data_19531
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19531
_Entry.PDB_ID 2MET
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 19531
_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 N N 2 121.638 121.638 120.875 0.763 19531
2 1 1 . 1 1 2 2 LYS HA H 2 4.158 4.158 4.244 -0.086 19531
3 1 1 . 1 1 2 2 LYS C C 2 176.441 176.441 178.610 -2.169 19531
4 1 1 . 1 1 2 2 LYS CA C 2 57.601 57.601 58.211 -0.610 19531
5 1 1 . 1 1 2 2 LYS CB C 2 32.121 32.121 32.037 0.084 19531
6 1 1 . 1 1 2 2 LYS H H 2 8.417 8.417 8.195 0.222 19531
7 1 1 . 1 1 3 3 THR N N 3 114.230 114.230 115.303 -1.073 19531
8 1 1 . 1 1 3 3 THR HA H 3 4.123 4.123 4.145 -0.022 19531
9 1 1 . 1 1 3 3 THR C C 3 174.346 174.346 176.261 -1.915 19531
10 1 1 . 1 1 3 3 THR CA C 3 63.394 63.394 65.710 -2.317 19531
11 1 1 . 1 1 3 3 THR CB C 3 68.478 68.478 68.302 0.176 19531
12 1 1 . 1 1 3 3 THR H H 3 7.990 7.990 8.208 -0.218 19531
13 1 1 . 1 1 4 4 ASN N N 4 120.011 120.011 118.246 1.765 19531
14 1 1 . 1 1 4 4 ASN HA H 4 4.613 4.613 4.404 0.209 19531
15 1 1 . 1 1 4 4 ASN C C 4 176.190 176.190 177.409 -1.219 19531
16 1 1 . 1 1 4 4 ASN CA C 4 54.387 54.387 56.175 -1.788 19531
17 1 1 . 1 1 4 4 ASN CB C 4 37.862 37.862 37.998 -0.136 19531
18 1 1 . 1 1 4 4 ASN H H 4 8.081 8.081 8.445 -0.364 19531
19 1 1 . 1 1 5 5 LEU N N 5 121.330 121.330 120.429 0.901 19531
20 1 1 . 1 1 5 5 LEU HA H 5 4.066 4.066 3.896 0.170 19531
21 1 1 . 1 1 5 5 LEU C C 5 177.336 177.336 179.077 -1.741 19531
22 1 1 . 1 1 5 5 LEU CA C 5 57.390 57.390 58.061 -0.671 19531
23 1 1 . 1 1 5 5 LEU CB C 5 41.266 41.266 41.663 -0.397 19531
24 1 1 . 1 1 5 5 LEU H H 5 8.267 8.267 8.169 0.098 19531
25 1 1 . 1 1 6 6 GLU N N 6 116.966 116.966 118.088 -1.122 19531
26 1 1 . 1 1 6 6 GLU HA H 6 3.745 3.745 4.082 -0.337 19531
27 1 1 . 1 1 6 6 GLU C C 6 176.943 176.943 179.042 -2.099 19531
28 1 1 . 1 1 6 6 GLU CA C 6 59.511 59.511 59.281 0.230 19531
29 1 1 . 1 1 6 6 GLU CB C 6 27.497 27.497 28.855 -1.358 19531
30 1 1 . 1 1 6 6 GLU H H 6 8.243 8.243 8.123 0.120 19531
31 1 1 . 1 1 7 7 ILE N N 7 117.410 117.410 119.862 -2.452 19531
32 1 1 . 1 1 7 7 ILE HA H 7 3.716 3.716 3.726 -0.010 19531
33 1 1 . 1 1 7 7 ILE C C 7 176.932 176.932 178.006 -1.074 19531
34 1 1 . 1 1 7 7 ILE CA C 7 64.027 64.027 64.672 -0.645 19531
35 1 1 . 1 1 7 7 ILE CB C 7 36.758 36.758 37.478 -0.720 19531
36 1 1 . 1 1 7 7 ILE H H 7 7.776 7.776 8.020 -0.244 19531
37 1 1 . 1 1 8 8 ILE N N 8 120.195 120.195 121.070 -0.875 19531
38 1 1 . 1 1 8 8 ILE HA H 8 3.873 3.873 3.724 0.149 19531
39 1 1 . 1 1 8 8 ILE C C 8 177.565 177.565 177.939 -0.374 19531
40 1 1 . 1 1 8 8 ILE CA C 8 64.395 64.395 65.940 -1.545 19531
41 1 1 . 1 1 8 8 ILE CB C 8 36.982 36.982 38.131 -1.149 19531
42 1 1 . 1 1 8 8 ILE H H 8 7.775 7.775 7.745 0.030 19531
43 1 1 . 1 1 9 9 ILE N N 9 119.224 119.224 119.611 -0.387 19531
44 1 1 . 1 1 9 9 ILE HA H 9 3.769 3.769 3.773 -0.004 19531
45 1 1 . 1 1 9 9 ILE C C 9 178.886 178.886 177.952 0.934 19531
46 1 1 . 1 1 9 9 ILE CA C 9 64.384 64.384 64.715 -0.331 19531
47 1 1 . 1 1 9 9 ILE CB C 9 36.685 36.685 37.856 -1.171 19531
48 1 1 . 1 1 9 9 ILE H H 9 8.251 8.251 7.683 0.568 19531
49 1 1 . 1 1 10 10 LEU N N 10 123.325 123.325 120.797 2.528 19531
50 1 1 . 1 1 10 10 LEU HA H 10 4.067 4.067 4.020 0.047 19531
51 1 1 . 1 1 10 10 LEU C C 10 177.675 177.675 178.917 -1.242 19531
52 1 1 . 1 1 10 10 LEU CA C 10 58.240 58.240 57.951 0.289 19531
53 1 1 . 1 1 10 10 LEU CB C 10 41.314 41.314 41.813 -0.499 19531
54 1 1 . 1 1 10 10 LEU H H 10 8.324 8.324 8.451 -0.127 19531
55 1 1 . 1 1 11 11 GLU N N 11 117.683 117.683 118.987 -1.304 19531
56 1 1 . 1 1 11 11 GLU HA H 11 3.873 3.873 3.995 -0.122 19531
57 1 1 . 1 1 11 11 GLU C C 11 177.653 177.653 179.199 -1.546 19531
58 1 1 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.907 -0.654 19531
59 1 1 . 1 1 11 11 GLU CB C 11 27.731 27.731 29.215 -1.484 19531
60 1 1 . 1 1 11 11 GLU H H 11 8.813 8.813 8.584 0.229 19531
61 1 1 . 1 1 12 12 GLY N N 12 105.086 105.086 107.054 -1.968 19531
62 1 1 . 1 1 12 12 GLY C C 12 174.335 174.335 176.023 -1.688 19531
63 1 1 . 1 1 12 12 GLY CA C 12 46.866 46.866 47.066 -0.200 19531
64 1 1 . 1 1 12 12 GLY H H 12 8.982 8.982 8.086 0.896 19531
65 1 1 . 1 1 13 13 THR N N 13 117.460 117.460 119.099 -1.639 19531
66 1 1 . 1 1 13 13 THR HA H 13 3.807 3.807 3.808 -0.001 19531
67 1 1 . 1 1 13 13 THR C C 13 174.935 174.935 176.470 -1.535 19531
