8.269 0.375 19882
1161 1 20 . 1 1 16 16 ALA HA H 16 4.265 4.265 3.932 0.333 19882
1162 1 20 . 1 1 16 16 ALA CA C 16 52.234 52.234 54.331 -2.097 19882
1163 1 20 . 1 1 16 16 ALA CB C 16 19.026 19.026 18.331 0.695 19882
1164 1 20 . 1 1 16 16 ALA H H 16 7.924 7.924 8.036 -0.112 19882
1165 1 20 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.781 0.051 19882
1166 1 20 . 1 1 17 17 ILE CA C 17 64.799 64.799 64.145 0.654 19882
1167 1 20 . 1 1 17 17 ILE CB C 17 37.547 37.547 37.251 0.296 19882
1168 1 20 . 1 1 17 17 ILE H H 17 7.929 7.929 7.950 -0.021 19882
1169 1 20 . 1 1 18 18 ALA HA H 18 4.092 4.092 3.894 0.198 19882
1170 1 20 . 1 1 18 18 ALA CA C 18 55.128 55.128 54.660 0.468 19882
1171 1 20 . 1 1 18 18 ALA CB C 18 18.343 18.343 18.034 0.309 19882
1172 1 20 . 1 1 18 18 ALA H H 18 8.144 8.144 7.430 0.714 19882
1173 1 20 . 1 1 19 19 GLU HA H 19 4.052 4.052 4.028 0.024 19882
1174 1 20 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.195 0.171 19882
1175 1 20 . 1 1 19 19 GLU CB C 19 29.649 29.649 29.859 -0.210 19882
1176 1 20 . 1 1 19 19 GLU H H 19 7.867 7.867 7.784 0.083 19882
1177 1 20 . 1 1 20 20 HIS HA H 20 4.287 4.287 4.590 -0.303 19882
1178 1 20 . 1 1 20 20 HIS CA C 20 57.863 57.863 57.266 0.598 19882
1179 1 20 . 1 1 20 20 HIS CB C 20 28.931 28.931 30.862 -1.931 19882
1180 1 20 . 1 1 20 20 HIS H H 20 7.815 7.815 7.502 0.313 19882
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 19882
2 1 1 "Average Difference" HA 18 0.169 -0.050 0.166 19882
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19882
4 1 1 "Average Difference" CA 16 1.499 0.576 1.429 19882
5 1 1 "Average Difference" CB 14 0.706 -0.030 0.732 19882
6 1 1 "Average Difference" HN 15 0.416 -0.206 0.374 19882
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19882
8 1 2 "Average Difference" HA 18 0.207 -0.081 0.196 19882
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19882
10 1 2 "Average Difference" CA 16 1.521 0.572 1.456 19882
11 1 2 "Average Difference" CB 14 0.551 0.015 0.571 19882
12 1 2 "Average Difference" HN 15 0.332 -0.151 0.306 19882
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19882
14 1 3 "Average Difference" HA 18 0.185 -0.040 0.186 19882
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19882
16 1 3 "Average Difference" CA 16 1.291 0.337 1.288 19882
17 1 3 "Average Difference" CB 14 0.754 0.041 0.782 19882
18 1 3 "Average Difference" HN 15 0.387 -0.030 0.399 19882
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19882
20 1 4 "Average Difference" HA 18 0.189 -0.096 0.168 19882
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19882
22 1 4 "Average Difference" CA 16 1.372 0.589 1.279 19882
23 1 4 "Average Difference" CB 14 0.658 -0.132 0.669 19882
24 1 4 "Average Difference" HN 15 0.294 -0.088 0.291 19882
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19882
26 1 5 "Average Difference" HA 18 0.243 -0.052 0.244 19882
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19882
28 1 5 "Average Difference" CA 16 1.405 0.349 1.406 19882
29 1 5 "Average Difference" CB 14 0.688 -0.069 0.711 19882
30 1 5 "Average Difference" HN 15 0.340 -0.136 0.323 19882
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19882
32 1 6 "Average Difference" HA 18 0.158 -0.044 0.156 19882
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19882
34 1 6 "Average Difference" CA 16 1.335 0.395 1.317 19882
35 1 6 "Average Difference" CB 14 0.757 -0.224 0.750 19882
36 1 6 "Average Difference" HN 15 0.308 -0.094 0.303 19882
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19882
38 1 7 "Average Difference" HA 18 0.251 -0.079 0.245 19882
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19882
40 1 7 "Average Difference" CA 16 1.377 0.471 1.336 19882
41 1 7 "Average Difference" CB 14 0.647 0.097 0.664 19882
42 1 7 "Average Difference" HN 15 0.361 -0.135 0.347 19882
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19882
44 1 8 "Average Difference" HA 18 0.186 -0.115 0.150 19882
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19882
46 1 8 "Average Difference" CA 16 1.553 0.707 1.428 19882
