data_19828
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19828
_Entry.PDB_ID 2MLO
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 19828
_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 LYS HA H 2 4.208 4.208 4.259 -0.051 19828
2 1 1 . 1 1 2 2 LYS CA C 2 57.604 57.604 56.689 0.915 19828
3 1 1 . 1 1 2 2 LYS CB C 2 32.800 32.800 32.230 0.570 19828
4 1 1 . 1 1 3 3 PHE N N 3 120.909 120.909 122.502 -1.593 19828
5 1 1 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.486 -0.070 19828
6 1 1 . 1 1 3 3 PHE CA C 3 60.640 60.640 59.223 1.417 19828
7 1 1 . 1 1 3 3 PHE CB C 3 38.442 38.442 39.142 -0.701 19828
8 1 1 . 1 1 3 3 PHE H H 3 8.980 8.980 8.370 0.610 19828
9 1 1 . 1 1 4 4 ARG N N 4 119.516 119.516 120.696 -1.180 19828
10 1 1 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.630 0.234 19828
11 1 1 . 1 1 4 4 ARG CA C 4 59.263 59.263 58.381 0.882 19828
12 1 1 . 1 1 4 4 ARG CB C 4 29.457 29.457 28.805 0.652 19828
13 1 1 . 1 1 4 4 ARG H H 4 8.986 8.986 7.525 1.461 19828
14 1 1 . 1 1 5 5 ARG N N 5 119.466 119.466 119.224 0.242 19828
15 1 1 . 1 1 5 5 ARG HA H 5 4.125 4.125 3.970 0.155 19828
16 1 1 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.461 -0.035 19828
17 1 1 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.226 0.040 19828
18 1 1 . 1 1 5 5 ARG H H 5 7.997 7.997 7.665 0.332 19828
19 1 1 . 1 1 6 6 TYR N N 6 118.856 118.856 117.574 1.282 19828
20 1 1 . 1 1 6 6 TYR CB C 6 37.706 37.706 38.081 -0.375 19828
21 1 1 . 1 1 6 6 TYR H H 6 7.995 7.995 7.797 0.198 19828
22 1 1 . 1 1 7 7 LEU N N 7 117.830 117.830 119.265 -1.435 19828
23 1 1 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.293 -0.157 19828
24 1 1 . 1 1 7 7 LEU CA C 7 57.261 57.261 57.254 0.007 19828
25 1 1 . 1 1 7 7 LEU CB C 7 41.612 41.612 40.881 0.731 19828
26 1 1 . 1 1 7 7 LEU H H 7 8.106 8.106 7.424 0.682 19828
27 1 1 . 1 1 8 8 SER N N 8 113.703 113.703 114.597 -0.894 19828
28 1 1 . 1 1 8 8 SER HA H 8 4.191 4.191 4.321 -0.130 19828
29 1 1 . 1 1 8 8 SER CA C 8 61.537 61.537 61.537 -0.000 19828
30 1 1 . 1 1 8 8 SER CB C 8 62.607 62.607 63.854 -1.247 19828
31 1 1 . 1 1 8 8 SER H H 8 8.090 8.090 7.781 0.309 19828
32 1 1 . 1 1 9 9 VAL N N 9 120.306 120.306 119.776 0.530 19828
33 1 1 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.793 -0.074 19828
34 1 1 . 1 1 9 9 VAL CA C 9 65.380 65.380 65.999 -0.619 19828
35 1 1 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.383 0.029 19828
36 1 1 . 1 1 9 9 VAL H H 9 7.756 7.756 7.720 0.036 19828
37 1 1 . 1 1 10 10 PHE N N 10 119.347 119.347 121.476 -2.129 19828
38 1 1 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.325 -0.111 19828
39 1 1 . 1 1 10 10 PHE CA C 10 60.757 60.757 61.215 -0.458 19828
40 1 1 . 1 1 10 10 PHE CB C 10 39.205 39.205 39.067 0.138 19828
41 1 1 . 1 1 10 10 PHE H H 10 7.903 7.903 7.889 0.014 19828
42 1 1 . 1 1 11 11 PHE N N 11 116.549 116.549 117.944 -1.395 19828
43 1 1 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.289 0.062 19828
44 1 1 . 1 1 11 11 PHE CA C 11 59.844 59.844 60.816 -0.972 19828
45 1 1 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.303 -0.311 19828
46 1 1 . 1 1 11 11 PHE H H 11 8.353 8.353 8.093 0.260 19828
47 1 1 . 1 1 12 12 ARG N N 12 118.598 118.598 119.315 -0.717 19828
48 1 1 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.150 -0.025 19828
49 1 1 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.725 0.030 19828
50 1 1 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.586 0.213 19828
51 1 1 . 1 1 12 12 ARG H H 12 8.054 8.054 7.790 0.264 19828
52 1 1 . 1 1 13 13 LYS N N 13 118.191 118.191 118.380 -0.189 19828
53 1 1 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.065 0.042 19828
54 1 1 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.719 -1.771 19828
55 1 1 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.401 -0.017 19828
56 1 1 . 1 1 13 13 LYS H H 13 7.985 7.985 8.083 -0.098 19828
57 1 1 . 1 1 14 14 HIS N N 14 116.316 116.316 115.493 0.823 19828
58 1 1 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.439 0.191 19828
59 1 1 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.678 -1.240 19828
60 1 1 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.850 -0.065 19828
61 1 1 . 1 1 14 14 HIS H H 14 7.824 7.824 7.505 0.319 19828
62 1 1 . 1 1 15 15 ILE N N 15 119.074 119.074 120.492 -1.418 19828
63 1 1 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.824 0.490 19828
64 1 1 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.305 -3.749 19828
65 1 1 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.169 -0.302 19828
66 1 1 . 1 1 15 15 ILE H H 15 7.857 7.857 8.314 -0.457 19828
67 1 2 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.713 -0.505 19828
68 1 2 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.452 2.152 19828
69 1 2 . 1 1 2 2 LYS CB C 2 32.800 32.800 33.382 -0.582 19828
70 1 2 . 1 1 3 3 PHE N N 3 120.909 120.909 126.649 -5.740 19828
71 1 2 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.222 0.194 19828
72 1 2 . 1 1 3 3 PHE CA C 3 60.640 60.640 60.212 0.428 19828
73 1 2 . 1 1 3 3 PHE CB C 3 38.442 38.442 38.777 -0.335 19828
74 1 2 . 1 1 3 3 PHE H H 3 8.980 8.980 9.150 -0.170 19828
75 1 2 . 1 1 4 4 ARG N N 4 119.516 119.516 118.866 0.650 19828
76 1 2 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.668 0.196 19828
77 1 2 . 1 1 4 4 ARG CA C 4 59.263 59.263 58.361 0.902 19828
78 1 2 . 1 1 4 4 ARG CB C 4 29.457 29.457 28.710 0.747 19828
79 1 2 . 1 1 4 4 ARG H H 4 8.986 8.986 7.582 1.404 19828
80 1 2 . 1 1 5 5 ARG N N 5 119.466 119.466 119.570 -0.104 19828
81 1 2 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.053 0.072 19828
82 1 2 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.457 -0.031 19828
83 1 2 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.280 -0.014 19828
84 1 2 . 1 1 5 5 ARG H H 5 7.997 7.997 7.874 0.123 19828
85 1 2 . 1 1 6 6 TYR N N 6 118.856 118.856 117.661 1.195 19828
86 1 2 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.478 0.228 19828
87 1 2 . 1 1 6 6 TYR H H 6 7.995 7.995 7.417 0.578 19828
88 1 2 . 1 1 7 7 LEU N N 7 117.830 117.830 117.692 0.138 19828
89 1 2 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.227 -0.091 19828
90 1 2 . 1 1 7 7 LEU CA C 7 57.261 57.261 57.924 -0.663 19828
91 1 2 . 1 1 7 7 LEU CB C 7 41.612 41.612 41.943 -0.331 19828
92 1 2 . 1 1 7 7 LEU H H 7 8.106 8.106 7.551 0.555 19828
93 1 2 . 1 1 8 8 SER N N 8 113.703 113.703 115.717 -2.014 19828
94 1 2 . 1 1 8 8 SER HA H 8 4.191 4.191 4.505 -0.314 19828
95 1 2 . 1 1 8 8 SER CA C 8 61.537 61.537 61.702 -0.165 19828
96 1 2 . 1 1 8 8 SER CB C 8 62.607 62.607 63.600 -0.993 19828
97 1 2 . 1 1 8 8 SER H H 8 8.090 8.090 7.798 0.292 19828
98 1 2 . 1 1 9 9 VAL N N 9 120.306 120.306 118.537 1.769 19828
99 1 2 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.831 -0.112 19828
100 1 2 . 1 1 9 9 VAL CA C 9 65.380 65.380 65.792 -0.412 19828
101 1 2 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.305 0.107 19828
102 1 2 . 1 1 9 9 VAL H H 9 7.756 7.756 8.407 -0.651 19828
103 1 2 . 1 1 10 10 PHE N N 10 119.347 119.347 120.918 -1.571 19828
104 1 2 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.200 0.014 19828
105 1 2 . 1 1 10 10 PHE CA C 10 60.757 60.757 60.934 -0.177 19828
106 1 2 . 1 1 10 10 PHE CB C 10 39.205 39.205 39.145 0.060 19828
107 1 2 . 1 1 10 10 PHE H H 10 7.903 7.903 7.884 0.019 19828
108 1 2 . 1 1 11 11 PHE N N 11 116.549 116.549 118.346 -1.797 19828
109 1 2 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.208 0.143 19828
110 1 2 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.466 -1.622 19828
111 1 2 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.360 -0.368 19828
112 1 2 . 1 1 11 11 PHE H H 11 8.353 8.353 7.737 0.616 19828
113 1 2 . 1 1 12 12 ARG N N 12 118.598 118.598 119.418 -0.820 19828
114 1 2 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.194 -0.069 19828
115 1 2 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.578 0.177 19828
116 1 2 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.607 0.192 19828
117 1 2 . 1 1 12 12 ARG H H 12 8.054 8.054 7.915 0.139 19828
118 1 2 . 1 1 13 13 LYS N N 13 118.191 118.191 119.323 -1.132 19828
119 1 2 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.014 0.093 19828
120 1 2 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.707 -1.759 19828
121 1 2 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.025 0.359 19828
122 1 2 . 1 1 13 13 LYS H H 13 7.985 7.985 8.039 -0.054 19828
123 1 2 . 1 1 14 14 HIS N N 14 116.316 116.316 115.210 1.106 19828
124 1 2 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.386 0.244 19828
125 1 2 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.861 -1.423 19828
126 1 2 . 1 1 14 14 HIS CB C 14 30.785 30.785 29.939 0.846 19828
127 1 2 . 1 1 14 14 HIS H H 14 7.824 7.824 7.586 0.238 19828
128 1 2 . 1 1 15 15 ILE N N 15 119.074 119.074 120.289 -1.215 19828
129 1 2 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.889 0.425 19828
130 1 2 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.069 -3.513 19828
131 1 2 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.154 -0.287 19828
132 1 2 . 1 1 15 15 ILE H H 15 7.857 7.857 8.517 -0.660 19828
133 1 3 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.498 -0.290 19828
134 1 3 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.828 1.776 19828
135 1 3 . 1 1 2 2 LYS CB C 2 32.800 32.800 33.164 -0.364 19828
136 1 3 . 1 1 3 3 PHE N N 3 120.909 120.909 119.548 1.361 19828
137 1 3 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.500 -0.084 19828
138 1 3 . 1 1 3 3 PHE CA C 3 60.640 60.640 59.639 1.001 19828
139 1 3 . 1 1 3 3 PHE CB C 3 38.442 38.442 38.924 -0.482 19828
140 1 3 . 1 1 3 3 PHE H H 3 8.980 8.980 8.607 0.373 19828
141 1 3 . 1 1 4 4 ARG N N 4 119.516 119.516 119.851 -0.335 19828
142 1 3 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.666 0.198 19828
143 1 3 . 1 1 4 4 ARG CA C 4 59.263 59.263 58.320 0.943 19828
144 1 3 . 1 1 4 4 ARG CB C 4 29.457 29.457 28.401 1.056 19828
145 1 3 . 1 1 4 4 ARG H H 4 8.986 8.986 7.662 1.324 19828
146 1 3 . 1 1 5 5 ARG N N 5 119.466 119.466 119.591 -0.125 19828
147 1 3 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.004 0.121 19828
148 1 3 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.558 -0.132 19828
149 1 3 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.156 0.110 19828
150 1 3 . 1 1 5 5 ARG H H 5 7.997 7.997 7.517 0.480 19828
151 1 3 . 1 1 6 6 TYR N N 6 118.856 118.856 117.948 0.908 19828
152 1 3 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.835 -0.129 19828
153 1 3 . 1 1 6 6 TYR H H 6 7.995 7.995 7.576 0.419 19828
154 1 3 . 1 1 7 7 LEU N N 7 117.830 117.830 117.969 -0.139 19828
155 1 3 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.137 -0.001 19828
156 1 3 . 1 1 7 7 LEU CA C 7 57.261 57.261 56.753 0.508 19828
157 1 3 . 1 1 7 7 LEU CB C 7 41.612 41.612 40.901 0.711 19828
158 1 3 . 1 1 7 7 LEU H H 7 8.106 8.106 7.239 0.867 19828
159 1 3 . 1 1 8 8 SER N N 8 113.703 113.703 114.929 -1.226 19828
160 1 3 . 1 1 8 8 SER HA H 8 4.191 4.191 4.439 -0.248 19828
161 1 3 . 1 1 8 8 SER CA C 8 61.537 61.537 61.270 0.267 19828
162 1 3 . 1 1 8 8 SER CB C 8 62.607 62.607 63.964 -1.357 19828
163 1 3 . 1 1 8 8 SER H H 8 8.090 8.090 7.772 0.318 19828
164 1 3 . 1 1 9 9 VAL N N 9 120.306 120.306 119.484 0.822 19828
165 1 3 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.800 -0.081 19828
166 1 3 . 1 1 9 9 VAL CA C 9 65.380 65.380 66.593 -1.213 19828
167 1 3 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.032 0.380 19828
168 1 3 . 1 1 9 9 VAL H H 9 7.756 7.756 8.752 -0.996 19828
169 1 3 . 1 1 10 10 PHE N N 10 119.347 119.347 119.713 -0.366 19828
170 1 3 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.297 -0.083 19828
171 1 3 . 1 1 10 10 PHE CA C 10 60.757 60.757 61.038 -0.281 19828
172 1 3 . 1 1 10 10 PHE CB C 10 39.205 39.205 38.401 0.804 19828
173 1 3 . 1 1 10 10 PHE H H 10 7.903 7.903 8.052 -0.149 19828
174 1 3 . 1 1 11 11 PHE N N 11 116.549 116.549 118.642 -2.093 19828
175 1 3 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.493 -0.142 19828
176 1 3 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.543 -1.699 19828
177 1 3 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.394 -0.402 19828
178 1 3 . 1 1 11 11 PHE H H 11 8.353 8.353 8.492 -0.139 19828
179 1 3 . 1 1 12 12 ARG N N 12 118.598 118.598 119.501 -0.903 19828
180 1 3 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.237 -0.112 19828
181 1 3 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.534 0.221 19828
182 1 3 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.701 0.098 19828
183 1 3 . 1 1 12 12 ARG H H 12 8.054 8.054 8.062 -0.008 19828
184 1 3 . 1 1 13 13 LYS N N 13 118.191 118.191 118.921 -0.730 19828
185 1 3 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.056 0.051 19828
186 1 3 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.839 -1.891 19828
187 1 3 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.254 0.130 19828
188 1 3 . 1 1 13 13 LYS H H 13 7.985 7.985 8.218 -0.233 19828