68 1 1 . 1 1 13 13 THR CA C 13 67.282 67.282 66.239 1.043 19531
69 1 1 . 1 1 13 13 THR CB C 13 68.420 68.420 68.347 0.073 19531
70 1 1 . 1 1 13 13 THR H H 13 8.390 8.390 7.567 0.823 19531
71 1 1 . 1 1 14 14 ALA N N 14 123.171 123.171 124.589 -1.418 19531
72 1 1 . 1 1 14 14 ALA HA H 14 3.934 3.934 4.024 -0.090 19531
73 1 1 . 1 1 14 14 ALA C C 14 178.067 178.067 179.307 -1.240 19531
74 1 1 . 1 1 14 14 ALA CA C 14 54.902 54.902 55.159 -0.257 19531
75 1 1 . 1 1 14 14 ALA CB C 14 17.380 17.380 18.147 -0.767 19531
76 1 1 . 1 1 14 14 ALA H H 14 8.038 8.038 8.052 -0.014 19531
77 1 1 . 1 1 15 15 VAL N N 15 116.350 116.350 117.700 -1.350 19531
78 1 1 . 1 1 15 15 VAL HA H 15 3.543 3.543 3.612 -0.069 19531
79 1 1 . 1 1 15 15 VAL C C 15 176.683 176.683 178.092 -1.409 19531
80 1 1 . 1 1 15 15 VAL CA C 15 66.397 66.397 66.207 0.190 19531
81 1 1 . 1 1 15 15 VAL CB C 15 30.720 30.720 31.568 -0.848 19531
82 1 1 . 1 1 15 15 VAL H H 15 7.806 7.806 7.467 0.339 19531
83 1 1 . 1 1 16 16 ILE N N 16 119.033 119.033 121.027 -1.994 19531
84 1 1 . 1 1 16 16 ILE HA H 16 3.578 3.578 3.293 0.285 19531
85 1 1 . 1 1 16 16 ILE C C 16 176.725 176.725 176.696 0.029 19531
86 1 1 . 1 1 16 16 ILE CA C 16 64.497 64.497 64.960 -0.463 19531
87 1 1 . 1 1 16 16 ILE CB C 16 36.631 36.631 37.276 -0.645 19531
88 1 1 . 1 1 16 16 ILE H H 16 7.888 7.888 8.227 -0.339 19531
89 1 1 . 1 1 17 17 ALA N N 17 121.070 121.070 121.764 -0.694 19531
90 1 1 . 1 1 17 17 ALA HA H 17 3.755 3.755 3.537 0.218 19531
91 1 1 . 1 1 17 17 ALA C C 17 178.412 178.412 179.355 -0.943 19531
92 1 1 . 1 1 17 17 ALA CA C 17 55.117 55.117 54.697 0.420 19531
93 1 1 . 1 1 17 17 ALA CB C 17 17.292 17.292 17.621 -0.329 19531
94 1 1 . 1 1 17 17 ALA H H 17 8.339 8.339 7.794 0.545 19531
95 1 1 . 1 1 18 18 MET N N 18 115.503 115.503 117.567 -2.064 19531
96 1 1 . 1 1 18 18 MET HA H 18 4.197 4.197 3.877 0.320 19531
97 1 1 . 1 1 18 18 MET C C 18 177.183 177.183 178.030 -0.847 19531
98 1 1 . 1 1 18 18 MET CA C 18 58.472 58.472 59.253 -0.781 19531
99 1 1 . 1 1 18 18 MET CB C 18 32.163 32.163 32.558 -0.395 19531
100 1 1 . 1 1 18 18 MET H H 18 8.083 8.083 7.465 0.618 19531
101 1 1 . 1 1 19 19 PHE N N 19 118.667 118.667 120.351 -1.684 19531
102 1 1 . 1 1 19 19 PHE HA H 19 4.108 4.108 4.061 0.047 19531
103 1 1 . 1 1 19 19 PHE C C 19 176.162 176.162 177.963 -1.801 19531
104 1 1 . 1 1 19 19 PHE CA C 19 60.891 60.891 62.205 -1.314 19531
105 1 1 . 1 1 19 19 PHE CB C 19 38.120 38.120 39.061 -0.941 19531
106 1 1 . 1 1 19 19 PHE H H 19 8.360 8.360 7.751 0.609 19531
107 1 1 . 1 1 20 20 PHE N N 20 118.069 118.069 116.995 1.074 19531
108 1 1 . 1 1 20 20 PHE HA H 20 4.007 4.007 4.207 -0.200 19531
109 1 1 . 1 1 20 20 PHE CA C 20 61.188 61.188 60.180 1.008 19531
110 1 1 . 1 1 20 20 PHE CB C 20 38.062 38.062 37.594 0.468 19531
111 1 1 . 1 1 20 20 PHE H H 20 8.405 8.405 8.665 -0.260 19531
112 1 1 . 1 1 21 21 TRP N N 21 119.005 119.005 119.945 -0.940 19531
113 1 1 . 1 1 21 21 TRP HA H 21 4.331 4.331 4.479 -0.148 19531
114 1 1 . 1 1 21 21 TRP H H 21 8.406 8.406 8.000 0.406 19531
115 1 1 . 1 1 22 22 LEU N N 22 118.489 118.489 119.687 -1.198 19531
116 1 1 . 1 1 22 22 LEU HA H 22 3.810 3.810 3.991 -0.181 19531
117 1 1 . 1 1 22 22 LEU C C 22 177.893 177.893 179.211 -1.318 19531
118 1 1 . 1 1 22 22 LEU CA C 22 57.546 57.546 58.246 -0.700 19531
119 1 1 . 1 1 22 22 LEU CB C 22 40.825 40.825 41.575 -0.750 19531
120 1 1 . 1 1 22 22 LEU H H 22 8.161 8.161 8.505 -0.344 19531
121 1 1 . 1 1 23 23 LEU N N 23 118.413 118.413 119.888 -1.475 19531
122 1 1 . 1 1 23 23 LEU HA H 23 3.799 3.799 3.890 -0.091 19531
123 1 1 . 1 1 23 23 LEU C C 23 177.849 177.849 178.575 -0.726 19531
124 1 1 . 1 1 23 23 LEU CA C 23 57.459 57.459 58.166 -0.707 19531
125 1 1 . 1 1 23 23 LEU CB C 23 40.810 40.810 41.955 -1.145 19531
126 1 1 . 1 1 23 23 LEU H H 23 8.125 8.125 8.160 -0.035 19531
127 1 1 . 1 1 24 24 LEU N N 24 118.214 118.214 117.958 0.256 19531
128 1 1 . 1 1 24 24 LEU HA H 24 3.762 3.762 4.130 -0.368 19531
129 1 1 . 1 1 24 24 LEU C C 24 178.031 178.031 178.871 -0.840 19531
130 1 1 . 1 1 24 24 LEU CA C 24 57.671 57.671 58.080 -0.409 19531
131 1 1 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.129 -0.426 19531
132 1 1 . 1 1 24 24 LEU H H 24 8.136 8.136 7.973 0.163 19531
133 1 1 . 1 1 25 25 VAL N N 25 118.045 118.045 120.900 -2.855 19531
134 1 1 . 1 1 25 25 VAL HA H 25 3.480 3.480 3.710 -0.230 19531