47 1 8 "Average Difference" CB 14 0.666 -0.058 0.688 19882
48 1 8 "Average Difference" HN 15 0.314 -0.164 0.277 19882
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19882
50 1 9 "Average Difference" HA 18 0.196 -0.067 0.189 19882
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19882
52 1 9 "Average Difference" CA 16 1.400 0.610 1.301 19882
53 1 9 "Average Difference" CB 14 0.652 0.139 0.661 19882
54 1 9 "Average Difference" HN 15 0.246 -0.097 0.234 19882
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19882
56 1 10 "Average Difference" HA 18 0.189 -0.046 0.188 19882
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19882
58 1 10 "Average Difference" CA 16 1.484 0.358 1.488 19882
59 1 10 "Average Difference" CB 14 0.685 0.002 0.711 19882
60 1 10 "Average Difference" HN 15 0.380 -0.188 0.342 19882
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19882
62 1 11 "Average Difference" HA 18 0.168 -0.026 0.171 19882
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19882
64 1 11 "Average Difference" CA 16 1.376 0.503 1.322 19882
65 1 11 "Average Difference" CB 14 0.611 -0.100 0.626 19882
66 1 11 "Average Difference" HN 15 0.317 -0.134 0.297 19882
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19882
68 1 12 "Average Difference" HA 18 0.158 0.007 0.162 19882
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19882
70 1 12 "Average Difference" CA 16 1.317 0.332 1.316 19882
71 1 12 "Average Difference" CB 14 0.780 -0.111 0.801 19882
72 1 12 "Average Difference" HN 15 0.357 -0.030 0.368 19882
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19882
74 1 13 "Average Difference" HA 18 0.215 -0.108 0.191 19882
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19882
76 1 13 "Average Difference" CA 16 1.482 0.507 1.438 19882
77 1 13 "Average Difference" CB 14 0.768 -0.052 0.795 19882
78 1 13 "Average Difference" HN 15 0.404 -0.138 0.394 19882
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19882
80 1 14 "Average Difference" HA 18 0.191 -0.077 0.180 19882
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19882
82 1 14 "Average Difference" CA 16 1.569 0.558 1.515 19882
83 1 14 "Average Difference" CB 14 0.616 -0.064 0.636 19882
84 1 14 "Average Difference" HN 15 0.366 -0.176 0.333 19882
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19882
86 1 15 "Average Difference" HA 18 0.209 -0.055 0.207 19882
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19882
88 1 15 "Average Difference" CA 16 1.576 0.450 1.560 19882
89 1 15 "Average Difference" CB 14 0.817 -0.068 0.845 19882
90 1 15 "Average Difference" HN 15 0.363 -0.093 0.363 19882
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19882
92 1 16 "Average Difference" HA 18 0.226 -0.048 0.227 19882
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19882
94 1 16 "Average Difference" CA 16 1.329 0.546 1.252 19882
95 1 16 "Average Difference" CB 14 0.713 0.129 0.727 19882
96 1 16 "Average Difference" HN 15 0.377 -0.034 0.388 19882
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19882
98 1 17 "Average Difference" HA 18 0.182 -0.005 0.187 19882
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19882
100 1 17 "Average Difference" CA 16 1.614 0.530 1.574 19882
101 1 17 "Average Difference" CB 14 0.736 -0.112 0.755 19882
102 1 17 "Average Difference" HN 15 0.270 -0.047 0.275 19882
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19882
104 1 18 "Average Difference" HA 18 0.186 -0.032 0.189 19882
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19882
106 1 18 "Average Difference" CA 16 1.448 0.411 1.434 19882
107 1 18 "Average Difference" CB 14 0.887 -0.138 0.909 19882
108 1 18 "Average Difference" HN 15 0.363 -0.175 0.329 19882
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19882
110 1 19 "Average Difference" HA 18 0.193 -0.073 0.183 19882
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19882
112 1 19 "Average Difference" CA 16 1.457 0.399 1.448 19882
113 1 19 "Average Difference" CB 14 0.541 -0.009 0.562 19882
114 1 19 "Average Difference" HN 15 0.316 -0.128 0.299 19882