189 1 3 . 1 1 14 14 HIS N N 14 116.316 116.316 115.809 0.507 19828
190 1 3 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.449 0.181 19828
191 1 3 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.950 -1.512 19828
192 1 3 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.460 0.325 19828
193 1 3 . 1 1 14 14 HIS H H 14 7.824 7.824 7.763 0.061 19828
194 1 3 . 1 1 15 15 ILE N N 15 119.074 119.074 120.483 -1.409 19828
195 1 3 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.889 0.425 19828
196 1 3 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.013 -3.458 19828
197 1 3 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.185 -0.318 19828
198 1 3 . 1 1 15 15 ILE H H 15 7.857 7.857 8.378 -0.521 19828
199 1 4 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.582 -0.374 19828
200 1 4 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.765 1.839 19828
201 1 4 . 1 1 2 2 LYS CB C 2 32.800 32.800 32.502 0.298 19828
202 1 4 . 1 1 3 3 PHE N N 3 120.909 120.909 122.329 -1.420 19828
203 1 4 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.478 -0.062 19828
204 1 4 . 1 1 3 3 PHE CA C 3 60.640 60.640 59.210 1.430 19828
205 1 4 . 1 1 3 3 PHE CB C 3 38.442 38.442 39.424 -0.982 19828
206 1 4 . 1 1 3 3 PHE H H 3 8.980 8.980 8.727 0.253 19828
207 1 4 . 1 1 4 4 ARG N N 4 119.516 119.516 119.900 -0.384 19828
208 1 4 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.624 0.240 19828
209 1 4 . 1 1 4 4 ARG CA C 4 59.263 59.263 58.271 0.992 19828
210 1 4 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.030 0.426 19828
211 1 4 . 1 1 4 4 ARG H H 4 8.986 8.986 7.502 1.484 19828
212 1 4 . 1 1 5 5 ARG N N 5 119.466 119.466 119.255 0.211 19828
213 1 4 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.010 0.115 19828
214 1 4 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.512 -0.086 19828
215 1 4 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.102 0.164 19828
216 1 4 . 1 1 5 5 ARG H H 5 7.997 7.997 7.576 0.421 19828
217 1 4 . 1 1 6 6 TYR N N 6 118.856 118.856 118.336 0.520 19828
218 1 4 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.661 0.045 19828
219 1 4 . 1 1 6 6 TYR H H 6 7.995 7.995 7.365 0.630 19828
220 1 4 . 1 1 7 7 LEU N N 7 117.830 117.830 117.263 0.567 19828
221 1 4 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.397 -0.261 19828
222 1 4 . 1 1 7 7 LEU CA C 7 57.261 57.261 57.050 0.211 19828
223 1 4 . 1 1 7 7 LEU CB C 7 41.612 41.612 40.828 0.784 19828
224 1 4 . 1 1 7 7 LEU H H 7 8.106 8.106 7.425 0.681 19828
225 1 4 . 1 1 8 8 SER N N 8 113.703 113.703 115.014 -1.311 19828
226 1 4 . 1 1 8 8 SER HA H 8 4.191 4.191 4.336 -0.145 19828
227 1 4 . 1 1 8 8 SER CA C 8 61.537 61.537 61.091 0.446 19828
228 1 4 . 1 1 8 8 SER CB C 8 62.607 62.607 63.523 -0.916 19828
229 1 4 . 1 1 8 8 SER H H 8 8.090 8.090 7.563 0.527 19828
230 1 4 . 1 1 9 9 VAL N N 9 120.306 120.306 119.214 1.092 19828
231 1 4 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.800 -0.081 19828
232 1 4 . 1 1 9 9 VAL CA C 9 65.380 65.380 66.181 -0.801 19828
233 1 4 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.382 0.030 19828
234 1 4 . 1 1 9 9 VAL H H 9 7.756 7.756 8.674 -0.918 19828
235 1 4 . 1 1 10 10 PHE N N 10 119.347 119.347 121.262 -1.915 19828
236 1 4 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.317 -0.103 19828
237 1 4 . 1 1 10 10 PHE CA C 10 60.757 60.757 61.227 -0.470 19828
238 1 4 . 1 1 10 10 PHE CB C 10 39.205 39.205 39.428 -0.223 19828
239 1 4 . 1 1 10 10 PHE H H 10 7.903 7.903 7.896 0.007 19828
240 1 4 . 1 1 11 11 PHE N N 11 116.549 116.549 118.696 -2.147 19828
241 1 4 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.220 0.131 19828
242 1 4 . 1 1 11 11 PHE CA C 11 59.844 59.844 60.324 -0.480 19828
243 1 4 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.193 -0.201 19828
244 1 4 . 1 1 11 11 PHE H H 11 8.353 8.353 7.855 0.498 19828
245 1 4 . 1 1 12 12 ARG N N 12 118.598 118.598 119.284 -0.686 19828
246 1 4 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.149 -0.024 19828
247 1 4 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.867 -0.112 19828
248 1 4 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.660 0.139 19828
249 1 4 . 1 1 12 12 ARG H H 12 8.054 8.054 8.125 -0.071 19828
250 1 4 . 1 1 13 13 LYS N N 13 118.191 118.191 118.536 -0.345 19828
251 1 4 . 1 1 13 13 LYS HA H 13 4.107 4.107 3.965 0.142 19828
252 1 4 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.511 -1.563 19828
253 1 4 . 1 1 13 13 LYS CB C 13 32.384 32.384 31.945 0.439 19828
254 1 4 . 1 1 13 13 LYS H H 13 7.985 7.985 7.775 0.210 19828
255 1 4 . 1 1 14 14 HIS N N 14 116.316 116.316 115.493 0.823 19828
256 1 4 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.419 0.211 19828
257 1 4 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.484 -1.046 19828
258 1 4 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.191 0.594 19828
259 1 4 . 1 1 14 14 HIS H H 14 7.824 7.824 7.375 0.449 19828
260 1 4 . 1 1 15 15 ILE N N 15 119.074 119.074 120.582 -1.508 19828
261 1 4 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.833 0.481 19828
262 1 4 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.224 -3.668 19828
263 1 4 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.071 -0.204 19828
264 1 4 . 1 1 15 15 ILE H H 15 7.857 7.857 8.295 -0.438 19828
265 1 5 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.624 -0.416 19828
266 1 5 . 1 1 2 2 LYS CA C 2 57.604 57.604 54.633 2.971 19828
267 1 5 . 1 1 2 2 LYS CB C 2 32.800 32.800 34.455 -1.655 19828
268 1 5 . 1 1 3 3 PHE N N 3 120.909 120.909 121.204 -0.295 19828
269 1 5 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.427 -0.011 19828
270 1 5 . 1 1 3 3 PHE CA C 3 60.640 60.640 60.173 0.467 19828
271 1 5 . 1 1 3 3 PHE CB C 3 38.442 38.442 38.645 -0.203 19828
272 1 5 . 1 1 3 3 PHE H H 3 8.980 8.980 8.902 0.078 19828
273 1 5 . 1 1 4 4 ARG N N 4 119.516 119.516 119.339 0.177 19828
274 1 5 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.524 0.340 19828
275 1 5 . 1 1 4 4 ARG CA C 4 59.263 59.263 59.075 0.188 19828
276 1 5 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.103 0.354 19828
277 1 5 . 1 1 4 4 ARG H H 4 8.986 8.986 7.684 1.302 19828
278 1 5 . 1 1 5 5 ARG N N 5 119.466 119.466 119.488 -0.022 19828
279 1 5 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.061 0.064 19828
280 1 5 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.375 0.051 19828
281 1 5 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.811 -0.545 19828
282 1 5 . 1 1 5 5 ARG H H 5 7.997 7.997 7.382 0.615 19828
283 1 5 . 1 1 6 6 TYR N N 6 118.856 118.856 118.431 0.425 19828
284 1 5 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.846 -0.140 19828
285 1 5 . 1 1 6 6 TYR H H 6 7.995 7.995 7.400 0.595 19828
286 1 5 . 1 1 7 7 LEU N N 7 117.830 117.830 117.934 -0.104 19828
287 1 5 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.009 0.127 19828
288 1 5 . 1 1 7 7 LEU CA C 7 57.261 57.261 56.890 0.371 19828
289 1 5 . 1 1 7 7 LEU CB C 7 41.612 41.612 41.825 -0.213 19828
290 1 5 . 1 1 7 7 LEU H H 7 8.106 8.106 7.776 0.330 19828
291 1 5 . 1 1 8 8 SER N N 8 113.703 113.703 115.002 -1.299 19828
292 1 5 . 1 1 8 8 SER HA H 8 4.191 4.191 4.336 -0.145 19828
293 1 5 . 1 1 8 8 SER CA C 8 61.537 61.537 61.239 0.298 19828
294 1 5 . 1 1 8 8 SER CB C 8 62.607 62.607 64.004 -1.397 19828
295 1 5 . 1 1 8 8 SER H H 8 8.090 8.090 7.469 0.621 19828
296 1 5 . 1 1 9 9 VAL N N 9 120.306 120.306 118.893 1.413 19828
297 1 5 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.785 -0.066 19828
298 1 5 . 1 1 9 9 VAL CA C 9 65.380 65.380 66.165 -0.785 19828
299 1 5 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.517 -0.105 19828
300 1 5 . 1 1 9 9 VAL H H 9 7.756 7.756 8.438 -0.682 19828
301 1 5 . 1 1 10 10 PHE N N 10 119.347 119.347 118.994 0.353 19828
302 1 5 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.321 -0.107 19828
303 1 5 . 1 1 10 10 PHE CA C 10 60.757 60.757 60.703 0.054 19828
304 1 5 . 1 1 10 10 PHE CB C 10 39.205 39.205 38.799 0.406 19828
305 1 5 . 1 1 10 10 PHE H H 10 7.903 7.903 7.975 -0.072 19828
306 1 5 . 1 1 11 11 PHE N N 11 116.549 116.549 118.737 -2.188 19828
307 1 5 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.390 -0.039 19828
308 1 5 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.166 -1.322 19828
309 1 5 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.264 -0.272 19828
310 1 5 . 1 1 11 11 PHE H H 11 8.353 8.353 8.559 -0.206 19828
311 1 5 . 1 1 12 12 ARG N N 12 118.598 118.598 119.302 -0.704 19828
312 1 5 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.207 -0.082 19828
313 1 5 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.663 0.092 19828
314 1 5 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.665 0.134 19828
315 1 5 . 1 1 12 12 ARG H H 12 8.054 8.054 8.152 -0.098 19828
316 1 5 . 1 1 13 13 LYS N N 13 118.191 118.191 119.140 -0.949 19828
317 1 5 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.065 0.042 19828
318 1 5 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.674 -1.726 19828
319 1 5 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.210 0.174 19828
320 1 5 . 1 1 13 13 LYS H H 13 7.985 7.985 8.006 -0.021 19828
321 1 5 . 1 1 14 14 HIS N N 14 116.316 116.316 115.920 0.396 19828
322 1 5 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.431 0.199 19828
323 1 5 . 1 1 14 14 HIS CA C 14 56.438 56.438 58.010 -1.572 19828
324 1 5 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.444 0.341 19828
325 1 5 . 1 1 14 14 HIS H H 14 7.824 7.824 7.739 0.085 19828
326 1 5 . 1 1 15 15 ILE N N 15 119.074 119.074 120.248 -1.174 19828
327 1 5 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.895 0.419 19828
328 1 5 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.131 -3.575 19828
329 1 5 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.262 -0.395 19828
330 1 5 . 1 1 15 15 ILE H H 15 7.857 7.857 8.440 -0.583 19828
331 1 6 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.582 -0.374 19828
332 1 6 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.726 1.878 19828
333 1 6 . 1 1 2 2 LYS CB C 2 32.800 32.800 31.975 0.825 19828
334 1 6 . 1 1 3 3 PHE N N 3 120.909 120.909 119.576 1.333 19828
335 1 6 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.703 -0.287 19828
336 1 6 . 1 1 3 3 PHE CA C 3 60.640 60.640 59.625 1.015 19828
337 1 6 . 1 1 3 3 PHE CB C 3 38.442 38.442 39.326 -0.884 19828
338 1 6 . 1 1 3 3 PHE H H 3 8.980 8.980 8.442 0.538 19828
339 1 6 . 1 1 4 4 ARG N N 4 119.516 119.516 119.395 0.121 19828
340 1 6 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.701 0.163 19828
341 1 6 . 1 1 4 4 ARG CA C 4 59.263 59.263 58.049 1.214 19828
342 1 6 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.035 0.423 19828
343 1 6 . 1 1 4 4 ARG H H 4 8.986 8.986 7.669 1.317 19828
344 1 6 . 1 1 5 5 ARG N N 5 119.466 119.466 119.927 -0.461 19828
345 1 6 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.076 0.049 19828
346 1 6 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.315 0.111 19828
347 1 6 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.306 -0.040 19828
348 1 6 . 1 1 5 5 ARG H H 5 7.997 7.997 7.295 0.702 19828
349 1 6 . 1 1 6 6 TYR N N 6 118.856 118.856 118.484 0.372 19828
350 1 6 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.908 -0.202 19828
351 1 6 . 1 1 6 6 TYR H H 6 7.995 7.995 7.429 0.566 19828
352 1 6 . 1 1 7 7 LEU N N 7 117.830 117.830 117.772 0.058 19828
353 1 6 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.229 -0.093 19828
354 1 6 . 1 1 7 7 LEU CA C 7 57.261 57.261 57.090 0.171 19828
355 1 6 . 1 1 7 7 LEU CB C 7 41.612 41.612 41.645 -0.033 19828
356 1 6 . 1 1 7 7 LEU H H 7 8.106 8.106 7.597 0.509 19828
357 1 6 . 1 1 8 8 SER N N 8 113.703 113.703 114.877 -1.174 19828
358 1 6 . 1 1 8 8 SER HA H 8 4.191 4.191 4.333 -0.142 19828
359 1 6 . 1 1 8 8 SER CA C 8 61.537 61.537 61.143 0.394 19828
360 1 6 . 1 1 8 8 SER CB C 8 62.607 62.607 63.627 -1.020 19828
361 1 6 . 1 1 8 8 SER H H 8 8.090 8.090 7.693 0.397 19828
362 1 6 . 1 1 9 9 VAL N N 9 120.306 120.306 120.053 0.253 19828
363 1 6 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.882 -0.163 19828
364 1 6 . 1 1 9 9 VAL CA C 9 65.380 65.380 65.103 0.277 19828
365 1 6 . 1 1 9 9 VAL CB C 9 31.412 31.412 30.818 0.594 19828
366 1 6 . 1 1 9 9 VAL H H 9 7.756 7.756 8.404 -0.648 19828
367 1 6 . 1 1 10 10 PHE N N 10 119.347 119.347 120.886 -1.539 19828
368 1 6 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.258 -0.044 19828
369 1 6 . 1 1 10 10 PHE CA C 10 60.757 60.757 61.112 -0.355 19828
370 1 6 . 1 1 10 10 PHE CB C 10 39.205 39.205 38.920 0.285 19828
371 1 6 . 1 1 10 10 PHE H H 10 7.903 7.903 7.834 0.069 19828
372 1 6 . 1 1 11 11 PHE N N 11 116.549 116.549 118.157 -1.608 19828
373 1 6 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.258 0.093 19828
374 1 6 . 1 1 11 11 PHE CA C 11 59.844 59.844 60.802 -0.958 19828
375 1 6 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.259 -0.267 19828
376 1 6 . 1 1 11 11 PHE H H 11 8.353 8.353 7.784 0.569 19828