135 1 1 . 1 1 25 25 VAL C C 25 177.205 177.205 177.856 -0.651 19531
136 1 1 . 1 1 25 25 VAL CA C 25 66.663 66.663 67.137 -0.474 19531
137 1 1 . 1 1 25 25 VAL CB C 25 30.678 30.678 31.737 -1.059 19531
138 1 1 . 1 1 25 25 VAL H H 25 8.070 8.070 8.242 -0.172 19531
139 1 1 . 1 1 26 26 ILE N N 26 119.465 119.465 120.420 -0.955 19531
140 1 1 . 1 1 26 26 ILE HA H 26 3.600 3.600 3.648 -0.048 19531
141 1 1 . 1 1 26 26 ILE C C 26 178.973 178.973 178.012 0.961 19531
142 1 1 . 1 1 26 26 ILE CA C 26 64.732 64.732 65.283 -0.551 19531
143 1 1 . 1 1 26 26 ILE CB C 26 36.875 36.875 37.948 -1.073 19531
144 1 1 . 1 1 26 26 ILE H H 26 8.236 8.236 7.475 0.761 19531
145 1 1 . 1 1 27 27 ILE N N 27 123.026 123.026 120.617 2.409 19531
146 1 1 . 1 1 27 27 ILE HA H 27 3.548 3.548 3.639 -0.091 19531
147 1 1 . 1 1 27 27 ILE C C 27 177.205 177.205 177.695 -0.490 19531
148 1 1 . 1 1 27 27 ILE CA C 27 65.539 65.539 65.909 -0.370 19531
149 1 1 . 1 1 27 27 ILE CB C 27 36.861 36.861 37.877 -1.016 19531
150 1 1 . 1 1 27 27 ILE H H 27 8.672 8.672 8.150 0.522 19531
151 1 1 . 1 1 28 28 LEU N N 28 120.208 120.208 119.584 0.624 19531
152 1 1 . 1 1 28 28 LEU HA H 28 3.967 3.967 3.904 0.063 19531
153 1 1 . 1 1 28 28 LEU C C 28 178.275 178.275 179.175 -0.900 19531
154 1 1 . 1 1 28 28 LEU CA C 28 57.711 57.711 58.189 -0.478 19531
155 1 1 . 1 1 28 28 LEU CB C 28 40.858 40.858 41.388 -0.530 19531
156 1 1 . 1 1 28 28 LEU H H 28 8.700 8.700 7.755 0.945 19531
157 1 1 . 1 1 29 29 ARG N N 29 117.024 117.024 118.767 -1.743 19531
158 1 1 . 1 1 29 29 ARG HA H 29 3.992 3.992 4.119 -0.127 19531
159 1 1 . 1 1 29 29 ARG C C 29 177.555 177.555 178.919 -1.364 19531
160 1 1 . 1 1 29 29 ARG CA C 29 58.169 58.169 59.692 -1.523 19531
161 1 1 . 1 1 29 29 ARG CB C 29 29.514 29.514 30.214 -0.700 19531
162 1 1 . 1 1 29 29 ARG H H 29 8.401 8.401 7.877 0.524 19531
163 1 1 . 1 1 30 30 THR N N 30 115.290 115.290 115.539 -0.249 19531
164 1 1 . 1 1 30 30 THR HA H 30 3.989 3.989 4.143 -0.154 19531
165 1 1 . 1 1 30 30 THR C C 30 175.667 175.667 175.865 -0.198 19531
166 1 1 . 1 1 30 30 THR CA C 30 65.901 65.901 66.263 -0.362 19531
167 1 1 . 1 1 30 30 THR CB C 30 68.152 68.152 68.677 -0.525 19531
168 1 1 . 1 1 30 30 THR H H 30 7.920 7.920 8.092 -0.172 19531
169 1 1 . 1 1 31 31 VAL N N 31 120.275 120.275 120.887 -0.612 19531
170 1 1 . 1 1 31 31 VAL HA H 31 3.796 3.796 3.809 -0.013 19531
171 1 1 . 1 1 31 31 VAL C C 31 176.518 176.518 177.048 -0.530 19531
172 1 1 . 1 1 31 31 VAL CA C 31 64.691 64.691 65.510 -0.819 19531
173 1 1 . 1 1 31 31 VAL CB C 31 31.135 31.135 32.005 -0.870 19531
174 1 1 . 1 1 31 31 VAL H H 31 8.296 8.296 8.061 0.235 19531
175 1 1 . 1 1 32 32 LYS N N 32 120.070 120.070 119.607 0.463 19531
176 1 1 . 1 1 32 32 LYS HA H 32 4.146 4.146 3.995 0.151 19531
177 1 1 . 1 1 32 32 LYS C C 32 177.183 177.183 178.982 -1.799 19531
178 1 1 . 1 1 32 32 LYS CA C 32 57.363 57.363 59.278 -1.915 19531
179 1 1 . 1 1 32 32 LYS CB C 32 31.916 31.916 31.792 0.124 19531
180 1 1 . 1 1 32 32 LYS H H 32 8.028 8.028 8.057 -0.029 19531
181 1 1 . 1 1 33 33 ARG N N 33 119.397 119.397 118.333 1.064 19531
182 1 1 . 1 1 33 33 ARG HA H 33 4.225 4.225 4.368 -0.143 19531
183 1 1 . 1 1 33 33 ARG C C 33 176.780 176.780 176.046 0.734 19531
184 1 1 . 1 1 33 33 ARG CA C 33 56.612 56.612 55.698 0.914 19531
185 1 1 . 1 1 33 33 ARG CB C 33 29.738 29.738 28.825 0.913 19531
186 1 1 . 1 1 33 33 ARG H H 33 7.862 7.862 7.786 0.076 19531
187 1 1 . 1 1 34 34 ALA N N 34 123.007 123.007 120.703 2.304 19531
188 1 1 . 1 1 34 34 ALA HA H 34 4.277 4.277 4.601 -0.324 19531
189 1 1 . 1 1 34 34 ALA C C 34 177.085 177.085 177.117 -0.032 19531
190 1 1 . 1 1 34 34 ALA CA C 34 52.589 52.589 51.996 0.593 19531
191 1 1 . 1 1 34 34 ALA CB C 34 18.354 18.354 20.078 -1.724 19531
192 1 1 . 1 1 34 34 ALA H H 34 8.083 8.083 7.922 0.161 19531
193 1 1 . 1 1 35 35 ASN N N 35 116.331 116.331 118.701 -2.370 19531
194 1 1 . 1 1 35 35 ASN HA H 35 4.735 4.735 4.639 0.096 19531
195 1 1 . 1 1 35 35 ASN C C 35 174.979 174.979 176.052 -1.073 19531
196 1 1 . 1 1 35 35 ASN CA C 35 52.886 52.886 54.052 -1.166 19531
197 1 1 . 1 1 35 35 ASN CB C 35 38.827 38.827 39.018 -0.191 19531
198 1 1 . 1 1 35 35 ASN H H 35 8.042 8.042 7.939 0.103 19531
199 1 1 . 1 1 36 36 GLY N N 36 108.491 108.491 108.194 0.297 19531
200 1 1 . 1 1 36 36 GLY C C 36 173.211 173.211 174.416 -1.205 19531