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19882
116 1 20 "Average Difference" HA 18 0.230 -0.043 0.233 19882
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19882
118 1 20 "Average Difference" CA 16 1.606 0.360 1.617 19882
119 1 20 "Average Difference" CB 14 0.677 -0.059 0.700 19882
120 1 20 "Average Difference" HN 15 0.353 -0.130 0.340 19882
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 19882
_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 LEU HA H 2 4.032 4.032 4.260 -0.228 19882
2 1 . 1 1 2 2 LEU CA C 2 57.749 57.749 56.527 1.222 19882
3 1 . 1 1 2 2 LEU CB C 2 42.564 42.564 42.084 0.480 19882
4 1 . 1 1 3 3 PHE HA H 3 4.342 4.342 4.295 0.047 19882
5 1 . 1 1 3 3 PHE CA C 3 60.583 60.583 60.701 -0.118 19882
6 1 . 1 1 3 3 PHE CB C 3 38.215 38.215 38.611 -0.396 19882
7 1 . 1 1 3 3 PHE H H 3 8.152 8.152 8.399 -0.247 19882
8 1 . 1 1 4 4 GLY CA C 4 46.743 46.743 46.662 0.081 19882
9 1 . 1 1 4 4 GLY H H 4 8.056 8.056 8.073 -0.017 19882
10 1 . 1 1 5 5 VAL HA H 5 3.802 3.802 3.821 -0.019 19882
11 1 . 1 1 5 5 VAL CA C 5 65.719 65.719 64.706 1.013 19882
12 1 . 1 1 5 5 VAL CB C 5 32.054 32.054 31.726 0.329 19882
13 1 . 1 1 5 5 VAL H H 5 7.756 7.756 7.544 0.212 19882
14 1 . 1 1 6 6 LEU HA H 6 4.018 4.018 4.073 -0.055 19882
15 1 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.371 -2.718 19882
16 1 . 1 1 6 6 LEU CB C 6 41.250 41.250 41.755 -0.505 19882
17 1 . 1 1 6 6 LEU H H 6 8.001 8.001 7.712 0.289 19882
18 1 . 1 1 7 7 ALA HA H 7 4.036 4.036 4.072 -0.036 19882
19 1 . 1 1 7 7 ALA CA C 7 54.677 54.677 54.521 0.156 19882
20 1 . 1 1 7 7 ALA CB C 7 18.396 18.396 18.271 0.124 19882
21 1 . 1 1 7 7 ALA H H 7 7.969 7.969 7.695 0.274 19882
22 1 . 1 1 8 8 LYS HA H 8 4.163 4.163 4.057 0.106 19882
23 1 . 1 1 8 8 LYS CA C 8 58.487 58.487 58.973 -0.486 19882
24 1 . 1 1 8 8 LYS CB C 8 32.853 32.853 32.190 0.663 19882
25 1 . 1 1 8 8 LYS H H 8 7.539 7.539 7.647 -0.108 19882
26 1 . 1 1 9 9 VAL HA H 9 3.941 3.941 3.841 0.100 19882
27 1 . 1 1 9 9 VAL CA C 9 64.272 64.272 65.470 -1.198 19882
28 1 . 1 1 9 9 VAL CB C 9 32.154 32.154 31.394 0.760 19882
29 1 . 1 1 9 9 VAL H H 9 7.775 7.775 7.479 0.296 19882
30 1 . 1 1 10 10 ALA HA H 10 4.187 4.187 4.143 0.044 19882
31 1 . 1 1 10 10 ALA CA C 10 53.261 53.261 54.475 -1.214 19882
32 1 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.591 0.401 19882
33 1 . 1 1 10 10 ALA H H 10 8.024 8.024 7.586 0.438 19882
34 1 . 1 1 11 11 ALA HA H 11 4.210 4.210 4.306 -0.096 19882
35 1 . 1 1 11 11 ALA CA C 11 53.176 53.176 53.099 0.077 19882
36 1 . 1 1 11 11 ALA CB C 11 19.058 19.058 19.418 -0.360 19882
37 1 . 1 1 11 11 ALA H H 11 7.574 7.574 7.588 -0.014 19882
38 1 . 1 1 15 15 GLY CA C 15 43.727 43.727 46.969 -3.242 19882
39 1 . 1 1 15 15 GLY H H 15 8.644 8.644 8.335 0.309 19882
40 1 . 1 1 16 16 ALA HA H 16 4.265 4.265 4.016 0.249 19882
41 1 . 1 1 16 16 ALA CA C 16 52.234 52.234 54.680 -2.446 19882
42 1 . 1 1 16 16 ALA CB C 16 19.026 19.026 18.423 0.603 19882
43 1 . 1 1 16 16 ALA H H 16 7.924 7.924 7.922 0.002 19882
44 1 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.768 0.064 19882
45 1 . 1 1 17 17 ILE CA C 17 64.799 64.799 64.283 0.516 19882
46 1 . 1 1 17 17 ILE CB C 17 37.547 37.547 37.356 0.191 19882
47 1 . 1 1 17 17 ILE H H 17 7.929 7.929 7.971 -0.042 19882
48 1 . 1 1 18 18 ALA HA H 18 4.092 4.092 4.088 0.004 19882
49 1 . 1 1 18 18 ALA CA C 18 55.128 55.128 54.921 0.207 19882
50 1 . 1 1 18 18 ALA CB C 18 18.343 18.343 18.101 0.242 19882
51 1 . 1 1 18 18 ALA H H 18 8.144 8.144 7.872 0.272 19882
52 1 . 1 1 19 19 GLU HA H 19 4.052 4.052 4.068 -0.016 19882
53 1 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.466 -0.100 19882
54 1 . 1 1 19 19 GLU CB C 19 29.649 29.649 29.852 -0.203 19882
55 1 . 1 1 19 19 GLU H H 19 7.867 7.867 8.066 -0.199 19882
56 1 . 1 1 20 20 HIS HA H 20 4.287 4.287 4.471 -0.184 19882
57 1 . 1 1 20 20 HIS CA C 20 57.863 57.863 57.263 0.600 19882
58 1 . 1 1 20 20 HIS CB C 20 28.931 28.931 30.699 -1.768 19882
59 1 . 1 1 20 20 HIS H H 20 7.815 7.815 7.500 0.316 19882
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save_