377 1 6 . 1 1 12 12 ARG N N 12 118.598 118.598 119.363 -0.765 19828
378 1 6 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.182 -0.057 19828
379 1 6 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.594 0.161 19828
380 1 6 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.650 0.149 19828
381 1 6 . 1 1 12 12 ARG H H 12 8.054 8.054 7.770 0.284 19828
382 1 6 . 1 1 13 13 LYS N N 13 118.191 118.191 119.423 -1.232 19828
383 1 6 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.168 -0.061 19828
384 1 6 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.913 -1.965 19828
385 1 6 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.451 -0.067 19828
386 1 6 . 1 1 13 13 LYS H H 13 7.985 7.985 8.152 -0.167 19828
387 1 6 . 1 1 14 14 HIS N N 14 116.316 116.316 115.398 0.918 19828
388 1 6 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.366 0.264 19828
389 1 6 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.490 -1.052 19828
390 1 6 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.400 0.385 19828
391 1 6 . 1 1 14 14 HIS H H 14 7.824 7.824 7.790 0.034 19828
392 1 6 . 1 1 15 15 ILE N N 15 119.074 119.074 120.286 -1.212 19828
393 1 6 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.835 0.479 19828
394 1 6 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.105 -3.549 19828
395 1 6 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.274 -0.407 19828
396 1 6 . 1 1 15 15 ILE H H 15 7.857 7.857 8.275 -0.418 19828
397 1 7 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.573 -0.365 19828
398 1 7 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.668 1.936 19828
399 1 7 . 1 1 2 2 LYS CB C 2 32.800 32.800 32.418 0.382 19828
400 1 7 . 1 1 3 3 PHE N N 3 120.909 120.909 121.769 -0.860 19828
401 1 7 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.559 -0.143 19828
402 1 7 . 1 1 3 3 PHE CA C 3 60.640 60.640 59.164 1.476 19828
403 1 7 . 1 1 3 3 PHE CB C 3 38.442 38.442 39.258 -0.816 19828
404 1 7 . 1 1 3 3 PHE H H 3 8.980 8.980 8.403 0.577 19828
405 1 7 . 1 1 4 4 ARG N N 4 119.516 119.516 120.141 -0.625 19828
406 1 7 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.665 0.199 19828
407 1 7 . 1 1 4 4 ARG CA C 4 59.263 59.263 58.826 0.437 19828
408 1 7 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.390 0.067 19828
409 1 7 . 1 1 4 4 ARG H H 4 8.986 8.986 7.484 1.502 19828
410 1 7 . 1 1 5 5 ARG N N 5 119.466 119.466 119.280 0.186 19828
411 1 7 . 1 1 5 5 ARG HA H 5 4.125 4.125 3.936 0.189 19828
412 1 7 . 1 1 5 5 ARG CA C 5 58.426 58.426 59.283 -0.857 19828
413 1 7 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.115 0.151 19828
414 1 7 . 1 1 5 5 ARG H H 5 7.997 7.997 7.487 0.510 19828
415 1 7 . 1 1 6 6 TYR N N 6 118.856 118.856 118.039 0.817 19828
416 1 7 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.627 0.079 19828
417 1 7 . 1 1 6 6 TYR H H 6 7.995 7.995 7.429 0.566 19828
418 1 7 . 1 1 7 7 LEU N N 7 117.830 117.830 118.661 -0.831 19828
419 1 7 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.318 -0.182 19828
420 1 7 . 1 1 7 7 LEU CA C 7 57.261 57.261 57.321 -0.060 19828
421 1 7 . 1 1 7 7 LEU CB C 7 41.612 41.612 41.080 0.533 19828
422 1 7 . 1 1 7 7 LEU H H 7 8.106 8.106 7.505 0.601 19828
423 1 7 . 1 1 8 8 SER N N 8 113.703 113.703 115.537 -1.834 19828
424 1 7 . 1 1 8 8 SER HA H 8 4.191 4.191 4.325 -0.134 19828
425 1 7 . 1 1 8 8 SER CA C 8 61.537 61.537 61.486 0.051 19828
426 1 7 . 1 1 8 8 SER CB C 8 62.607 62.607 63.713 -1.106 19828
427 1 7 . 1 1 8 8 SER H H 8 8.090 8.090 8.044 0.046 19828
428 1 7 . 1 1 9 9 VAL N N 9 120.306 120.306 120.385 -0.079 19828
429 1 7 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.760 -0.041 19828
430 1 7 . 1 1 9 9 VAL CA C 9 65.380 65.380 65.550 -0.170 19828
431 1 7 . 1 1 9 9 VAL CB C 9 31.412 31.412 30.966 0.446 19828
432 1 7 . 1 1 9 9 VAL H H 9 7.756 7.756 8.692 -0.936 19828
433 1 7 . 1 1 10 10 PHE N N 10 119.347 119.347 121.393 -2.046 19828
434 1 7 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.284 -0.070 19828
435 1 7 . 1 1 10 10 PHE CA C 10 60.757 60.757 61.084 -0.327 19828
436 1 7 . 1 1 10 10 PHE CB C 10 39.205 39.205 39.041 0.164 19828
437 1 7 . 1 1 10 10 PHE H H 10 7.903 7.903 7.754 0.149 19828
438 1 7 . 1 1 11 11 PHE N N 11 116.549 116.549 118.181 -1.632 19828
439 1 7 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.246 0.105 19828
440 1 7 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.184 -1.341 19828
441 1 7 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.113 -0.121 19828
442 1 7 . 1 1 11 11 PHE H H 11 8.353 8.353 8.481 -0.128 19828
443 1 7 . 1 1 12 12 ARG N N 12 118.598 118.598 119.344 -0.746 19828
444 1 7 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.193 -0.068 19828
445 1 7 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.354 0.401 19828
446 1 7 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.612 0.187 19828
447 1 7 . 1 1 12 12 ARG H H 12 8.054 8.054 7.709 0.345 19828
448 1 7 . 1 1 13 13 LYS N N 13 118.191 118.191 118.974 -0.783 19828
449 1 7 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.050 0.057 19828
450 1 7 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.884 -1.936 19828
451 1 7 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.303 0.081 19828
452 1 7 . 1 1 13 13 LYS H H 13 7.985 7.985 8.242 -0.257 19828
453 1 7 . 1 1 14 14 HIS N N 14 116.316 116.316 115.369 0.947 19828
454 1 7 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.387 0.243 19828
455 1 7 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.807 -1.369 19828
456 1 7 . 1 1 14 14 HIS CB C 14 30.785 30.785 29.988 0.797 19828
457 1 7 . 1 1 14 14 HIS H H 14 7.824 7.824 7.594 0.230 19828
458 1 7 . 1 1 15 15 ILE N N 15 119.074 119.074 120.451 -1.377 19828
459 1 7 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.845 0.469 19828
460 1 7 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.197 -3.641 19828
461 1 7 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.211 -0.343 19828
462 1 7 . 1 1 15 15 ILE H H 15 7.857 7.857 8.272 -0.415 19828
463 1 8 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.448 -0.240 19828
464 1 8 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.117 2.487 19828
465 1 8 . 1 1 2 2 LYS CB C 2 32.800 32.800 32.361 0.439 19828
466 1 8 . 1 1 3 3 PHE N N 3 120.909 120.909 117.733 3.176 19828
467 1 8 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.563 -0.147 19828
468 1 8 . 1 1 3 3 PHE CA C 3 60.640 60.640 59.043 1.597 19828
469 1 8 . 1 1 3 3 PHE CB C 3 38.442 38.442 38.738 -0.296 19828
470 1 8 . 1 1 3 3 PHE H H 3 8.980 8.980 8.136 0.844 19828
471 1 8 . 1 1 4 4 ARG N N 4 119.516 119.516 120.166 -0.650 19828
472 1 8 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.635 0.229 19828
473 1 8 . 1 1 4 4 ARG CA C 4 59.263 59.263 59.102 0.161 19828
474 1 8 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.186 0.271 19828
475 1 8 . 1 1 4 4 ARG H H 4 8.986 8.986 7.486 1.500 19828
476 1 8 . 1 1 5 5 ARG N N 5 119.466 119.466 119.857 -0.391 19828
477 1 8 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.034 0.091 19828
478 1 8 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.542 -0.116 19828
479 1 8 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.281 -0.015 19828
480 1 8 . 1 1 5 5 ARG H H 5 7.997 7.997 7.416 0.581 19828
481 1 8 . 1 1 6 6 TYR N N 6 118.856 118.856 117.325 1.531 19828
482 1 8 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.881 -0.175 19828
483 1 8 . 1 1 6 6 TYR H H 6 7.995 7.995 7.672 0.323 19828
484 1 8 . 1 1 7 7 LEU N N 7 117.830 117.830 117.956 -0.126 19828
485 1 8 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.131 0.005 19828
486 1 8 . 1 1 7 7 LEU CA C 7 57.261 57.261 56.873 0.388 19828
487 1 8 . 1 1 7 7 LEU CB C 7 41.612 41.612 41.772 -0.160 19828
488 1 8 . 1 1 7 7 LEU H H 7 8.106 8.106 7.284 0.822 19828
489 1 8 . 1 1 8 8 SER N N 8 113.703 113.703 114.951 -1.248 19828
490 1 8 . 1 1 8 8 SER HA H 8 4.191 4.191 4.359 -0.168 19828
491 1 8 . 1 1 8 8 SER CA C 8 61.537 61.537 61.152 0.385 19828
492 1 8 . 1 1 8 8 SER CB C 8 62.607 62.607 64.066 -1.459 19828
493 1 8 . 1 1 8 8 SER H H 8 8.090 8.090 7.933 0.157 19828
494 1 8 . 1 1 9 9 VAL N N 9 120.306 120.306 119.020 1.286 19828
495 1 8 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.801 -0.082 19828
496 1 8 . 1 1 9 9 VAL CA C 9 65.380 65.380 66.155 -0.775 19828
497 1 8 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.103 0.309 19828
498 1 8 . 1 1 9 9 VAL H H 9 7.756 7.756 8.633 -0.877 19828
499 1 8 . 1 1 10 10 PHE N N 10 119.347 119.347 119.199 0.148 19828
500 1 8 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.345 -0.131 19828
501 1 8 . 1 1 10 10 PHE CA C 10 60.757 60.757 61.152 -0.395 19828
502 1 8 . 1 1 10 10 PHE CB C 10 39.205 39.205 38.385 0.820 19828
503 1 8 . 1 1 10 10 PHE H H 10 7.903 7.903 7.944 -0.041 19828
504 1 8 . 1 1 11 11 PHE N N 11 116.549 116.549 118.626 -2.077 19828
505 1 8 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.480 -0.129 19828
506 1 8 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.308 -1.464 19828
507 1 8 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.330 -0.337 19828
508 1 8 . 1 1 11 11 PHE H H 11 8.353 8.353 8.457 -0.104 19828
509 1 8 . 1 1 12 12 ARG N N 12 118.598 118.598 119.436 -0.838 19828
510 1 8 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.247 -0.122 19828
511 1 8 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.536 0.219 19828
512 1 8 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.755 0.044 19828
513 1 8 . 1 1 12 12 ARG H H 12 8.054 8.054 8.114 -0.060 19828
514 1 8 . 1 1 13 13 LYS N N 13 118.191 118.191 119.610 -1.419 19828
515 1 8 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.095 0.012 19828
516 1 8 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.770 -1.822 19828
517 1 8 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.206 0.178 19828
518 1 8 . 1 1 13 13 LYS H H 13 7.985 7.985 8.273 -0.288 19828
519 1 8 . 1 1 14 14 HIS N N 14 116.316 116.316 115.383 0.933 19828
520 1 8 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.422 0.208 19828
521 1 8 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.835 -1.397 19828
522 1 8 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.251 0.534 19828
523 1 8 . 1 1 14 14 HIS H H 14 7.824 7.824 7.814 0.010 19828
524 1 8 . 1 1 15 15 ILE N N 15 119.074 119.074 120.653 -1.579 19828
525 1 8 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.874 0.440 19828
526 1 8 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.076 -3.519 19828
527 1 8 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.231 -0.364 19828
528 1 8 . 1 1 15 15 ILE H H 15 7.857 7.857 8.314 -0.457 19828
529 1 9 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.524 -0.316 19828
530 1 9 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.486 2.118 19828
531 1 9 . 1 1 2 2 LYS CB C 2 32.800 32.800 31.827 0.973 19828
532 1 9 . 1 1 3 3 PHE N N 3 120.909 120.909 119.579 1.330 19828
533 1 9 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.241 0.175 19828
534 1 9 . 1 1 3 3 PHE CA C 3 60.640 60.640 59.605 1.036 19828
535 1 9 . 1 1 3 3 PHE CB C 3 38.442 38.442 38.752 -0.309 19828
536 1 9 . 1 1 3 3 PHE H H 3 8.980 8.980 8.031 0.949 19828
537 1 9 . 1 1 4 4 ARG N N 4 119.516 119.516 119.688 -0.172 19828
538 1 9 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.804 0.060 19828
539 1 9 . 1 1 4 4 ARG CA C 4 59.263 59.263 58.930 0.333 19828
540 1 9 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.257 0.200 19828
541 1 9 . 1 1 4 4 ARG H H 4 8.986 8.986 7.476 1.510 19828
542 1 9 . 1 1 5 5 ARG N N 5 119.466 119.466 119.655 -0.189 19828
543 1 9 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.034 0.091 19828
544 1 9 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.239 0.187 19828
545 1 9 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.270 -0.004 19828
546 1 9 . 1 1 5 5 ARG H H 5 7.997 7.997 7.326 0.671 19828
547 1 9 . 1 1 6 6 TYR N N 6 118.856 118.856 118.003 0.853 19828
548 1 9 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.597 0.109 19828
549 1 9 . 1 1 6 6 TYR H H 6 7.995 7.995 7.472 0.523 19828
550 1 9 . 1 1 7 7 LEU N N 7 117.830 117.830 117.208 0.622 19828
551 1 9 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.312 -0.176 19828
552 1 9 . 1 1 7 7 LEU CA C 7 57.261 57.261 57.528 -0.267 19828
553 1 9 . 1 1 7 7 LEU CB C 7 41.612 41.612 41.736 -0.124 19828
554 1 9 . 1 1 7 7 LEU H H 7 8.106 8.106 7.537 0.569 19828
555 1 9 . 1 1 8 8 SER N N 8 113.703 113.703 114.657 -0.954 19828
556 1 9 . 1 1 8 8 SER HA H 8 4.191 4.191 4.536 -0.345 19828
557 1 9 . 1 1 8 8 SER CA C 8 61.537 61.537 60.944 0.592 19828
558 1 9 . 1 1 8 8 SER CB C 8 62.607 62.607 63.977 -1.370 19828
559 1 9 . 1 1 8 8 SER H H 8 8.090 8.090 7.640 0.450 19828
560 1 9 . 1 1 9 9 VAL N N 9 120.306 120.306 120.112 0.194 19828
561 1 9 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.776 -0.057 19828
562 1 9 . 1 1 9 9 VAL CA C 9 65.380 65.380 65.954 -0.574 19828
563 1 9 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.279 0.133 19828
564 1 9 . 1 1 9 9 VAL H H 9 7.756 7.756 8.343 -0.587 19828