201 1 1 . 1 1 36 36 GLY CA C 36 44.953 44.953 44.724 0.229 19531
202 1 1 . 1 1 36 36 GLY H H 36 8.063 8.063 8.086 -0.023 19531
203 1 2 . 1 1 2 2 LYS N N 2 121.638 121.638 121.434 0.204 19531
204 1 2 . 1 1 2 2 LYS HA H 2 4.158 4.158 4.317 -0.159 19531
205 1 2 . 1 1 2 2 LYS C C 2 176.441 176.441 177.902 -1.461 19531
206 1 2 . 1 1 2 2 LYS CA C 2 57.601 57.601 58.802 -1.201 19531
207 1 2 . 1 1 2 2 LYS CB C 2 32.121 32.121 32.413 -0.292 19531
208 1 2 . 1 1 2 2 LYS H H 2 8.417 8.417 8.203 0.214 19531
209 1 2 . 1 1 3 3 THR N N 3 114.230 114.230 115.041 -0.811 19531
210 1 2 . 1 1 3 3 THR HA H 3 4.123 4.123 4.076 0.047 19531
211 1 2 . 1 1 3 3 THR C C 3 174.346 174.346 176.255 -1.909 19531
212 1 2 . 1 1 3 3 THR CA C 3 63.394 63.394 66.031 -2.637 19531
213 1 2 . 1 1 3 3 THR CB C 3 68.478 68.478 67.908 0.570 19531
214 1 2 . 1 1 3 3 THR H H 3 7.990 7.990 8.470 -0.480 19531
215 1 2 . 1 1 4 4 ASN N N 4 120.011 120.011 120.563 -0.552 19531
216 1 2 . 1 1 4 4 ASN HA H 4 4.613 4.613 4.327 0.286 19531
217 1 2 . 1 1 4 4 ASN C C 4 176.190 176.190 177.137 -0.947 19531
218 1 2 . 1 1 4 4 ASN CA C 4 54.387 54.387 56.051 -1.664 19531
219 1 2 . 1 1 4 4 ASN CB C 4 37.862 37.862 37.293 0.569 19531
220 1 2 . 1 1 4 4 ASN H H 4 8.081 8.081 7.571 0.510 19531
221 1 2 . 1 1 5 5 LEU N N 5 121.330 121.330 120.861 0.469 19531
222 1 2 . 1 1 5 5 LEU HA H 5 4.066 4.066 3.901 0.165 19531
223 1 2 . 1 1 5 5 LEU C C 5 177.336 177.336 179.217 -1.881 19531
224 1 2 . 1 1 5 5 LEU CA C 5 57.390 57.390 58.111 -0.721 19531
225 1 2 . 1 1 5 5 LEU CB C 5 41.266 41.266 41.525 -0.259 19531
226 1 2 . 1 1 5 5 LEU H H 5 8.267 8.267 8.428 -0.161 19531
227 1 2 . 1 1 6 6 GLU N N 6 116.966 116.966 118.137 -1.171 19531
228 1 2 . 1 1 6 6 GLU HA H 6 3.745 3.745 4.108 -0.363 19531
229 1 2 . 1 1 6 6 GLU C C 6 176.943 176.943 179.044 -2.101 19531
230 1 2 . 1 1 6 6 GLU CA C 6 59.511 59.511 59.173 0.338 19531
231 1 2 . 1 1 6 6 GLU CB C 6 27.497 27.497 28.822 -1.325 19531
232 1 2 . 1 1 6 6 GLU H H 6 8.243 8.243 8.173 0.070 19531
233 1 2 . 1 1 7 7 ILE N N 7 117.410 117.410 120.001 -2.591 19531
234 1 2 . 1 1 7 7 ILE HA H 7 3.716 3.716 3.724 -0.008 19531
235 1 2 . 1 1 7 7 ILE C C 7 176.932 176.932 178.033 -1.101 19531
236 1 2 . 1 1 7 7 ILE CA C 7 64.027 64.027 64.750 -0.723 19531
237 1 2 . 1 1 7 7 ILE CB C 7 36.758 36.758 37.511 -0.753 19531
238 1 2 . 1 1 7 7 ILE H H 7 7.776 7.776 8.027 -0.251 19531
239 1 2 . 1 1 8 8 ILE N N 8 120.195 120.195 121.020 -0.825 19531
240 1 2 . 1 1 8 8 ILE HA H 8 3.873 3.873 3.721 0.152 19531
241 1 2 . 1 1 8 8 ILE C C 8 177.565 177.565 177.867 -0.302 19531
242 1 2 . 1 1 8 8 ILE CA C 8 64.395 64.395 65.951 -1.556 19531
243 1 2 . 1 1 8 8 ILE CB C 8 36.982 36.982 38.137 -1.155 19531
244 1 2 . 1 1 8 8 ILE H H 8 7.775 7.775 7.765 0.010 19531
245 1 2 . 1 1 9 9 ILE N N 9 119.224 119.224 119.657 -0.433 19531
246 1 2 . 1 1 9 9 ILE HA H 9 3.769 3.769 3.714 0.055 19531
247 1 2 . 1 1 9 9 ILE C C 9 178.886 178.886 177.614 1.272 19531
248 1 2 . 1 1 9 9 ILE CA C 9 64.384 64.384 65.005 -0.621 19531
249 1 2 . 1 1 9 9 ILE CB C 9 36.685 36.685 37.950 -1.265 19531
250 1 2 . 1 1 9 9 ILE H H 9 8.251 8.251 7.676 0.575 19531
251 1 2 . 1 1 10 10 LEU N N 10 123.325 123.325 119.652 3.673 19531
252 1 2 . 1 1 10 10 LEU HA H 10 4.067 4.067 4.016 0.051 19531
253 1 2 . 1 1 10 10 LEU C C 10 177.675 177.675 179.338 -1.663 19531
254 1 2 . 1 1 10 10 LEU CA C 10 58.240 58.240 58.014 0.226 19531
255 1 2 . 1 1 10 10 LEU CB C 10 41.314 41.314 41.641 -0.327 19531
256 1 2 . 1 1 10 10 LEU H H 10 8.324 8.324 8.446 -0.122 19531
257 1 2 . 1 1 11 11 GLU N N 11 117.683 117.683 119.485 -1.802 19531
258 1 2 . 1 1 11 11 GLU HA H 11 3.873 3.873 4.013 -0.140 19531
259 1 2 . 1 1 11 11 GLU C C 11 177.653 177.653 179.167 -1.514 19531
260 1 2 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.984 -0.731 19531
261 1 2 . 1 1 11 11 GLU CB C 11 27.731 27.731 29.261 -1.530 19531
262 1 2 . 1 1 11 11 GLU H H 11 8.813 8.813 8.586 0.227 19531
263 1 2 . 1 1 12 12 GLY N N 12 105.086 105.086 107.070 -1.984 19531
264 1 2 . 1 1 12 12 GLY C C 12 174.335 174.335 176.245 -1.910 19531
265 1 2 . 1 1 12 12 GLY CA C 12 46.866 46.866 47.178 -0.312 19531
266 1 2 . 1 1 12 12 GLY H H 12 8.982 8.982 8.110 0.872 19531
267 1 2 . 1 1 13 13 THR N N 13 117.460 117.460 119.456 -1.996 19531
268 1 2 . 1 1 13 13 THR HA H 13 3.807 3.807 3.897 -0.090 19531
269 1 2 . 1 1 13 13 THR C C 13 174.935 174.935 176.523 -1.588 19531
270 1 2 . 1 1 13 13 THR CA C 13 67.282 67.282 66.461 0.821 19531
271 1 2 . 1 1 13 13 THR CB C 13 68.420 68.420 68.277 0.143 19531
272 1 2 . 1 1 13 13 THR H H 13 8.390 8.390 7.734 0.656 19531
273 1 2 . 1 1 14 14 ALA N N 14 123.171 123.171 123.901 -0.730 19531
274 1 2 . 1 1 14 14 ALA HA H 14 3.934 3.934 4.092 -0.158 19531
275 1 2 . 1 1 14 14 ALA C C 14 178.067 178.067 179.530 -1.463 19531
276 1 2 . 1 1 14 14 ALA CA C 14 54.902 54.902 55.307 -0.405 19531
277 1 2 . 1 1 14 14 ALA CB C 14 17.380 17.380 18.093 -0.713 19531
278 1 2 . 1 1 14 14 ALA H H 14 8.038 8.038 8.260 -0.222 19531
279 1 2 . 1 1 15 15 VAL N N 15 116.350 116.350 117.981 -1.631 19531
280 1 2 . 1 1 15 15 VAL HA H 15 3.543 3.543 3.654 -0.111 19531
281 1 2 . 1 1 15 15 VAL C C 15 176.683 176.683 178.107 -1.424 19531
282 1 2 . 1 1 15 15 VAL CA C 15 66.397 66.397 65.606 0.791 19531
283 1 2 . 1 1 15 15 VAL CB C 15 30.720 30.720 30.955 -0.235 19531
284 1 2 . 1 1 15 15 VAL H H 15 7.806 7.806 7.634 0.172 19531
285 1 2 . 1 1 16 16 ILE N N 16 119.033 119.033 121.694 -2.661 19531
286 1 2 . 1 1 16 16 ILE HA H 16 3.578 3.578 3.665 -0.087 19531
287 1 2 . 1 1 16 16 ILE C C 16 176.725 176.725 177.679 -0.954 19531
288 1 2 . 1 1 16 16 ILE CA C 16 64.497 64.497 65.931 -1.434 19531
289 1 2 . 1 1 16 16 ILE CB C 16 36.631 36.631 37.596 -0.965 19531
290 1 2 . 1 1 16 16 ILE H H 16 7.888 7.888 8.340 -0.452 19531
291 1 2 . 1 1 17 17 ALA N N 17 121.070 121.070 122.216 -1.146 19531
292 1 2 . 1 1 17 17 ALA HA H 17 3.755 3.755 4.029 -0.274 19531
293 1 2 . 1 1 17 17 ALA C C 17 178.412 178.412 179.980 -1.568 19531
294 1 2 . 1 1 17 17 ALA CA C 17 55.117 55.117 55.377 -0.259 19531
295 1 2 . 1 1 17 17 ALA CB C 17 17.292 17.292 18.128 -0.836 19531
296 1 2 . 1 1 17 17 ALA H H 17 8.339 8.339 8.401 -0.062 19531
297 1 2 . 1 1 18 18 MET N N 18 115.503 115.503 118.272 -2.769 19531
298 1 2 . 1 1 18 18 MET HA H 18 4.197 4.197 4.139 0.058 19531
299 1 2 . 1 1 18 18 MET C C 18 177.183 177.183 178.787 -1.604 19531
300 1 2 . 1 1 18 18 MET CA C 18 58.472 58.472 59.798 -1.326 19531
301 1 2 . 1 1 18 18 MET CB C 18 32.163 32.163 32.814 -0.651 19531
302 1 2 . 1 1 18 18 MET H H 18 8.083 8.083 7.862 0.221 19531
303 1 2 . 1 1 19 19 PHE N N 19 118.667 118.667 118.215 0.452 19531
304 1 2 . 1 1 19 19 PHE HA H 19 4.108 4.108 4.337 -0.229 19531
305 1 2 . 1 1 19 19 PHE C C 19 176.162 176.162 178.179 -2.017 19531
306 1 2 . 1 1 19 19 PHE CA C 19 60.891 60.891 59.742 1.149 19531
307 1 2 . 1 1 19 19 PHE CB C 19 38.120 38.120 38.253 -0.133 19531
308 1 2 . 1 1 19 19 PHE H H 19 8.360 8.360 8.273 0.087 19531
309 1 2 . 1 1 20 20 PHE N N 20 118.069 118.069 121.538 -3.469 19531
310 1 2 . 1 1 20 20 PHE HA H 20 4.007 4.007 4.256 -0.249 19531
311 1 2 . 1 1 20 20 PHE CA C 20 61.188 61.188 61.704 -0.516 19531
312 1 2 . 1 1 20 20 PHE CB C 20 38.062 38.062 39.418 -1.356 19531
313 1 2 . 1 1 20 20 PHE H H 20 8.405 8.405 8.880 -0.475 19531
314 1 2 . 1 1 21 21 TRP N N 21 119.005 119.005 121.057 -2.052 19531
315 1 2 . 1 1 21 21 TRP HA H 21 4.331 4.331 4.465 -0.134 19531
316 1 2 . 1 1 21 21 TRP H H 21 8.406 8.406 8.782 -0.376 19531
317 1 2 . 1 1 22 22 LEU N N 22 118.489 118.489 120.455 -1.966 19531
318 1 2 . 1 1 22 22 LEU HA H 22 3.810 3.810 4.007 -0.197 19531
319 1 2 . 1 1 22 22 LEU C C 22 177.893 177.893 179.118 -1.225 19531
320 1 2 . 1 1 22 22 LEU CA C 22 57.546 57.546 58.140 -0.594 19531
321 1 2 . 1 1 22 22 LEU CB C 22 40.825 40.825 41.683 -0.858 19531
322 1 2 . 1 1 22 22 LEU H H 22 8.161 8.161 8.206 -0.045 19531
323 1 2 . 1 1 23 23 LEU N N 23 118.413 118.413 119.335 -0.922 19531
324 1 2 . 1 1 23 23 LEU HA H 23 3.799 3.799 3.857 -0.058 19531
325 1 2 . 1 1 23 23 LEU C C 23 177.849 177.849 179.170 -1.321 19531
326 1 2 . 1 1 23 23 LEU CA C 23 57.459 57.459 58.039 -0.580 19531
327 1 2 . 1 1 23 23 LEU CB C 23 40.810 40.810 41.568 -0.757 19531
328 1 2 . 1 1 23 23 LEU H H 23 8.125 8.125 8.160 -0.035 19531
329 1 2 . 1 1 24 24 LEU N N 24 118.214 118.214 119.838 -1.624 19531
330 1 2 . 1 1 24 24 LEU HA H 24 3.762 3.762 3.960 -0.198 19531
331 1 2 . 1 1 24 24 LEU C C 24 178.031 178.031 178.733 -0.702 19531
332 1 2 . 1 1 24 24 LEU CA C 24 57.671 57.671 58.144 -0.473 19531
333 1 2 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.743 -1.040 19531
334 1 2 . 1 1 24 24 LEU H H 24 8.136 8.136 8.105 0.031 19531
335 1 2 . 1 1 25 25 VAL N N 25 118.045 118.045 119.469 -1.424 19531