565 1 9 . 1 1 10 10 PHE N N 10 119.347 119.347 122.222 -2.875 19828
566 1 9 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.207 0.007 19828
567 1 9 . 1 1 10 10 PHE CA C 10 60.757 60.757 60.409 0.348 19828
568 1 9 . 1 1 10 10 PHE CB C 10 39.205 39.205 38.848 0.357 19828
569 1 9 . 1 1 10 10 PHE H H 10 7.903 7.903 7.968 -0.065 19828
570 1 9 . 1 1 11 11 PHE N N 11 116.549 116.549 118.302 -1.753 19828
571 1 9 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.210 0.141 19828
572 1 9 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.730 -1.886 19828
573 1 9 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.387 -0.395 19828
574 1 9 . 1 1 11 11 PHE H H 11 8.353 8.353 8.359 -0.006 19828
575 1 9 . 1 1 12 12 ARG N N 12 118.598 118.598 119.478 -0.880 19828
576 1 9 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.203 -0.078 19828
577 1 9 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.405 0.350 19828
578 1 9 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.654 0.145 19828
579 1 9 . 1 1 12 12 ARG H H 12 8.054 8.054 7.696 0.358 19828
580 1 9 . 1 1 13 13 LYS N N 13 118.191 118.191 119.203 -1.012 19828
581 1 9 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.056 0.051 19828
582 1 9 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.951 -2.003 19828
583 1 9 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.326 0.058 19828
584 1 9 . 1 1 13 13 LYS H H 13 7.985 7.985 8.170 -0.185 19828
585 1 9 . 1 1 14 14 HIS N N 14 116.316 116.316 116.211 0.105 19828
586 1 9 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.422 0.208 19828
587 1 9 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.728 -1.290 19828
588 1 9 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.186 0.599 19828
589 1 9 . 1 1 14 14 HIS H H 14 7.824 7.824 7.584 0.240 19828
590 1 9 . 1 1 15 15 ILE N N 15 119.074 119.074 120.329 -1.255 19828
591 1 9 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.853 0.462 19828
592 1 9 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.063 -3.507 19828
593 1 9 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.164 -0.297 19828
594 1 9 . 1 1 15 15 ILE H H 15 7.857 7.857 8.285 -0.428 19828
595 1 10 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.716 -0.508 19828
596 1 10 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.368 2.236 19828
597 1 10 . 1 1 2 2 LYS CB C 2 32.800 32.800 33.649 -0.849 19828
598 1 10 . 1 1 3 3 PHE N N 3 120.909 120.909 125.279 -4.370 19828
599 1 10 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.402 0.014 19828
600 1 10 . 1 1 3 3 PHE CA C 3 60.640 60.640 60.368 0.272 19828
601 1 10 . 1 1 3 3 PHE CB C 3 38.442 38.442 38.761 -0.319 19828
602 1 10 . 1 1 3 3 PHE H H 3 8.980 8.980 9.258 -0.278 19828
603 1 10 . 1 1 4 4 ARG N N 4 119.516 119.516 118.981 0.535 19828
604 1 10 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.634 0.230 19828
605 1 10 . 1 1 4 4 ARG CA C 4 59.263 59.263 58.273 0.990 19828
606 1 10 . 1 1 4 4 ARG CB C 4 29.457 29.457 28.756 0.702 19828
607 1 10 . 1 1 4 4 ARG H H 4 8.986 8.986 7.655 1.331 19828
608 1 10 . 1 1 5 5 ARG N N 5 119.466 119.466 120.034 -0.568 19828
609 1 10 . 1 1 5 5 ARG HA H 5 4.125 4.125 3.934 0.191 19828
610 1 10 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.924 -0.498 19828
611 1 10 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.040 0.226 19828
612 1 10 . 1 1 5 5 ARG H H 5 7.997 7.997 7.598 0.399 19828
613 1 10 . 1 1 6 6 TYR N N 6 118.856 118.856 116.273 2.583 19828
614 1 10 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.773 -0.067 19828
615 1 10 . 1 1 6 6 TYR H H 6 7.995 7.995 7.599 0.396 19828
616 1 10 . 1 1 7 7 LEU N N 7 117.830 117.830 117.970 -0.140 19828
617 1 10 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.448 -0.312 19828
618 1 10 . 1 1 7 7 LEU CA C 7 57.261 57.261 57.077 0.184 19828
619 1 10 . 1 1 7 7 LEU CB C 7 41.612 41.612 41.934 -0.322 19828
620 1 10 . 1 1 7 7 LEU H H 7 8.106 8.106 7.239 0.867 19828
621 1 10 . 1 1 8 8 SER N N 8 113.703 113.703 115.093 -1.390 19828
622 1 10 . 1 1 8 8 SER HA H 8 4.191 4.191 4.374 -0.183 19828
623 1 10 . 1 1 8 8 SER CA C 8 61.537 61.537 61.288 0.249 19828
624 1 10 . 1 1 8 8 SER CB C 8 62.607 62.607 63.612 -1.005 19828
625 1 10 . 1 1 8 8 SER H H 8 8.090 8.090 8.025 0.065 19828
626 1 10 . 1 1 9 9 VAL N N 9 120.306 120.306 119.613 0.693 19828
627 1 10 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.679 0.040 19828
628 1 10 . 1 1 9 9 VAL CA C 9 65.380 65.380 66.298 -0.918 19828
629 1 10 . 1 1 9 9 VAL CB C 9 31.412 31.412 30.451 0.961 19828
630 1 10 . 1 1 9 9 VAL H H 9 7.756 7.756 8.659 -0.903 19828
631 1 10 . 1 1 10 10 PHE N N 10 119.347 119.347 119.264 0.083 19828
632 1 10 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.269 -0.055 19828
633 1 10 . 1 1 10 10 PHE CA C 10 60.757 60.757 61.508 -0.750 19828
634 1 10 . 1 1 10 10 PHE CB C 10 39.205 39.205 38.478 0.727 19828
635 1 10 . 1 1 10 10 PHE H H 10 7.903 7.903 7.708 0.195 19828
636 1 10 . 1 1 11 11 PHE N N 11 116.549 116.549 118.786 -2.237 19828
637 1 10 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.399 -0.048 19828
638 1 10 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.153 -1.309 19828
639 1 10 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.249 -0.257 19828
640 1 10 . 1 1 11 11 PHE H H 11 8.353 8.353 8.326 0.027 19828
641 1 10 . 1 1 12 12 ARG N N 12 118.598 118.598 119.525 -0.927 19828
642 1 10 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.169 -0.044 19828
643 1 10 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.743 0.012 19828
644 1 10 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.564 0.235 19828
645 1 10 . 1 1 12 12 ARG H H 12 8.054 8.054 8.328 -0.274 19828
646 1 10 . 1 1 13 13 LYS N N 13 118.191 118.191 118.657 -0.466 19828
647 1 10 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.032 0.075 19828
648 1 10 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.799 -1.851 19828
649 1 10 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.175 0.209 19828
650 1 10 . 1 1 13 13 LYS H H 13 7.985 7.985 8.150 -0.165 19828
651 1 10 . 1 1 14 14 HIS N N 14 116.316 116.316 115.557 0.759 19828
652 1 10 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.474 0.156 19828
653 1 10 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.726 -1.288 19828
654 1 10 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.139 0.646 19828
655 1 10 . 1 1 14 14 HIS H H 14 7.824 7.824 7.560 0.264 19828
656 1 10 . 1 1 15 15 ILE N N 15 119.074 119.074 120.481 -1.407 19828
657 1 10 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.864 0.450 19828
658 1 10 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.147 -3.591 19828
659 1 10 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.043 -0.176 19828
660 1 10 . 1 1 15 15 ILE H H 15 7.857 7.857 8.438 -0.581 19828
661 1 11 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.545 -0.337 19828
662 1 11 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.697 1.907 19828
663 1 11 . 1 1 2 2 LYS CB C 2 32.800 32.800 33.772 -0.972 19828
664 1 11 . 1 1 3 3 PHE N N 3 120.909 120.909 123.791 -2.882 19828
665 1 11 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.594 -0.178 19828
666 1 11 . 1 1 3 3 PHE CA C 3 60.640 60.640 59.499 1.141 19828
667 1 11 . 1 1 3 3 PHE CB C 3 38.442 38.442 39.536 -1.094 19828
668 1 11 . 1 1 3 3 PHE H H 3 8.980 8.980 8.707 0.273 19828
669 1 11 . 1 1 4 4 ARG N N 4 119.516 119.516 119.496 0.020 19828
670 1 11 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.832 0.032 19828
671 1 11 . 1 1 4 4 ARG CA C 4 59.263 59.263 59.620 -0.357 19828
672 1 11 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.464 -0.007 19828
673 1 11 . 1 1 4 4 ARG H H 4 8.986 8.986 8.422 0.564 19828
674 1 11 . 1 1 5 5 ARG N N 5 119.466 119.466 118.545 0.921 19828
675 1 11 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.014 0.111 19828
676 1 11 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.523 -0.097 19828
677 1 11 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.138 0.128 19828
678 1 11 . 1 1 5 5 ARG H H 5 7.997 7.997 7.625 0.372 19828
679 1 11 . 1 1 6 6 TYR N N 6 118.856 118.856 117.975 0.881 19828
680 1 11 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.776 -0.070 19828
681 1 11 . 1 1 6 6 TYR H H 6 7.995 7.995 7.194 0.801 19828
682 1 11 . 1 1 7 7 LEU N N 7 117.830 117.830 117.687 0.143 19828
683 1 11 . 1 1 7 7 LEU HA H 7 4.136 4.136 3.791 0.345 19828
684 1 11 . 1 1 7 7 LEU CA C 7 57.261 57.261 56.780 0.481 19828
685 1 11 . 1 1 7 7 LEU CB C 7 41.612 41.612 41.601 0.011 19828
686 1 11 . 1 1 7 7 LEU H H 7 8.106 8.106 7.500 0.606 19828
687 1 11 . 1 1 8 8 SER N N 8 113.703 113.703 115.077 -1.374 19828
688 1 11 . 1 1 8 8 SER HA H 8 4.191 4.191 4.329 -0.138 19828
689 1 11 . 1 1 8 8 SER CA C 8 61.537 61.537 61.070 0.467 19828
690 1 11 . 1 1 8 8 SER CB C 8 62.607 62.607 63.881 -1.274 19828
691 1 11 . 1 1 8 8 SER H H 8 8.090 8.090 7.526 0.564 19828
692 1 11 . 1 1 9 9 VAL N N 9 120.306 120.306 119.321 0.985 19828
693 1 11 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.807 -0.088 19828
694 1 11 . 1 1 9 9 VAL CA C 9 65.380 65.380 66.334 -0.954 19828
695 1 11 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.174 0.238 19828
696 1 11 . 1 1 9 9 VAL H H 9 7.756 7.756 8.796 -1.040 19828
697 1 11 . 1 1 10 10 PHE N N 10 119.347 119.347 119.181 0.166 19828
698 1 11 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.356 -0.142 19828
699 1 11 . 1 1 10 10 PHE CA C 10 60.757 60.757 60.905 -0.148 19828
700 1 11 . 1 1 10 10 PHE CB C 10 39.205 39.205 38.412 0.793 19828
701 1 11 . 1 1 10 10 PHE H H 10 7.903 7.903 7.878 0.025 19828
702 1 11 . 1 1 11 11 PHE N N 11 116.549 116.549 118.951 -2.402 19828
703 1 11 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.431 -0.080 19828
704 1 11 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.415 -1.571 19828
705 1 11 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.322 -0.330 19828
706 1 11 . 1 1 11 11 PHE H H 11 8.353 8.353 8.436 -0.083 19828
707 1 11 . 1 1 12 12 ARG N N 12 118.598 118.598 119.415 -0.817 19828
708 1 11 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.198 -0.073 19828
709 1 11 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.822 -0.067 19828
710 1 11 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.608 0.191 19828
711 1 11 . 1 1 12 12 ARG H H 12 8.054 8.054 8.046 0.008 19828
712 1 11 . 1 1 13 13 LYS N N 13 118.191 118.191 118.443 -0.252 19828
713 1 11 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.109 -0.002 19828
714 1 11 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.724 -1.776 19828
715 1 11 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.332 0.052 19828
716 1 11 . 1 1 13 13 LYS H H 13 7.985 7.985 8.069 -0.084 19828
717 1 11 . 1 1 14 14 HIS N N 14 116.316 116.316 115.508 0.808 19828
718 1 11 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.436 0.194 19828
719 1 11 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.757 -1.319 19828
720 1 11 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.824 -0.039 19828
721 1 11 . 1 1 14 14 HIS H H 14 7.824 7.824 7.721 0.103 19828
722 1 11 . 1 1 15 15 ILE N N 15 119.074 119.074 120.215 -1.141 19828
723 1 11 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.884 0.430 19828
724 1 11 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.350 -3.794 19828
725 1 11 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.313 -0.446 19828
726 1 11 . 1 1 15 15 ILE H H 15 7.857 7.857 8.434 -0.577 19828
727 1 12 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.541 -0.333 19828
728 1 12 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.529 2.075 19828
729 1 12 . 1 1 2 2 LYS CB C 2 32.800 32.800 32.253 0.547 19828
730 1 12 . 1 1 3 3 PHE N N 3 120.909 120.909 125.632 -4.723 19828
731 1 12 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.404 0.012 19828
732 1 12 . 1 1 3 3 PHE CA C 3 60.640 60.640 59.415 1.225 19828
733 1 12 . 1 1 3 3 PHE CB C 3 38.442 38.442 39.538 -1.096 19828
734 1 12 . 1 1 3 3 PHE H H 3 8.980 8.980 8.415 0.565 19828
735 1 12 . 1 1 4 4 ARG N N 4 119.516 119.516 119.036 0.480 19828
736 1 12 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.887 -0.023 19828
737 1 12 . 1 1 4 4 ARG CA C 4 59.263 59.263 59.083 0.180 19828
738 1 12 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.753 -0.295 19828
739 1 12 . 1 1 4 4 ARG H H 4 8.986 8.986 8.334 0.652 19828
740 1 12 . 1 1 5 5 ARG N N 5 119.466 119.466 119.679 -0.213 19828
741 1 12 . 1 1 5 5 ARG HA H 5 4.125 4.125 3.949 0.176 19828
742 1 12 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.380 0.046 19828
743 1 12 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.309 -0.043 19828
744 1 12 . 1 1 5 5 ARG H H 5 7.997 7.997 7.759 0.238 19828
745 1 12 . 1 1 6 6 TYR N N 6 118.856 118.856 116.825 2.031 19828
746 1 12 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.801 -0.095 19828
747 1 12 . 1 1 6 6 TYR H H 6 7.995 7.995 7.668 0.327 19828
748 1 12 . 1 1 7 7 LEU N N 7 117.830 117.830 118.616 -0.786 19828