336 1 2 . 1 1 25 25 VAL HA H 25 3.480 3.480 3.363 0.117 19531
337 1 2 . 1 1 25 25 VAL C C 25 177.205 177.205 177.911 -0.706 19531
338 1 2 . 1 1 25 25 VAL CA C 25 66.663 66.663 66.965 -0.302 19531
339 1 2 . 1 1 25 25 VAL CB C 25 30.678 30.678 31.545 -0.867 19531
340 1 2 . 1 1 25 25 VAL H H 25 8.070 8.070 7.812 0.258 19531
341 1 2 . 1 1 26 26 ILE N N 26 119.465 119.465 120.718 -1.253 19531
342 1 2 . 1 1 26 26 ILE HA H 26 3.600 3.600 3.635 -0.035 19531
343 1 2 . 1 1 26 26 ILE C C 26 178.973 178.973 178.028 0.945 19531
344 1 2 . 1 1 26 26 ILE CA C 26 64.732 64.732 65.684 -0.952 19531
345 1 2 . 1 1 26 26 ILE CB C 26 36.875 36.875 37.946 -1.071 19531
346 1 2 . 1 1 26 26 ILE H H 26 8.236 8.236 7.727 0.509 19531
347 1 2 . 1 1 27 27 ILE N N 27 123.026 123.026 120.378 2.648 19531
348 1 2 . 1 1 27 27 ILE HA H 27 3.548 3.548 3.642 -0.094 19531
349 1 2 . 1 1 27 27 ILE C C 27 177.205 177.205 178.050 -0.845 19531
350 1 2 . 1 1 27 27 ILE CA C 27 65.539 65.539 65.643 -0.104 19531
351 1 2 . 1 1 27 27 ILE CB C 27 36.861 36.861 37.833 -0.972 19531
352 1 2 . 1 1 27 27 ILE H H 27 8.672 8.672 8.330 0.342 19531
353 1 2 . 1 1 28 28 LEU N N 28 120.208 120.208 120.508 -0.300 19531
354 1 2 . 1 1 28 28 LEU HA H 28 3.967 3.967 3.875 0.092 19531
355 1 2 . 1 1 28 28 LEU C C 28 178.275 178.275 178.961 -0.686 19531
356 1 2 . 1 1 28 28 LEU CA C 28 57.711 57.711 58.309 -0.598 19531
357 1 2 . 1 1 28 28 LEU CB C 28 40.858 40.858 41.436 -0.578 19531
358 1 2 . 1 1 28 28 LEU H H 28 8.700 8.700 8.402 0.298 19531
359 1 2 . 1 1 29 29 ARG N N 29 117.024 117.024 119.048 -2.024 19531
360 1 2 . 1 1 29 29 ARG HA H 29 3.992 3.992 3.986 0.006 19531
361 1 2 . 1 1 29 29 ARG C C 29 177.555 177.555 178.752 -1.197 19531
362 1 2 . 1 1 29 29 ARG CA C 29 58.169 58.169 60.114 -1.945 19531
363 1 2 . 1 1 29 29 ARG CB C 29 29.514 29.514 30.186 -0.671 19531
364 1 2 . 1 1 29 29 ARG H H 29 8.401 8.401 8.355 0.046 19531
365 1 2 . 1 1 30 30 THR N N 30 115.290 115.290 115.655 -0.365 19531
366 1 2 . 1 1 30 30 THR HA H 30 3.989 3.989 4.022 -0.033 19531
367 1 2 . 1 1 30 30 THR C C 30 175.667 175.667 176.475 -0.808 19531
368 1 2 . 1 1 30 30 THR CA C 30 65.901 65.901 66.721 -0.820 19531
369 1 2 . 1 1 30 30 THR CB C 30 68.152 68.152 68.759 -0.607 19531
370 1 2 . 1 1 30 30 THR H H 30 7.920 7.920 8.103 -0.183 19531
371 1 2 . 1 1 31 31 VAL N N 31 120.275 120.275 120.529 -0.254 19531
372 1 2 . 1 1 31 31 VAL HA H 31 3.796 3.796 3.669 0.127 19531
373 1 2 . 1 1 31 31 VAL C C 31 176.518 176.518 176.838 -0.320 19531
374 1 2 . 1 1 31 31 VAL CA C 31 64.691 64.691 65.750 -1.059 19531
375 1 2 . 1 1 31 31 VAL CB C 31 31.135 31.135 31.875 -0.740 19531
376 1 2 . 1 1 31 31 VAL H H 31 8.296 8.296 7.831 0.465 19531
377 1 2 . 1 1 32 32 LYS N N 32 120.070 120.070 120.277 -0.207 19531
378 1 2 . 1 1 32 32 LYS HA H 32 4.146 4.146 3.954 0.192 19531
379 1 2 . 1 1 32 32 LYS C C 32 177.183 177.183 178.972 -1.789 19531
380 1 2 . 1 1 32 32 LYS CA C 32 57.363 57.363 59.268 -1.905 19531
381 1 2 . 1 1 32 32 LYS CB C 32 31.916 31.916 32.215 -0.299 19531
382 1 2 . 1 1 32 32 LYS H H 32 8.028 8.028 8.169 -0.141 19531
383 1 2 . 1 1 33 33 ARG N N 33 119.397 119.397 116.589 2.808 19531
384 1 2 . 1 1 33 33 ARG HA H 33 4.225 4.225 4.338 -0.113 19531
385 1 2 . 1 1 33 33 ARG C C 33 176.780 176.780 175.932 0.848 19531
386 1 2 . 1 1 33 33 ARG CA C 33 56.612 56.612 55.665 0.947 19531
387 1 2 . 1 1 33 33 ARG CB C 33 29.738 29.738 28.813 0.925 19531
388 1 2 . 1 1 33 33 ARG H H 33 7.862 7.862 7.680 0.182 19531
389 1 2 . 1 1 34 34 ALA N N 34 123.007 123.007 120.127 2.880 19531
390 1 2 . 1 1 34 34 ALA HA H 34 4.277 4.277 4.551 -0.274 19531
391 1 2 . 1 1 34 34 ALA C C 34 177.085 177.085 176.926 0.159 19531
392 1 2 . 1 1 34 34 ALA CA C 34 52.589 52.589 51.960 0.629 19531
393 1 2 . 1 1 34 34 ALA CB C 34 18.354 18.354 20.789 -2.435 19531
394 1 2 . 1 1 34 34 ALA H H 34 8.083 8.083 8.113 -0.030 19531
395 1 2 . 1 1 35 35 ASN N N 35 116.331 116.331 118.853 -2.522 19531
396 1 2 . 1 1 35 35 ASN HA H 35 4.735 4.735 4.698 0.037 19531
397 1 2 . 1 1 35 35 ASN C C 35 174.979 174.979 176.273 -1.294 19531
398 1 2 . 1 1 35 35 ASN CA C 35 52.886 52.886 53.019 -0.133 19531
399 1 2 . 1 1 35 35 ASN CB C 35 38.827 38.827 40.494 -1.667 19531
400 1 2 . 1 1 35 35 ASN H H 35 8.042 8.042 7.774 0.268 19531
401 1 2 . 1 1 36 36 GLY N N 36 108.491 108.491 109.703 -1.212 19531
402 1 2 . 1 1 36 36 GLY C C 36 173.211 173.211 174.410 -1.199 19531
403 1 2 . 1 1 36 36 GLY CA C 36 44.953 44.953 44.559 0.394 19531
404 1 2 . 1 1 36 36 GLY H H 36 8.063 8.063 8.588 -0.525 19531
405 1 3 . 1 1 2 2 LYS N N 2 121.638 121.638 120.822 0.816 19531
406 1 3 . 1 1 2 2 LYS HA H 2 4.158 4.158 4.243 -0.085 19531
407 1 3 . 1 1 2 2 LYS C C 2 176.441 176.441 178.555 -2.114 19531
408 1 3 . 1 1 2 2 LYS CA C 2 57.601 57.601 58.189 -0.588 19531
409 1 3 . 1 1 2 2 LYS CB C 2 32.121 32.121 32.054 0.067 19531
410 1 3 . 1 1 2 2 LYS H H 2 8.417 8.417 8.211 0.206 19531
411 1 3 . 1 1 3 3 THR N N 3 114.230 114.230 115.294 -1.064 19531
412 1 3 . 1 1 3 3 THR HA H 3 4.123 4.123 4.098 0.025 19531
413 1 3 . 1 1 3 3 THR C C 3 174.346 174.346 176.178 -1.832 19531
414 1 3 . 1 1 3 3 THR CA C 3 63.394 63.394 65.759 -2.365 19531
415 1 3 . 1 1 3 3 THR CB C 3 68.478 68.478 68.312 0.166 19531
416 1 3 . 1 1 3 3 THR H H 3 7.990 7.990 8.225 -0.235 19531
417 1 3 . 1 1 4 4 ASN N N 4 120.011 120.011 118.431 1.580 19531
418 1 3 . 1 1 4 4 ASN HA H 4 4.613 4.613 4.417 0.196 19531
419 1 3 . 1 1 4 4 ASN C C 4 176.190 176.190 177.406 -1.216 19531
420 1 3 . 1 1 4 4 ASN CA C 4 54.387 54.387 56.160 -1.773 19531
421 1 3 . 1 1 4 4 ASN CB C 4 37.862 37.862 37.946 -0.084 19531
422 1 3 . 1 1 4 4 ASN H H 4 8.081 8.081 8.480 -0.399 19531
423 1 3 . 1 1 5 5 LEU N N 5 121.330 121.330 120.469 0.861 19531
424 1 3 . 1 1 5 5 LEU HA H 5 4.066 4.066 3.900 0.166 19531
425 1 3 . 1 1 5 5 LEU C C 5 177.336 177.336 179.089 -1.753 19531
426 1 3 . 1 1 5 5 LEU CA C 5 57.390 57.390 58.117 -0.727 19531
427 1 3 . 1 1 5 5 LEU CB C 5 41.266 41.266 41.687 -0.421 19531
428 1 3 . 1 1 5 5 LEU H H 5 8.267 8.267 8.126 0.141 19531
429 1 3 . 1 1 6 6 GLU N N 6 116.966 116.966 118.133 -1.167 19531
430 1 3 . 1 1 6 6 GLU HA H 6 3.745 3.745 4.106 -0.361 19531
431 1 3 . 1 1 6 6 GLU C C 6 176.943 176.943 179.060 -2.117 19531
432 1 3 . 1 1 6 6 GLU CA C 6 59.511 59.511 59.174 0.337 19531
433 1 3 . 1 1 6 6 GLU CB C 6 27.497 27.497 28.837 -1.340 19531
434 1 3 . 1 1 6 6 GLU H H 6 8.243 8.243 8.176 0.067 19531
435 1 3 . 1 1 7 7 ILE N N 7 117.410 117.410 120.015 -2.605 19531
436 1 3 . 1 1 7 7 ILE HA H 7 3.716 3.716 3.724 -0.008 19531
437 1 3 . 1 1 7 7 ILE C C 7 176.932 176.932 178.038 -1.106 19531
438 1 3 . 1 1 7 7 ILE CA C 7 64.027 64.027 64.756 -0.729 19531
439 1 3 . 1 1 7 7 ILE CB C 7 36.758 36.758 37.511 -0.753 19531
440 1 3 . 1 1 7 7 ILE H H 7 7.776 7.776 8.022 -0.246 19531
441 1 3 . 1 1 8 8 ILE N N 8 120.195 120.195 121.006 -0.811 19531
442 1 3 . 1 1 8 8 ILE HA H 8 3.873 3.873 3.724 0.149 19531
443 1 3 . 1 1 8 8 ILE C C 8 177.565 177.565 177.854 -0.289 19531
444 1 3 . 1 1 8 8 ILE CA C 8 64.395 64.395 65.987 -1.592 19531
445 1 3 . 1 1 8 8 ILE CB C 8 36.982 36.982 38.160 -1.179 19531
446 1 3 . 1 1 8 8 ILE H H 8 7.775 7.775 7.778 -0.003 19531
447 1 3 . 1 1 9 9 ILE N N 9 119.224 119.224 119.569 -0.345 19531
448 1 3 . 1 1 9 9 ILE HA H 9 3.769 3.769 3.764 0.005 19531
449 1 3 . 1 1 9 9 ILE C C 9 178.886 178.886 178.031 0.855 19531
450 1 3 . 1 1 9 9 ILE CA C 9 64.384 64.384 64.921 -0.536 19531
451 1 3 . 1 1 9 9 ILE CB C 9 36.685 36.685 37.734 -1.049 19531
452 1 3 . 1 1 9 9 ILE H H 9 8.251 8.251 7.747 0.504 19531
453 1 3 . 1 1 10 10 LEU N N 10 123.325 123.325 120.474 2.851 19531
454 1 3 . 1 1 10 10 LEU HA H 10 4.067 4.067 4.064 0.003 19531
455 1 3 . 1 1 10 10 LEU C C 10 177.675 177.675 179.055 -1.380 19531
456 1 3 . 1 1 10 10 LEU CA C 10 58.240 58.240 57.867 0.373 19531
457 1 3 . 1 1 10 10 LEU CB C 10 41.314 41.314 41.738 -0.424 19531
458 1 3 . 1 1 10 10 LEU H H 10 8.324 8.324 8.495 -0.171 19531
459 1 3 . 1 1 11 11 GLU N N 11 117.683 117.683 119.536 -1.853 19531
460 1 3 . 1 1 11 11 GLU HA H 11 3.873 3.873 3.946 -0.073 19531
461 1 3 . 1 1 11 11 GLU C C 11 177.653 177.653 179.253 -1.600 19531
462 1 3 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.812 -0.559 19531
463 1 3 . 1 1 11 11 GLU CB C 11 27.731 27.731 29.212 -1.481 19531
464 1 3 . 1 1 11 11 GLU H H 11 8.813 8.813 8.665 0.148 19531
465 1 3 . 1 1 12 12 GLY N N 12 105.086 105.086 106.872 -1.786 19531
466 1 3 . 1 1 12 12 GLY C C 12 174.335 174.335 175.997 -1.662 19531
467 1 3 . 1 1 12 12 GLY CA C 12 46.866 46.866 47.029 -0.163 19531
468 1 3 . 1 1 12 12 GLY H H 12 8.982 8.982 8.108 0.874 19531
469 1 3 . 1 1 13 13 THR N N 13 117.460 117.460 119.633 -2.173 19531
470 1 3 . 1 1 13 13 THR HA H 13 3.807 3.807 3.780 0.027 19531
471 1 3 . 1 1 13 13 THR C C 13 174.935 174.935 176.405 -1.470 19531