749 1 12 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.346 -0.210 19828
750 1 12 . 1 1 7 7 LEU CA C 7 57.261 57.261 57.171 0.090 19828
751 1 12 . 1 1 7 7 LEU CB C 7 41.612 41.612 41.699 -0.087 19828
752 1 12 . 1 1 7 7 LEU H H 7 8.106 8.106 7.239 0.867 19828
753 1 12 . 1 1 8 8 SER N N 8 113.703 113.703 115.218 -1.515 19828
754 1 12 . 1 1 8 8 SER HA H 8 4.191 4.191 4.326 -0.135 19828
755 1 12 . 1 1 8 8 SER CA C 8 61.537 61.537 61.434 0.103 19828
756 1 12 . 1 1 8 8 SER CB C 8 62.607 62.607 63.724 -1.117 19828
757 1 12 . 1 1 8 8 SER H H 8 8.090 8.090 7.813 0.277 19828
758 1 12 . 1 1 9 9 VAL N N 9 120.306 120.306 119.275 1.031 19828
759 1 12 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.610 0.109 19828
760 1 12 . 1 1 9 9 VAL CA C 9 65.380 65.380 66.276 -0.896 19828
761 1 12 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.167 0.245 19828
762 1 12 . 1 1 9 9 VAL H H 9 7.756 7.756 7.983 -0.227 19828
763 1 12 . 1 1 10 10 PHE N N 10 119.347 119.347 118.608 0.739 19828
764 1 12 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.314 -0.100 19828
765 1 12 . 1 1 10 10 PHE CA C 10 60.757 60.757 61.364 -0.607 19828
766 1 12 . 1 1 10 10 PHE CB C 10 39.205 39.205 38.650 0.555 19828
767 1 12 . 1 1 10 10 PHE H H 10 7.903 7.903 7.578 0.325 19828
768 1 12 . 1 1 11 11 PHE N N 11 116.549 116.549 118.705 -2.156 19828
769 1 12 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.474 -0.123 19828
770 1 12 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.167 -1.323 19828
771 1 12 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.272 -0.280 19828
772 1 12 . 1 1 11 11 PHE H H 11 8.353 8.353 8.349 0.004 19828
773 1 12 . 1 1 12 12 ARG N N 12 118.598 118.598 119.549 -0.951 19828
774 1 12 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.205 -0.080 19828
775 1 12 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.521 0.234 19828
776 1 12 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.601 0.198 19828
777 1 12 . 1 1 12 12 ARG H H 12 8.054 8.054 8.148 -0.094 19828
778 1 12 . 1 1 13 13 LYS N N 13 118.191 118.191 119.396 -1.205 19828
779 1 12 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.109 -0.002 19828
780 1 12 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.795 -1.847 19828
781 1 12 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.318 0.066 19828
782 1 12 . 1 1 13 13 LYS H H 13 7.985 7.985 8.322 -0.337 19828
783 1 12 . 1 1 14 14 HIS N N 14 116.316 116.316 115.467 0.849 19828
784 1 12 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.444 0.186 19828
785 1 12 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.875 -1.437 19828
786 1 12 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.383 0.402 19828
787 1 12 . 1 1 14 14 HIS H H 14 7.824 7.824 7.868 -0.044 19828
788 1 12 . 1 1 15 15 ILE N N 15 119.074 119.074 120.400 -1.326 19828
789 1 12 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.866 0.448 19828
790 1 12 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.068 -3.512 19828
791 1 12 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.172 -0.305 19828
792 1 12 . 1 1 15 15 ILE H H 15 7.857 7.857 8.433 -0.576 19828
793 1 13 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.434 -0.226 19828
794 1 13 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.285 2.319 19828
795 1 13 . 1 1 2 2 LYS CB C 2 32.800 32.800 31.508 1.292 19828
796 1 13 . 1 1 3 3 PHE N N 3 120.909 120.909 122.434 -1.525 19828
797 1 13 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.217 0.199 19828
798 1 13 . 1 1 3 3 PHE CA C 3 60.640 60.640 61.085 -0.445 19828
799 1 13 . 1 1 3 3 PHE CB C 3 38.442 38.442 39.501 -1.059 19828
800 1 13 . 1 1 3 3 PHE H H 3 8.980 8.980 8.013 0.967 19828
801 1 13 . 1 1 4 4 ARG N N 4 119.516 119.516 119.134 0.382 19828
802 1 13 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.882 -0.018 19828
803 1 13 . 1 1 4 4 ARG CA C 4 59.263 59.263 59.175 0.088 19828
804 1 13 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.466 -0.009 19828
805 1 13 . 1 1 4 4 ARG H H 4 8.986 8.986 8.540 0.446 19828
806 1 13 . 1 1 5 5 ARG N N 5 119.466 119.466 119.270 0.196 19828
807 1 13 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.032 0.093 19828
808 1 13 . 1 1 5 5 ARG CA C 5 58.426 58.426 59.161 -0.735 19828
809 1 13 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.104 0.162 19828
810 1 13 . 1 1 5 5 ARG H H 5 7.997 7.997 8.339 -0.342 19828
811 1 13 . 1 1 6 6 TYR N N 6 118.856 118.856 117.603 1.253 19828
812 1 13 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.288 0.418 19828
813 1 13 . 1 1 6 6 TYR H H 6 7.995 7.995 7.306 0.689 19828
814 1 13 . 1 1 7 7 LEU N N 7 117.830 117.830 118.708 -0.878 19828
815 1 13 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.175 -0.039 19828
816 1 13 . 1 1 7 7 LEU CA C 7 57.261 57.261 57.493 -0.232 19828
817 1 13 . 1 1 7 7 LEU CB C 7 41.612 41.612 40.840 0.772 19828
818 1 13 . 1 1 7 7 LEU H H 7 8.106 8.106 7.186 0.920 19828
819 1 13 . 1 1 8 8 SER N N 8 113.703 113.703 115.433 -1.730 19828
820 1 13 . 1 1 8 8 SER HA H 8 4.191 4.191 4.203 -0.012 19828
821 1 13 . 1 1 8 8 SER CA C 8 61.537 61.537 61.995 -0.458 19828
822 1 13 . 1 1 8 8 SER CB C 8 62.607 62.607 63.407 -0.800 19828
823 1 13 . 1 1 8 8 SER H H 8 8.090 8.090 7.828 0.262 19828
824 1 13 . 1 1 9 9 VAL N N 9 120.306 120.306 118.344 1.962 19828
825 1 13 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.792 -0.073 19828
826 1 13 . 1 1 9 9 VAL CA C 9 65.380 65.380 66.123 -0.743 19828
827 1 13 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.186 0.227 19828
828 1 13 . 1 1 9 9 VAL H H 9 7.756 7.756 8.637 -0.881 19828
829 1 13 . 1 1 10 10 PHE N N 10 119.347 119.347 121.079 -1.732 19828
830 1 13 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.255 -0.041 19828
831 1 13 . 1 1 10 10 PHE CA C 10 60.757 60.757 61.998 -1.241 19828
832 1 13 . 1 1 10 10 PHE CB C 10 39.205 39.205 39.205 -0.000 19828
833 1 13 . 1 1 10 10 PHE H H 10 7.903 7.903 7.746 0.157 19828
834 1 13 . 1 1 11 11 PHE N N 11 116.549 116.549 117.893 -1.344 19828
835 1 13 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.553 -0.202 19828
836 1 13 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.032 -1.188 19828
837 1 13 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.308 -0.316 19828
838 1 13 . 1 1 11 11 PHE H H 11 8.353 8.353 7.987 0.366 19828
839 1 13 . 1 1 12 12 ARG N N 12 118.598 118.598 119.353 -0.755 19828
840 1 13 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.234 -0.109 19828
841 1 13 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.714 0.041 19828
842 1 13 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.884 -0.085 19828
843 1 13 . 1 1 12 12 ARG H H 12 8.054 8.054 7.740 0.314 19828
844 1 13 . 1 1 13 13 LYS N N 13 118.191 118.191 119.088 -0.897 19828
845 1 13 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.044 0.063 19828
846 1 13 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.623 -1.675 19828
847 1 13 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.130 0.254 19828
848 1 13 . 1 1 13 13 LYS H H 13 7.985 7.985 8.298 -0.313 19828
849 1 13 . 1 1 14 14 HIS N N 14 116.316 116.316 115.385 0.931 19828
850 1 13 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.443 0.187 19828
851 1 13 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.731 -1.293 19828
852 1 13 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.364 0.420 19828
853 1 13 . 1 1 14 14 HIS H H 14 7.824 7.824 7.622 0.202 19828
854 1 13 . 1 1 15 15 ILE N N 15 119.074 119.074 120.667 -1.593 19828
855 1 13 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.872 0.442 19828
856 1 13 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.160 -3.604 19828
857 1 13 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.188 -0.321 19828
858 1 13 . 1 1 15 15 ILE H H 15 7.857 7.857 8.326 -0.469 19828
859 1 14 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.079 0.129 19828
860 1 14 . 1 1 2 2 LYS CA C 2 57.604 57.604 58.169 -0.565 19828
861 1 14 . 1 1 2 2 LYS CB C 2 32.800 32.800 32.337 0.463 19828
862 1 14 . 1 1 3 3 PHE N N 3 120.909 120.909 119.228 1.681 19828
863 1 14 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.497 -0.081 19828
864 1 14 . 1 1 3 3 PHE CA C 3 60.640 60.640 60.276 0.364 19828
865 1 14 . 1 1 3 3 PHE CB C 3 38.442 38.442 38.744 -0.302 19828
866 1 14 . 1 1 3 3 PHE H H 3 8.980 8.980 8.196 0.784 19828
867 1 14 . 1 1 4 4 ARG N N 4 119.516 119.516 118.239 1.277 19828
868 1 14 . 1 1 4 4 ARG HA H 4 3.864 3.864 4.065 -0.201 19828
869 1 14 . 1 1 4 4 ARG CA C 4 59.263 59.263 58.636 0.627 19828
870 1 14 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.123 0.334 19828
871 1 14 . 1 1 4 4 ARG H H 4 8.986 8.986 8.369 0.617 19828
872 1 14 . 1 1 5 5 ARG N N 5 119.466 119.466 119.765 -0.299 19828
873 1 14 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.112 0.013 19828
874 1 14 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.315 0.111 19828
875 1 14 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.220 0.046 19828
876 1 14 . 1 1 5 5 ARG H H 5 7.997 7.997 7.330 0.667 19828
877 1 14 . 1 1 6 6 TYR N N 6 118.856 118.856 117.826 1.030 19828
878 1 14 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.454 0.252 19828
879 1 14 . 1 1 6 6 TYR H H 6 7.995 7.995 7.235 0.760 19828
880 1 14 . 1 1 7 7 LEU N N 7 117.830 117.830 118.570 -0.740 19828
881 1 14 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.184 -0.048 19828
882 1 14 . 1 1 7 7 LEU CA C 7 57.261 57.261 57.057 0.204 19828
883 1 14 . 1 1 7 7 LEU CB C 7 41.612 41.612 41.012 0.600 19828
884 1 14 . 1 1 7 7 LEU H H 7 8.106 8.106 7.302 0.804 19828
885 1 14 . 1 1 8 8 SER N N 8 113.703 113.703 115.470 -1.767 19828
886 1 14 . 1 1 8 8 SER HA H 8 4.191 4.191 4.218 -0.027 19828
887 1 14 . 1 1 8 8 SER CA C 8 61.537 61.537 61.424 0.113 19828
888 1 14 . 1 1 8 8 SER CB C 8 62.607 62.607 63.473 -0.866 19828
889 1 14 . 1 1 8 8 SER H H 8 8.090 8.090 7.635 0.455 19828
890 1 14 . 1 1 9 9 VAL N N 9 120.306 120.306 119.177 1.129 19828
891 1 14 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.764 -0.045 19828
892 1 14 . 1 1 9 9 VAL CA C 9 65.380 65.380 65.833 -0.453 19828
893 1 14 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.143 0.269 19828
894 1 14 . 1 1 9 9 VAL H H 9 7.756 7.756 8.439 -0.683 19828
895 1 14 . 1 1 10 10 PHE N N 10 119.347 119.347 120.980 -1.633 19828
896 1 14 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.393 -0.179 19828
897 1 14 . 1 1 10 10 PHE CA C 10 60.757 60.757 60.635 0.122 19828
898 1 14 . 1 1 10 10 PHE CB C 10 39.205 39.205 39.246 -0.041 19828
899 1 14 . 1 1 10 10 PHE H H 10 7.903 7.903 7.810 0.093 19828
900 1 14 . 1 1 11 11 PHE N N 11 116.549 116.549 118.969 -2.420 19828
901 1 14 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.249 0.102 19828
902 1 14 . 1 1 11 11 PHE CA C 11 59.844 59.844 59.713 0.131 19828
903 1 14 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.241 -0.249 19828
904 1 14 . 1 1 11 11 PHE H H 11 8.353 8.353 8.165 0.188 19828
905 1 14 . 1 1 12 12 ARG N N 12 118.598 118.598 119.346 -0.748 19828
906 1 14 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.137 -0.012 19828
907 1 14 . 1 1 12 12 ARG CA C 12 57.755 57.755 58.565 -0.810 19828
908 1 14 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.843 -0.044 19828
909 1 14 . 1 1 12 12 ARG H H 12 8.054 8.054 8.581 -0.527 19828
910 1 14 . 1 1 13 13 LYS N N 13 118.191 118.191 118.880 -0.689 19828
911 1 14 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.032 0.075 19828
912 1 14 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.865 -1.917 19828
913 1 14 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.286 0.098 19828
914 1 14 . 1 1 13 13 LYS H H 13 7.985 7.985 7.927 0.058 19828
915 1 14 . 1 1 14 14 HIS N N 14 116.316 116.316 115.531 0.785 19828
916 1 14 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.396 0.234 19828
917 1 14 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.595 -1.157 19828
918 1 14 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.326 0.459 19828
919 1 14 . 1 1 14 14 HIS H H 14 7.824 7.824 7.814 0.010 19828
920 1 14 . 1 1 15 15 ILE N N 15 119.074 119.074 120.524 -1.450 19828
921 1 14 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.824 0.490 19828
922 1 14 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.010 -3.454 19828
923 1 14 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.068 -0.201 19828
924 1 14 . 1 1 15 15 ILE H H 15 7.857 7.857 8.187 -0.330 19828
925 1 15 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.520 -0.312 19828
926 1 15 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.451 2.153 19828
927 1 15 . 1 1 2 2 LYS CB C 2 32.800 32.800 34.403 -1.603 19828
928 1 15 . 1 1 3 3 PHE N N 3 120.909 120.909 124.363 -3.454 19828
929 1 15 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.548 -0.132 19828
930 1 15 . 1 1 3 3 PHE CA C 3 60.640 60.640 60.174 0.466 19828
931 1 15 . 1 1 3 3 PHE CB C 3 38.442 38.442 39.638 -1.196 19828
932 1 15 . 1 1 3 3 PHE H H 3 8.980 8.980 8.821 0.159 19828
933 1 15 . 1 1 4 4 ARG N N 4 119.516 119.516 117.838 1.678 19828
934 1 15 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.986 -0.122 19828
935 1 15 . 1 1 4 4 ARG CA C 4 59.263 59.263 59.299 -0.036 19828
936 1 15 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.656 -0.199 19828
937 1 15 . 1 1 4 4 ARG H H 4 8.986 8.986 8.527 0.459 19828
938 1 15 . 1 1 5 5 ARG N N 5 119.466 119.466 120.028 -0.562 19828
939 1 15 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.040 0.085 19828
940 1 15 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.642 -0.216 19828
941 1 15 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.381 -0.115 19828
942 1 15 . 1 1 5 5 ARG H H 5 7.997 7.997 7.352 0.645 19828
943 1 15 . 1 1 6 6 TYR N N 6 118.856 118.856 118.050 0.806 19828
944 1 15 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.781 -0.074 19828
945 1 15 . 1 1 6 6 TYR H H 6 7.995 7.995 7.334 0.661 19828
946 1 15 . 1 1 7 7 LEU N N 7 117.830 117.830 117.262 0.568 19828
947 1 15 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.165 -0.029 19828
948 1 15 . 1 1 7 7 LEU CA C 7 57.261 57.261 56.739 0.522 19828
949 1 15 . 1 1 7 7 LEU CB C 7 41.612 41.612 41.717 -0.105 19828
950 1 15 . 1 1 7 7 LEU H H 7 8.106 8.106 7.376 0.730 19828
951 1 15 . 1 1 8 8 SER N N 8 113.703 113.703 114.787 -1.084 19828
952 1 15 . 1 1 8 8 SER HA H 8 4.191 4.191 4.430 -0.239 19828
953 1 15 . 1 1 8 8 SER CA C 8 61.537 61.537 60.935 0.602 19828
954 1 15 . 1 1 8 8 SER CB C 8 62.607 62.607 63.787 -1.180 19828
955 1 15 . 1 1 8 8 SER H H 8 8.090 8.090 7.672 0.418 19828
956 1 15 . 1 1 9 9 VAL N N 9 120.306 120.306 119.128 1.178 19828
957 1 15 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.884 -0.165 19828
958 1 15 . 1 1 9 9 VAL CA C 9 65.380 65.380 65.959 -0.579 19828
959 1 15 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.481 -0.069 19828
960 1 15 . 1 1 9 9 VAL H H 9 7.756 7.756 8.544 -0.788 19828
961 1 15 . 1 1 10 10 PHE N N 10 119.347 119.347 120.585 -1.238 19828
962 1 15 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.132 0.082 19828
963 1 15 . 1 1 10 10 PHE CA C 10 60.757 60.757 61.729 -0.972 19828
964 1 15 . 1 1 10 10 PHE CB C 10 39.205 39.205 39.291 -0.086 19828
965 1 15 . 1 1 10 10 PHE H H 10 7.903 7.903 7.896 0.007 19828
966 1 15 . 1 1 11 11 PHE N N 11 116.549 116.549 116.661 -0.112 19828
967 1 15 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.517 -0.166 19828
968 1 15 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.439 -1.595 19828
969 1 15 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.324 -0.332 19828
970 1 15 . 1 1 11 11 PHE H H 11 8.353 8.353 7.684 0.669 19828
971 1 15 . 1 1 12 12 ARG N N 12 118.598 118.598 118.153 0.445 19828
972 1 15 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.321 -0.196 19828
973 1 15 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.481 0.274 19828
974 1 15 . 1 1 12 12 ARG CB C 12 29.799 29.799 30.132 -0.333 19828
975 1 15 . 1 1 12 12 ARG H H 12 8.054 8.054 7.602 0.452 19828
976 1 15 . 1 1 13 13 LYS N N 13 118.191 118.191 117.210 0.981 19828
977 1 15 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.075 0.032 19828
978 1 15 . 1 1 13 13 LYS CA C 13 56.948 56.948 57.948 -1.000 19828
979 1 15 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.217 0.167 19828
980 1 15 . 1 1 13 13 LYS H H 13 7.985 7.985 8.145 -0.160 19828
981 1 15 . 1 1 14 14 HIS N N 14 116.316 116.316 115.399 0.917 19828
982 1 15 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.515 0.115 19828
983 1 15 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.076 -0.638 19828
984 1 15 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.358 0.426 19828
985 1 15 . 1 1 14 14 HIS H H 14 7.824 7.824 7.331 0.493 19828
986 1 15 . 1 1 15 15 ILE N N 15 119.074 119.074 121.262 -2.188 19828
987 1 15 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.933 0.381 19828
988 1 15 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.000 -3.444 19828
989 1 15 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.325 -0.458 19828
990 1 15 . 1 1 15 15 ILE H H 15 7.857 7.857 8.317 -0.460 19828
991 1 16 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.385 -0.177 19828
992 1 16 . 1 1 2 2 LYS CA C 2 57.604 57.604 56.273 1.331 19828
993 1 16 . 1 1 2 2 LYS CB C 2 32.800 32.800 33.136 -0.336 19828
994 1 16 . 1 1 3 3 PHE N N 3 120.909 120.909 121.210 -0.301 19828
995 1 16 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.843 -0.427 19828
996 1 16 . 1 1 3 3 PHE CA C 3 60.640 60.640 59.587 1.053 19828
997 1 16 . 1 1 3 3 PHE CB C 3 38.442 38.442 39.307 -0.865 19828
998 1 16 . 1 1 3 3 PHE H H 3 8.980 8.980 8.126 0.854 19828
999 1 16 . 1 1 4 4 ARG N N 4 119.516 119.516 120.441 -0.925 19828
1000 1 16 . 1 1 4 4 ARG HA H 4 3.864 3.864 4.131 -0.267 19828
1001 1 16 . 1 1 4 4 ARG CA C 4 59.263 59.263 58.581 0.682 19828
1002 1 16 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.047 0.410 19828
1003 1 16 . 1 1 4 4 ARG H H 4 8.986 8.986 8.421 0.565 19828
1004 1 16 . 1 1 5 5 ARG N N 5 119.466 119.466 119.300 0.166 19828
1005 1 16 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.042 0.083 19828
1006 1 16 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.781 -0.355 19828
1007 1 16 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.140 0.126 19828
1008 1 16 . 1 1 5 5 ARG H H 5 7.997 7.997 8.371 -0.374 19828
1009 1 16 . 1 1 6 6 TYR N N 6 118.856 118.856 117.385 1.471 19828
1010 1 16 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.626 0.080 19828
1011 1 16 . 1 1 6 6 TYR H H 6 7.995 7.995 7.411 0.584 19828
1012 1 16 . 1 1 7 7 LEU N N 7 117.830 117.830 117.859 -0.029 19828
1013 1 16 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.077 0.059 19828
1014 1 16 . 1 1 7 7 LEU CA C 7 57.261 57.261 56.836 0.425 19828
1015 1 16 . 1 1 7 7 LEU CB C 7 41.612 41.612 40.932 0.680 19828
1016 1 16 . 1 1 7 7 LEU H H 7 8.106 8.106 7.173 0.933 19828
1017 1 16 . 1 1 8 8 SER N N 8 113.703 113.703 114.536 -0.833 19828
1018 1 16 . 1 1 8 8 SER HA H 8 4.191 4.191 4.368 -0.177 19828
1019 1 16 . 1 1 8 8 SER CA C 8 61.537 61.537 61.167 0.370 19828
1020 1 16 . 1 1 8 8 SER CB C 8 62.607 62.607 63.525 -0.918 19828
1021 1 16 . 1 1 8 8 SER H H 8 8.090 8.090 7.311 0.779 19828
1022 1 16 . 1 1 9 9 VAL N N 9 120.306 120.306 119.044 1.262 19828
1023 1 16 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.802 -0.083 19828
1024 1 16 . 1 1 9 9 VAL CA C 9 65.380 65.380 66.248 -0.868 19828
1025 1 16 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.471 -0.059 19828
1026 1 16 . 1 1 9 9 VAL H H 9 7.756 7.756 8.483 -0.727 19828
1027 1 16 . 1 1 10 10 PHE N N 10 119.347 119.347 118.417 0.930 19828
1028 1 16 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.375 -0.161 19828
1029 1 16 . 1 1 10 10 PHE CA C 10 60.757 60.757 60.493 0.264 19828
1030 1 16 . 1 1 10 10 PHE CB C 10 39.205 39.205 38.961 0.244 19828
1031 1 16 . 1 1 10 10 PHE H H 10 7.903 7.903 8.051 -0.148 19828
1032 1 16 . 1 1 11 11 PHE N N 11 116.549 116.549 117.404 -0.855 19828
1033 1 16 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.450 -0.099 19828
1034 1 16 . 1 1 11 11 PHE CA C 11 59.844 59.844 60.360 -0.516 19828
1035 1 16 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.370 -0.378 19828
1036 1 16 . 1 1 11 11 PHE H H 11 8.353 8.353 8.131 0.222 19828
1037 1 16 . 1 1 12 12 ARG N N 12 118.598 118.598 119.670 -1.072 19828
1038 1 16 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.193 -0.068 19828
1039 1 16 . 1 1 12 12 ARG CA C 12 57.755 57.755 58.672 -0.917 19828
1040 1 16 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.853 -0.054 19828
1041 1 16 . 1 1 12 12 ARG H H 12 8.054 8.054 8.233 -0.179 19828
1042 1 16 . 1 1 13 13 LYS N N 13 118.191 118.191 117.674 0.517 19828
1043 1 16 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.113 -0.006 19828
1044 1 16 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.364 -1.417 19828
1045 1 16 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.461 -0.077 19828
1046 1 16 . 1 1 13 13 LYS H H 13 7.985 7.985 7.971 0.014 19828
1047 1 16 . 1 1 14 14 HIS N N 14 116.316 116.316 115.767 0.549 19828
1048 1 16 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.509 0.121 19828
1049 1 16 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.873 -1.435 19828
1050 1 16 . 1 1 14 14 HIS CB C 14 30.785 30.785 31.551 -0.766 19828
1051 1 16 . 1 1 14 14 HIS H H 14 7.824 7.824 7.866 -0.042 19828
1052 1 16 . 1 1 15 15 ILE N N 15 119.074 119.074 120.913 -1.839 19828
1053 1 16 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.972 0.342 19828
1054 1 16 . 1 1 15 15 ILE CA C 15 60.556 60.556 63.914 -3.358 19828
1055 1 16 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.157 -0.290 19828
1056 1 16 . 1 1 15 15 ILE H H 15 7.857 7.857 8.632 -0.775 19828
1057 1 17 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.618 -0.410 19828
1058 1 17 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.851 1.753 19828
1059 1 17 . 1 1 2 2 LYS CB C 2 32.800 32.800 32.401 0.399 19828
1060 1 17 . 1 1 3 3 PHE N N 3 120.909 120.909 123.350 -2.441 19828
1061 1 17 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.424 -0.008 19828
1062 1 17 . 1 1 3 3 PHE CA C 3 60.640 60.640 58.499 2.141 19828
1063 1 17 . 1 1 3 3 PHE CB C 3 38.442 38.442 39.223 -0.781 19828
1064 1 17 . 1 1 3 3 PHE H H 3 8.980 8.980 8.321 0.659 19828
1065 1 17 . 1 1 4 4 ARG N N 4 119.516 119.516 118.938 0.578 19828
1066 1 17 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.822 0.042 19828
1067 1 17 . 1 1 4 4 ARG CA C 4 59.263 59.263 59.390 -0.127 19828
1068 1 17 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.963 -0.506 19828
1069 1 17 . 1 1 4 4 ARG H H 4 8.986 8.986 8.345 0.641 19828
1070 1 17 . 1 1 5 5 ARG N N 5 119.466 119.466 119.275 0.191 19828
1071 1 17 . 1 1 5 5 ARG HA H 5 4.125 4.125 3.962 0.163 19828
1072 1 17 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.990 -0.564 19828
1073 1 17 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.149 0.117 19828
1074 1 17 . 1 1 5 5 ARG H H 5 7.997 7.997 7.733 0.264 19828
1075 1 17 . 1 1 6 6 TYR N N 6 118.856 118.856 117.105 1.751 19828
1076 1 17 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.604 0.102 19828
1077 1 17 . 1 1 6 6 TYR H H 6 7.995 7.995 7.290 0.705 19828
1078 1 17 . 1 1 7 7 LEU N N 7 117.830 117.830 118.984 -1.154 19828
1079 1 17 . 1 1 7 7 LEU HA H 7 4.136 4.136 3.894 0.242 19828
1080 1 17 . 1 1 7 7 LEU CA C 7 57.261 57.261 57.268 -0.007 19828
1081 1 17 . 1 1 7 7 LEU CB C 7 41.612 41.612 41.627 -0.015 19828
1082 1 17 . 1 1 7 7 LEU H H 7 8.106 8.106 7.452 0.654 19828
1083 1 17 . 1 1 8 8 SER N N 8 113.703 113.703 115.394 -1.691 19828
1084 1 17 . 1 1 8 8 SER HA H 8 4.191 4.191 4.189 0.002 19828
1085 1 17 . 1 1 8 8 SER CA C 8 61.537 61.537 61.961 -0.424 19828
1086 1 17 . 1 1 8 8 SER CB C 8 62.607 62.607 63.451 -0.844 19828
1087 1 17 . 1 1 8 8 SER H H 8 8.090 8.090 7.954 0.136 19828
1088 1 17 . 1 1 9 9 VAL N N 9 120.306 120.306 119.102 1.204 19828
1089 1 17 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.763 -0.044 19828
1090 1 17 . 1 1 9 9 VAL CA C 9 65.380 65.380 66.112 -0.732 19828
1091 1 17 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.429 -0.017 19828
1092 1 17 . 1 1 9 9 VAL H H 9 7.756 7.756 8.341 -0.585 19828
1093 1 17 . 1 1 10 10 PHE N N 10 119.347 119.347 120.539 -1.192 19828
1094 1 17 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.294 -0.080 19828
1095 1 17 . 1 1 10 10 PHE CA C 10 60.757 60.757 61.806 -1.049 19828
1096 1 17 . 1 1 10 10 PHE CB C 10 39.205 39.205 39.462 -0.257 19828
1097 1 17 . 1 1 10 10 PHE H H 10 7.903 7.903 7.631 0.272 19828
1098 1 17 . 1 1 11 11 PHE N N 11 116.549 116.549 118.134 -1.585 19828
1099 1 17 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.541 -0.190 19828
1100 1 17 . 1 1 11 11 PHE CA C 11 59.844 59.844 60.580 -0.736 19828
1101 1 17 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.370 -0.378 19828
1102 1 17 . 1 1 11 11 PHE H H 11 8.353 8.353 8.024 0.329 19828
1103 1 17 . 1 1 12 12 ARG N N 12 118.598 118.598 119.462 -0.864 19828
1104 1 17 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.186 -0.061 19828
1105 1 17 . 1 1 12 12 ARG CA C 12 57.755 57.755 58.488 -0.733 19828
1106 1 17 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.956 -0.157 19828
1107 1 17 . 1 1 12 12 ARG H H 12 8.054 8.054 8.131 -0.077 19828
1108 1 17 . 1 1 13 13 LYS N N 13 118.191 118.191 118.881 -0.690 19828
1109 1 17 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.072 0.035 19828
1110 1 17 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.792 -1.844 19828
1111 1 17 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.347 0.037 19828
1112 1 17 . 1 1 13 13 LYS H H 13 7.985 7.985 8.091 -0.106 19828
1113 1 17 . 1 1 14 14 HIS N N 14 116.316 116.316 115.578 0.738 19828
1114 1 17 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.445 0.185 19828
1115 1 17 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.527 -1.089 19828
1116 1 17 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.714 0.071 19828
1117 1 17 . 1 1 14 14 HIS H H 14 7.824 7.824 7.826 -0.002 19828
1118 1 17 . 1 1 15 15 ILE N N 15 119.074 119.074 120.739 -1.665 19828
1119 1 17 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.863 0.451 19828
1120 1 17 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.202 -3.646 19828
1121 1 17 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.187 -0.320 19828
1122 1 17 . 1 1 15 15 ILE H H 15 7.857 7.857 8.347 -0.490 19828
1123 1 18 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.050 0.158 19828
1124 1 18 . 1 1 2 2 LYS CA C 2 57.604 57.604 58.543 -0.939 19828
1125 1 18 . 1 1 2 2 LYS CB C 2 32.800 32.800 32.172 0.628 19828
1126 1 18 . 1 1 3 3 PHE N N 3 120.909 120.909 121.347 -0.438 19828
1127 1 18 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.571 -0.155 19828
1128 1 18 . 1 1 3 3 PHE CA C 3 60.640 60.640 59.120 1.520 19828
1129 1 18 . 1 1 3 3 PHE CB C 3 38.442 38.442 38.797 -0.355 19828
1130 1 18 . 1 1 3 3 PHE H H 3 8.980 8.980 7.945 1.035 19828
1131 1 18 . 1 1 4 4 ARG N N 4 119.516 119.516 119.935 -0.419 19828
1132 1 18 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.819 0.045 19828
1133 1 18 . 1 1 4 4 ARG CA C 4 59.263 59.263 59.157 0.106 19828
1134 1 18 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.522 -0.065 19828
1135 1 18 . 1 1 4 4 ARG H H 4 8.986 8.986 8.390 0.596 19828
1136 1 18 . 1 1 5 5 ARG N N 5 119.466 119.466 118.963 0.503 19828
1137 1 18 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.024 0.101 19828
1138 1 18 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.944 -0.519 19828
1139 1 18 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.262 0.003 19828
1140 1 18 . 1 1 5 5 ARG H H 5 7.997 7.997 7.763 0.234 19828
1141 1 18 . 1 1 6 6 TYR N N 6 118.856 118.856 117.279 1.577 19828
1142 1 18 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.576 0.130 19828
1143 1 18 . 1 1 6 6 TYR H H 6 7.995 7.995 7.433 0.562 19828
1144 1 18 . 1 1 7 7 LEU N N 7 117.830 117.830 117.559 0.271 19828
1145 1 18 . 1 1 7 7 LEU HA H 7 4.136 4.136 3.920 0.216 19828
1146 1 18 . 1 1 7 7 LEU CA C 7 57.261 57.261 56.497 0.764 19828
1147 1 18 . 1 1 7 7 LEU CB C 7 41.612 41.612 41.498 0.114 19828
1148 1 18 . 1 1 7 7 LEU H H 7 8.106 8.106 7.098 1.008 19828
1149 1 18 . 1 1 8 8 SER N N 8 113.703 113.703 115.378 -1.675 19828
1150 1 18 . 1 1 8 8 SER HA H 8 4.191 4.191 4.404 -0.213 19828
1151 1 18 . 1 1 8 8 SER CA C 8 61.537 61.537 61.016 0.521 19828
1152 1 18 . 1 1 8 8 SER CB C 8 62.607 62.607 63.638 -1.031 19828
1153 1 18 . 1 1 8 8 SER H H 8 8.090 8.090 8.039 0.051 19828
1154 1 18 . 1 1 9 9 VAL N N 9 120.306 120.306 118.991 1.315 19828
1155 1 18 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.761 -0.042 19828
1156 1 18 . 1 1 9 9 VAL CA C 9 65.380 65.380 66.167 -0.787 19828
1157 1 18 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.494 -0.082 19828
1158 1 18 . 1 1 9 9 VAL H H 9 7.756 7.756 8.533 -0.777 19828
1159 1 18 . 1 1 10 10 PHE N N 10 119.347 119.347 119.376 -0.029 19828
1160 1 18 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.308 -0.094 19828
1161 1 18 . 1 1 10 10 PHE CA C 10 60.757 60.757 60.654 0.103 19828
1162 1 18 . 1 1 10 10 PHE CB C 10 39.205 39.205 38.602 0.603 19828
1163 1 18 . 1 1 10 10 PHE H H 10 7.903 7.903 7.937 -0.034 19828
1164 1 18 . 1 1 11 11 PHE N N 11 116.549 116.549 117.546 -0.997 19828
1165 1 18 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.347 0.004 19828
1166 1 18 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.369 -1.525 19828
1167 1 18 . 1 1 11 11 PHE CB C 11 38.992 38.992 38.790 0.202 19828
1168 1 18 . 1 1 11 11 PHE H H 11 8.353 8.353 8.672 -0.319 19828
1169 1 18 . 1 1 12 12 ARG N N 12 118.598 118.598 119.324 -0.726 19828
1170 1 18 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.278 -0.153 19828
1171 1 18 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.626 0.130 19828
1172 1 18 . 1 1 12 12 ARG CB C 12 29.799 29.799 30.038 -0.239 19828
1173 1 18 . 1 1 12 12 ARG H H 12 8.054 8.054 7.827 0.227 19828
1174 1 18 . 1 1 13 13 LYS N N 13 118.191 118.191 117.895 0.296 19828
1175 1 18 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.239 -0.132 19828
1176 1 18 . 1 1 13 13 LYS CA C 13 56.948 56.948 57.896 -0.948 19828
1177 1 18 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.610 -0.226 19828
1178 1 18 . 1 1 13 13 LYS H H 13 7.985 7.985 8.313 -0.328 19828
1179 1 18 . 1 1 14 14 HIS N N 14 116.316 116.316 116.285 0.031 19828
1180 1 18 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.477 0.153 19828
1181 1 18 . 1 1 14 14 HIS CA C 14 56.438 56.438 58.042 -1.605 19828
1182 1 18 . 1 1 14 14 HIS CB C 14 30.785 30.785 31.404 -0.619 19828
1183 1 18 . 1 1 14 14 HIS H H 14 7.824 7.824 7.661 0.163 19828
1184 1 18 . 1 1 15 15 ILE N N 15 119.074 119.074 120.447 -1.373 19828
1185 1 18 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.992 0.322 19828
1186 1 18 . 1 1 15 15 ILE CA C 15 60.556 60.556 63.682 -3.126 19828
1187 1 18 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.483 -0.616 19828
1188 1 18 . 1 1 15 15 ILE H H 15 7.857 7.857 8.228 -0.371 19828
1189 1 19 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.391 -0.183 19828
1190 1 19 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.940 1.664 19828
1191 1 19 . 1 1 2 2 LYS CB C 2 32.800 32.800 32.790 0.010 19828
1192 1 19 . 1 1 3 3 PHE N N 3 120.909 120.909 121.188 -0.279 19828
1193 1 19 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.076 0.340 19828
1194 1 19 . 1 1 3 3 PHE CA C 3 60.640 60.640 60.037 0.603 19828
1195 1 19 . 1 1 3 3 PHE CB C 3 38.442 38.442 38.454 -0.012 19828
1196 1 19 . 1 1 3 3 PHE H H 3 8.980 8.980 8.537 0.443 19828
1197 1 19 . 1 1 4 4 ARG N N 4 119.516 119.516 118.619 0.897 19828
1198 1 19 . 1 1 4 4 ARG HA H 4 3.864 3.864 4.021 -0.157 19828
1199 1 19 . 1 1 4 4 ARG CA C 4 59.263 59.263 58.523 0.740 19828
1200 1 19 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.314 0.143 19828
1201 1 19 . 1 1 4 4 ARG H H 4 8.986 8.986 7.475 1.511 19828
1202 1 19 . 1 1 5 5 ARG N N 5 119.466 119.466 118.861 0.605 19828
1203 1 19 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.254 -0.129 19828
1204 1 19 . 1 1 5 5 ARG CA C 5 58.426 58.426 57.638 0.788 19828
1205 1 19 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.644 -0.378 19828
1206 1 19 . 1 1 5 5 ARG H H 5 7.997 7.997 7.477 0.520 19828
1207 1 19 . 1 1 6 6 TYR N N 6 118.856 118.856 118.288 0.568 19828
1208 1 19 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.811 -0.105 19828
1209 1 19 . 1 1 6 6 TYR H H 6 7.995 7.995 7.713 0.282 19828
1210 1 19 . 1 1 7 7 LEU N N 7 117.830 117.830 117.061 0.769 19828
1211 1 19 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.358 -0.222 19828
1212 1 19 . 1 1 7 7 LEU CA C 7 57.261 57.261 57.002 0.259 19828
1213 1 19 . 1 1 7 7 LEU CB C 7 41.612 41.612 40.920 0.692 19828
1214 1 19 . 1 1 7 7 LEU H H 7 8.106 8.106 7.656 0.450 19828
1215 1 19 . 1 1 8 8 SER N N 8 113.703 113.703 114.998 -1.295 19828
1216 1 19 . 1 1 8 8 SER HA H 8 4.191 4.191 4.563 -0.372 19828
1217 1 19 . 1 1 8 8 SER CA C 8 61.537 61.537 61.235 0.302 19828
1218 1 19 . 1 1 8 8 SER CB C 8 62.607 62.607 64.381 -1.774 19828
1219 1 19 . 1 1 8 8 SER H H 8 8.090 8.090 7.824 0.266 19828
1220 1 19 . 1 1 9 9 VAL N N 9 120.306 120.306 119.973 0.333 19828
1221 1 19 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.727 -0.008 19828
1222 1 19 . 1 1 9 9 VAL CA C 9 65.380 65.380 66.164 -0.784 19828
1223 1 19 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.261 0.152 19828
1224 1 19 . 1 1 9 9 VAL H H 9 7.756 7.756 8.514 -0.758 19828
1225 1 19 . 1 1 10 10 PHE N N 10 119.347 119.347 121.545 -2.198 19828
1226 1 19 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.190 0.024 19828
1227 1 19 . 1 1 10 10 PHE CA C 10 60.757 60.757 60.537 0.220 19828
1228 1 19 . 1 1 10 10 PHE CB C 10 39.205 39.205 38.992 0.213 19828
1229 1 19 . 1 1 10 10 PHE H H 10 7.903 7.903 7.748 0.155 19828
1230 1 19 . 1 1 11 11 PHE N N 11 116.549 116.549 117.201 -0.652 19828
1231 1 19 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.073 0.278 19828
1232 1 19 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.178 -1.335 19828
1233 1 19 . 1 1 11 11 PHE CB C 11 38.992 38.992 38.916 0.076 19828
1234 1 19 . 1 1 11 11 PHE H H 11 8.353 8.353 8.411 -0.058 19828
1235 1 19 . 1 1 12 12 ARG N N 12 118.598 118.598 119.454 -0.856 19828
1236 1 19 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.240 -0.115 19828
1237 1 19 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.633 0.122 19828
1238 1 19 . 1 1 12 12 ARG CB C 12 29.799 29.799 30.024 -0.225 19828
1239 1 19 . 1 1 12 12 ARG H H 12 8.054 8.054 7.669 0.385 19828
1240 1 19 . 1 1 13 13 LYS N N 13 118.191 118.191 117.916 0.275 19828
1241 1 19 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.224 -0.117 19828
1242 1 19 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.351 -1.403 19828
1243 1 19 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.868 -0.484 19828
1244 1 19 . 1 1 13 13 LYS H H 13 7.985 7.985 8.277 -0.292 19828
1245 1 19 . 1 1 14 14 HIS N N 14 116.316 116.316 116.378 -0.062 19828
1246 1 19 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.383 0.247 19828
1247 1 19 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.865 -1.427 19828
1248 1 19 . 1 1 14 14 HIS CB C 14 30.785 30.785 31.258 -0.473 19828
1249 1 19 . 1 1 14 14 HIS H H 14 7.824 7.824 7.582 0.242 19828
1250 1 19 . 1 1 15 15 ILE N N 15 119.074 119.074 120.322 -1.248 19828
1251 1 19 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.947 0.367 19828
1252 1 19 . 1 1 15 15 ILE CA C 15 60.556 60.556 63.539 -2.983 19828
1253 1 19 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.453 -0.585 19828
1254 1 19 . 1 1 15 15 ILE H H 15 7.857 7.857 8.102 -0.245 19828
1255 1 20 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.652 -0.444 19828
1256 1 20 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.931 1.673 19828
1257 1 20 . 1 1 2 2 LYS CB C 2 32.800 32.800 32.241 0.559 19828
1258 1 20 . 1 1 3 3 PHE N N 3 120.909 120.909 121.738 -0.829 19828
1259 1 20 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.584 -0.168 19828
1260 1 20 . 1 1 3 3 PHE CA C 3 60.640 60.640 59.596 1.044 19828
1261 1 20 . 1 1 3 3 PHE CB C 3 38.442 38.442 40.102 -1.660 19828
1262 1 20 . 1 1 3 3 PHE H H 3 8.980 8.980 8.472 0.508 19828
1263 1 20 . 1 1 4 4 ARG N N 4 119.516 119.516 119.761 -0.245 19828
1264 1 20 . 1 1 4 4 ARG HA H 4 3.864 3.864 4.091 -0.227 19828
1265 1 20 . 1 1 4 4 ARG CA C 4 59.263 59.263 57.943 1.320 19828
1266 1 20 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.267 0.190 19828
1267 1 20 . 1 1 4 4 ARG H H 4 8.986 8.986 8.512 0.474 19828
1268 1 20 . 1 1 5 5 ARG N N 5 119.466 119.466 120.018 -0.552 19828
1269 1 20 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.030 0.095 19828
1270 1 20 . 1 1 5 5 ARG CA C 5 58.426 58.426 59.181 -0.755 19828
1271 1 20 . 1 1 5 5 ARG CB C 5 29.266 29.266 28.912 0.354 19828
1272 1 20 . 1 1 5 5 ARG H H 5 7.997 7.997 8.516 -0.519 19828
1273 1 20 . 1 1 6 6 TYR N N 6 118.856 118.856 116.273 2.583 19828
1274 1 20 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.616 0.090 19828
1275 1 20 . 1 1 6 6 TYR H H 6 7.995 7.995 7.452 0.543 19828
1276 1 20 . 1 1 7 7 LEU N N 7 117.830 117.830 117.882 -0.052 19828
1277 1 20 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.475 -0.339 19828
1278 1 20 . 1 1 7 7 LEU CA C 7 57.261 57.261 57.311 -0.050 19828
1279 1 20 . 1 1 7 7 LEU CB C 7 41.612 41.612 42.019 -0.407 19828
1280 1 20 . 1 1 7 7 LEU H H 7 8.106 8.106 7.222 0.884 19828
1281 1 20 . 1 1 8 8 SER N N 8 113.703 113.703 115.051 -1.348 19828
1282 1 20 . 1 1 8 8 SER HA H 8 4.191 4.191 4.518 -0.327 19828
1283 1 20 . 1 1 8 8 SER CA C 8 61.537 61.537 61.121 0.416 19828
1284 1 20 . 1 1 8 8 SER CB C 8 62.607 62.607 63.632 -1.024 19828
1285 1 20 . 1 1 8 8 SER H H 8 8.090 8.090 7.896 0.194 19828
1286 1 20 . 1 1 9 9 VAL N N 9 120.306 120.306 120.480 -0.174 19828
1287 1 20 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.716 0.003 19828
1288 1 20 . 1 1 9 9 VAL CA C 9 65.380 65.380 65.492 -0.112 19828
1289 1 20 . 1 1 9 9 VAL CB C 9 31.412 31.412 30.308 1.104 19828
1290 1 20 . 1 1 9 9 VAL H H 9 7.756 7.756 8.624 -0.868 19828
1291 1 20 . 1 1 10 10 PHE N N 10 119.347 119.347 119.330 0.017 19828
1292 1 20 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.210 0.004 19828
1293 1 20 . 1 1 10 10 PHE CA C 10 60.757 60.757 61.452 -0.695 19828
1294 1 20 . 1 1 10 10 PHE CB C 10 39.205 39.205 38.648 0.557 19828
1295 1 20 . 1 1 10 10 PHE H H 10 7.903 7.903 7.758 0.145 19828
1296 1 20 . 1 1 11 11 PHE N N 11 116.549 116.549 117.629 -1.080 19828
1297 1 20 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.554 -0.203 19828
1298 1 20 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.322 -1.478 19828
1299 1 20 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.144 -0.152 19828
1300 1 20 . 1 1 11 11 PHE H H 11 8.353 8.353 8.489 -0.136 19828
1301 1 20 . 1 1 12 12 ARG N N 12 118.598 118.598 119.423 -0.825 19828
1302 1 20 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.272 -0.147 19828
1303 1 20 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.392 0.363 19828
1304 1 20 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.958 -0.159 19828
1305 1 20 . 1 1 12 12 ARG H H 12 8.054 8.054 7.840 0.214 19828
1306 1 20 . 1 1 13 13 LYS N N 13 118.191 118.191 117.836 0.355 19828
1307 1 20 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.195 -0.088 19828
1308 1 20 . 1 1 13 13 LYS CA C 13 56.948 56.948 57.928 -0.980 19828
1309 1 20 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.447 -0.063 19828
1310 1 20 . 1 1 13 13 LYS H H 13 7.985 7.985 8.257 -0.272 19828
1311 1 20 . 1 1 14 14 HIS N N 14 116.316 116.316 116.363 -0.047 19828
1312 1 20 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.567 0.063 19828
1313 1 20 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.893 -1.455 19828
1314 1 20 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.753 0.032 19828
1315 1 20 . 1 1 14 14 HIS H H 14 7.824 7.824 7.629 0.195 19828
1316 1 20 . 1 1 15 15 ILE N N 15 119.074 119.074 120.720 -1.646 19828
1317 1 20 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.987 0.327 19828
1318 1 20 . 1 1 15 15 ILE CA C 15 60.556 60.556 63.784 -3.228 19828
1319 1 20 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.367 -0.500 19828
1320 1 20 . 1 1 15 15 ILE H H 15 7.857 7.857 8.342 -0.485 19828
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Entity_delta_chem_shifts_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Data_low_range
_SPARTA_output.Data_high_range
_SPARTA_output.Entry_ID
1 1 1 "Average Difference" N 13 1.193 0.621 1.060 19828
2 1 1 "Average Difference" HA 13 0.182 -0.043 0.184 19828
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19828
4 1 1 "Average Difference" CA 13 1.356 0.430 1.338 19828
5 1 1 "Average Difference" CB 14 0.516 0.046 0.534 19828
6 1 1 "Average Difference" HN 13 0.532 -0.302 0.455 19828
7 1 2 "Average Difference" N 13 2.007 0.733 1.944 19828
8 1 2 "Average Difference" HA 13 0.237 -0.022 0.245 19828
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19828
10 1 2 "Average Difference" CA 13 1.426 0.470 1.401 19828
11 1 2 "Average Difference" CB 14 0.483 0.026 0.501 19828
12 1 2 "Average Difference" HN 13 0.559 -0.187 0.548 19828
13 1 3 "Average Difference" N 13 1.004 0.287 1.002 19828
14 1 3 "Average Difference" HA 13 0.190 0.005 0.198 19828
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19828
16 1 3 "Average Difference" CA 13 1.460 0.421 1.455 19828
17 1 3 "Average Difference" CB 14 0.600 -0.040 0.621 19828
18 1 3 "Average Difference" HN 13 0.589 -0.138 0.596 19828
19 1 4 "Average Difference" N 13 1.161 0.500 1.091 19828
20 1 4 "Average Difference" HA 13 0.221 -0.021 0.229 19828
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19828
22 1 4 "Average Difference" CA 13 1.380 0.254 1.412 19828
23 1 4 "Average Difference" CB 14 0.494 -0.028 0.512 19828
24 1 4 "Average Difference" HN 13 0.627 -0.287 0.580 19828
25 1 5 "Average Difference" N 13 0.954 0.305 0.941 19828
26 1 5 "Average Difference" HA 13 0.210 -0.025 0.217 19828
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19828
28 1 5 "Average Difference" CA 13 1.517 0.345 1.538 19828
29 1 5 "Average Difference" CB 14 0.643 0.251 0.614 19828
30 1 5 "Average Difference" HN 13 0.540 -0.151 0.540 19828
31 1 6 "Average Difference" N 13 0.998 0.380 0.961 19828
32 1 6 "Average Difference" HA 13 0.219 0.013 0.227 19828
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19828
34 1 6 "Average Difference" CA 13 1.385 0.204 1.426 19828
35 1 6 "Average Difference" CB 14 0.505 0.019 0.524 19828
36 1 6 "Average Difference" HN 13 0.574 -0.289 0.517 19828
37 1 7 "Average Difference" N 13 1.134 0.682 0.943 19828
38 1 7 "Average Difference" HA 13 0.212 -0.020 0.220 19828
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19828
40 1 7 "Average Difference" CA 13 1.463 0.415 1.460 19828
41 1 7 "Average Difference" CB 14 0.492 -0.036 0.509 19828
42 1 7 "Average Difference" HN 13 0.611 -0.215 0.596 19828
43 1 8 "Average Difference" N 13 1.432 0.096 1.487 19828
44 1 8 "Average Difference" HA 13 0.188 0.003 0.196 19828
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19828
46 1 8 "Average Difference" CA 13 1.511 0.327 1.535 19828
47 1 8 "Average Difference" CB 14 0.526 0.015 0.545 19828
48 1 8 "Average Difference" HN 13 0.631 -0.185 0.628 19828
49 1 9 "Average Difference" N 13 1.197 0.460 1.150 19828
50 1 9 "Average Difference" HA 13 0.211 -0.017 0.219 19828
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19828
52 1 9 "Average Difference" CA 13 1.474 0.351 1.490 19828
53 1 9 "Average Difference" CB 14 0.518 -0.005 0.538 19828
54 1 9 "Average Difference" HN 13 0.631 -0.308 0.574 19828
55 1 10 "Average Difference" N 13 1.697 0.527 1.679 19828
56 1 10 "Average Difference" HA 13 0.235 -0.000 0.245 19828
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19828
58 1 10 "Average Difference" CA 13 1.454 0.482 1.428 19828
59 1 10 "Average Difference" CB 14 0.570 -0.051 0.589 19828
60 1 10 "Average Difference" HN 13 0.574 -0.103 0.588 19828
61 1 11 "Average Difference" N 13 1.280 0.380 1.272 19828
62 1 11 "Average Difference" HA 13 0.207 -0.006 0.216 19828
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19828
64 1 11 "Average Difference" CA 13 1.473 0.468 1.454 19828
65 1 11 "Average Difference" CB 14 0.587 0.201 0.572 19828
66 1 11 "Average Difference" HN 13 0.504 -0.118 0.510 19828
67 1 12 "Average Difference" N 13 1.770 0.596 1.734 19828
68 1 12 "Average Difference" HA 13 0.193 0.006 0.201 19828
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19828
70 1 12 "Average Difference" CA 13 1.432 0.436 1.419 19828
71 1 12 "Average Difference" CB 14 0.507 0.093 0.517 19828
72 1 12 "Average Difference" HN 13 0.425 -0.152 0.413 19828
73 1 13 "Average Difference" N 13 1.279 0.441 1.250 19828
74 1 13 "Average Difference" HA 13 0.174 -0.020 0.180 19828
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19828
76 1 13 "Average Difference" CA 13 1.451 0.705 1.320 19828
77 1 13 "Average Difference" CB 14 0.581 -0.068 0.599 19828
78 1 13 "Average Difference" HN 13 0.557 -0.178 0.549 19828
79 1 14 "Average Difference" N 13 1.325 0.296 1.344 19828
80 1 14 "Average Difference" HA 13 0.178 -0.035 0.182 19828
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19828
82 1 14 "Average Difference" CA 13 1.201 0.514 1.130 19828
83 1 14 "Average Difference" CB 14 0.377 -0.058 0.387 19828
84 1 14 "Average Difference" HN 13 0.539 -0.223 0.510 19828
85 1 15 "Average Difference" N 13 1.439 0.159 1.489 19828
86 1 15 "Average Difference" HA 13 0.187 0.051 0.187 19828
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19828
88 1 15 "Average Difference" CA 13 1.321 0.343 1.328 19828
89 1 15 "Average Difference" CB 14 0.661 0.368 0.569 19828
90 1 15 "Average Difference" HN 13 0.523 -0.253 0.476 19828
91 1 16 "Average Difference" N 13 0.966 0.074 1.002 19828
92 1 16 "Average Difference" HA 13 0.197 0.066 0.193 19828
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19828
94 1 16 "Average Difference" CA 13 1.273 0.365 1.269 19828
95 1 16 "Average Difference" CB 14 0.481 0.157 0.472 19828
96 1 16 "Average Difference" HN 13 0.571 -0.131 0.579 19828
97 1 17 "Average Difference" N 13 1.345 0.525 1.289 19828
98 1 17 "Average Difference" HA 13 0.204 -0.025 0.211 19828
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19828
100 1 17 "Average Difference" CA 13 1.487 0.543 1.441 19828
101 1 17 "Average Difference" CB 14 0.388 0.182 0.355 19828
102 1 17 "Average Difference" HN 13 0.451 -0.185 0.428 19828
103 1 18 "Average Difference" N 13 0.929 0.128 0.957 19828
104 1 18 "Average Difference" HA 13 0.160 -0.016 0.166 19828
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19828
106 1 18 "Average Difference" CA 13 1.257 0.485 1.207 19828
107 1 18 "Average Difference" CB 14 0.455 0.111 0.458 19828
108 1 18 "Average Difference" HN 13 0.544 -0.158 0.542 19828
109 1 19 "Average Difference" N 13 0.944 0.242 0.949 19828
110 1 19 "Average Difference" HA 13 0.228 0.004 0.238 19828
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19828
112 1 19 "Average Difference" CA 13 1.235 0.249 1.259 19828
113 1 19 "Average Difference" CB 14 0.581 0.196 0.567 19828
114 1 19 "Average Difference" HN 13 0.559 -0.223 0.533 19828
115 1 20 "Average Difference" N 13 1.047 0.296 1.046 19828
116 1 20 "Average Difference" HA 13 0.230 0.112 0.210 19828
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19828
118 1 20 "Average Difference" CA 13 1.321 0.303 1.338 19828
119 1 20 "Average Difference" CB 14 0.670 0.077 0.691 19828
120 1 20 "Average Difference" HN 13 0.485 -0.067 0.499 19828
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 19828
_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 LYS HA H 2 4.208 4.208 4.487 -0.279 19828
2 1 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.920 1.684 19828
3 1 . 1 1 2 2 LYS CB C 2 32.800 32.800 32.749 0.051 19828
4 1 . 1 1 3 3 PHE N N 3 120.909 120.909 122.022 -1.113 19828
5 1 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.467 -0.051 19828
6 1 . 1 1 3 3 PHE CA C 3 60.640 60.640 59.677 0.963 19828
7 1 . 1 1 3 3 PHE CB C 3 38.442 38.442 39.129 -0.687 19828
8 1 . 1 1 3 3 PHE H H 3 8.980 8.980 8.479 0.501 19828
9 1 . 1 1 4 4 ARG N N 4 119.516 119.516 119.423 0.093 19828
10 1 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.804 0.060 19828
11 1 . 1 1 4 4 ARG CA C 4 59.263 59.263 58.750 0.513 19828
12 1 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.212 0.245 19828
13 1 . 1 1 4 4 ARG H H 4 8.986 8.986 7.953 1.033 19828
14 1 . 1 1 5 5 ARG N N 5 119.466 119.466 119.479 -0.013 19828
15 1 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.029 0.096 19828
16 1 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.611 -0.185 19828
17 1 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.242 0.024 19828
18 1 . 1 1 5 5 ARG H H 5 7.997 7.997 7.670 0.327 19828
19 1 . 1 1 6 6 TYR N N 6 118.856 118.856 117.634 1.222 19828
20 1 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.701 0.005 19828
21 1 . 1 1 6 6 TYR H H 6 7.995 7.995 7.460 0.535 19828
22 1 . 1 1 7 7 LEU N N 7 117.830 117.830 117.994 -0.164 19828
23 1 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.194 -0.058 19828
24 1 . 1 1 7 7 LEU CA C 7 57.261 57.261 57.096 0.165 19828
25 1 . 1 1 7 7 LEU CB C 7 41.612 41.612 41.420 0.192 19828
26 1 . 1 1 7 7 LEU H H 7 8.106 8.106 7.389 0.717 19828
27 1 . 1 1 8 8 SER N N 8 113.703 113.703 115.086 -1.383 19828
28 1 . 1 1 8 8 SER HA H 8 4.191 4.191 4.371 -0.180 19828
29 1 . 1 1 8 8 SER CA C 8 61.537 61.537 61.311 0.226 19828
30 1 . 1 1 8 8 SER CB C 8 62.607 62.607 63.742 -1.135 19828
31 1 . 1 1 8 8 SER H H 8 8.090 8.090 7.761 0.329 19828
32 1 . 1 1 9 9 VAL N N 9 120.306 120.306 119.396 0.910 19828
33 1 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.777 -0.058 19828
34 1 . 1 1 9 9 VAL CA C 9 65.380 65.380 66.025 -0.645 19828
35 1 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.167 0.245 19828
36 1 . 1 1 9 9 VAL H H 9 7.756 7.756 8.481 -0.725 19828
37 1 . 1 1 10 10 PHE N N 10 119.347 119.347 120.248 -0.901 19828
38 1 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.282 -0.069 19828
39 1 . 1 1 10 10 PHE CA C 10 60.757 60.757 61.098 -0.341 19828
40 1 . 1 1 10 10 PHE CB C 10 39.205 39.205 38.899 0.306 19828
41 1 . 1 1 10 10 PHE H H 10 7.903 7.903 7.847 0.056 19828
42 1 . 1 1 11 11 PHE N N 11 116.549 116.549 118.176 -1.627 19828
43 1 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.369 -0.018 19828
44 1 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.053 -1.209 19828
45 1 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.245 -0.253 19828
46 1 . 1 1 11 11 PHE H H 11 8.353 8.353 8.225 0.128 19828
47 1 . 1 1 12 12 ARG N N 12 118.598 118.598 119.356 -0.758 19828
48 1 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.210 -0.085 19828
49 1 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.746 0.009 19828
50 1 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.768 0.031 19828
51 1 . 1 1 12 12 ARG H H 12 8.054 8.054 7.974 0.080 19828
52 1 . 1 1 13 13 LYS N N 13 118.191 118.191 118.669 -0.478 19828
53 1 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.089 0.018 19828
54 1 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.603 -1.655 19828
55 1 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.316 0.068 19828
56 1 . 1 1 13 13 LYS H H 13 7.985 7.985 8.139 -0.154 19828
57 1 . 1 1 14 14 HIS N N 14 116.316 116.316 115.675 0.641 19828
58 1 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.440 0.190 19828
59 1 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.740 -1.302 19828
60 1 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.539 0.246 19828
61 1 . 1 1 14 14 HIS H H 14 7.824 7.824 7.661 0.162 19828
62 1 . 1 1 15 15 ILE N N 15 119.074 119.074 120.525 -1.451 19828
63 1 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.887 0.427 19828
64 1 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.052 -3.496 19828
65 1 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.224 -0.357 19828
66 1 . 1 1 15 15 ILE H H 15 7.857 7.857 8.344 -0.487 19828
stop_
save_