472 1 3 . 1 1 13 13 THR CA C 13 67.282 67.282 67.046 0.236 19531
473 1 3 . 1 1 13 13 THR CB C 13 68.420 68.420 68.688 -0.268 19531
474 1 3 . 1 1 13 13 THR H H 13 8.390 8.390 7.719 0.671 19531
475 1 3 . 1 1 14 14 ALA N N 14 123.171 123.171 124.555 -1.384 19531
476 1 3 . 1 1 14 14 ALA HA H 14 3.934 3.934 4.151 -0.217 19531
477 1 3 . 1 1 14 14 ALA C C 14 178.067 178.067 179.342 -1.275 19531
478 1 3 . 1 1 14 14 ALA CA C 14 54.902 54.902 55.340 -0.438 19531
479 1 3 . 1 1 14 14 ALA CB C 14 17.380 17.380 18.231 -0.851 19531
480 1 3 . 1 1 14 14 ALA H H 14 8.038 8.038 8.226 -0.188 19531
481 1 3 . 1 1 15 15 VAL N N 15 116.350 116.350 117.863 -1.513 19531
482 1 3 . 1 1 15 15 VAL HA H 15 3.543 3.543 3.878 -0.335 19531
483 1 3 . 1 1 15 15 VAL C C 15 176.683 176.683 178.528 -1.845 19531
484 1 3 . 1 1 15 15 VAL CA C 15 66.397 66.397 65.396 1.001 19531
485 1 3 . 1 1 15 15 VAL CB C 15 30.720 30.720 30.601 0.119 19531
486 1 3 . 1 1 15 15 VAL H H 15 7.806 7.806 7.672 0.134 19531
487 1 3 . 1 1 16 16 ILE N N 16 119.033 119.033 121.756 -2.723 19531
488 1 3 . 1 1 16 16 ILE HA H 16 3.578 3.578 3.638 -0.060 19531
489 1 3 . 1 1 16 16 ILE C C 16 176.725 176.725 177.291 -0.566 19531
490 1 3 . 1 1 16 16 ILE CA C 16 64.497 64.497 65.532 -1.035 19531
491 1 3 . 1 1 16 16 ILE CB C 16 36.631 36.631 37.437 -0.806 19531
492 1 3 . 1 1 16 16 ILE H H 16 7.888 7.888 8.373 -0.485 19531
493 1 3 . 1 1 17 17 ALA N N 17 121.070 121.070 121.692 -0.622 19531
494 1 3 . 1 1 17 17 ALA HA H 17 3.755 3.755 3.720 0.035 19531
495 1 3 . 1 1 17 17 ALA C C 17 178.412 178.412 179.830 -1.418 19531
496 1 3 . 1 1 17 17 ALA CA C 17 55.117 55.117 54.997 0.120 19531
497 1 3 . 1 1 17 17 ALA CB C 17 17.292 17.292 18.122 -0.830 19531
498 1 3 . 1 1 17 17 ALA H H 17 8.339 8.339 8.060 0.279 19531
499 1 3 . 1 1 18 18 MET N N 18 115.503 115.503 118.532 -3.029 19531
500 1 3 . 1 1 18 18 MET HA H 18 4.197 4.197 4.222 -0.025 19531
501 1 3 . 1 1 18 18 MET C C 18 177.183 177.183 178.304 -1.121 19531
502 1 3 . 1 1 18 18 MET CA C 18 58.472 58.472 59.609 -1.137 19531
503 1 3 . 1 1 18 18 MET CB C 18 32.163 32.163 32.685 -0.522 19531
504 1 3 . 1 1 18 18 MET H H 18 8.083 8.083 7.777 0.306 19531
505 1 3 . 1 1 19 19 PHE N N 19 118.667 118.667 120.191 -1.524 19531
506 1 3 . 1 1 19 19 PHE HA H 19 4.108 4.108 4.149 -0.041 19531
507 1 3 . 1 1 19 19 PHE C C 19 176.162 176.162 177.881 -1.719 19531
508 1 3 . 1 1 19 19 PHE CA C 19 60.891 60.891 62.211 -1.320 19531
509 1 3 . 1 1 19 19 PHE CB C 19 38.120 38.120 39.264 -1.144 19531
510 1 3 . 1 1 19 19 PHE H H 19 8.360 8.360 8.002 0.358 19531
511 1 3 . 1 1 20 20 PHE N N 20 118.069 118.069 118.293 -0.224 19531
512 1 3 . 1 1 20 20 PHE HA H 20 4.007 4.007 4.225 -0.218 19531
513 1 3 . 1 1 20 20 PHE CA C 20 61.188 61.188 61.012 0.176 19531
514 1 3 . 1 1 20 20 PHE CB C 20 38.062 38.062 38.182 -0.120 19531
515 1 3 . 1 1 20 20 PHE H H 20 8.405 8.405 8.503 -0.098 19531
516 1 3 . 1 1 21 21 TRP N N 21 119.005 119.005 120.375 -1.370 19531
517 1 3 . 1 1 21 21 TRP HA H 21 4.331 4.331 4.410 -0.079 19531
518 1 3 . 1 1 21 21 TRP H H 21 8.406 8.406 8.200 0.206 19531
519 1 3 . 1 1 22 22 LEU N N 22 118.489 118.489 118.637 -0.148 19531
520 1 3 . 1 1 22 22 LEU HA H 22 3.810 3.810 4.000 -0.190 19531
521 1 3 . 1 1 22 22 LEU C C 22 177.893 177.893 179.136 -1.243 19531
522 1 3 . 1 1 22 22 LEU CA C 22 57.546 57.546 57.705 -0.159 19531
523 1 3 . 1 1 22 22 LEU CB C 22 40.825 40.825 41.544 -0.719 19531
524 1 3 . 1 1 22 22 LEU H H 22 8.161 8.161 8.528 -0.367 19531
525 1 3 . 1 1 23 23 LEU N N 23 118.413 118.413 120.645 -2.232 19531
526 1 3 . 1 1 23 23 LEU HA H 23 3.799 3.799 3.887 -0.088 19531
527 1 3 . 1 1 23 23 LEU C C 23 177.849 177.849 178.889 -1.040 19531
528 1 3 . 1 1 23 23 LEU CA C 23 57.459 57.459 58.094 -0.635 19531
529 1 3 . 1 1 23 23 LEU CB C 23 40.810 40.810 41.793 -0.983 19531
530 1 3 . 1 1 23 23 LEU H H 23 8.125 8.125 8.111 0.014 19531
531 1 3 . 1 1 24 24 LEU N N 24 118.214 118.214 118.005 0.209 19531
532 1 3 . 1 1 24 24 LEU HA H 24 3.762 3.762 3.990 -0.228 19531
533 1 3 . 1 1 24 24 LEU C C 24 178.031 178.031 178.631 -0.600 19531
534 1 3 . 1 1 24 24 LEU CA C 24 57.671 57.671 58.447 -0.776 19531
535 1 3 . 1 1 24 24 LEU CB C 24 40.703 40.703 40.877 -0.174 19531
536 1 3 . 1 1 24 24 LEU H H 24 8.136 8.136 8.065 0.071 19531
537 1 3 . 1 1 25 25 VAL N N 25 118.045 118.045 119.841 -1.796 19531
538 1 3 . 1 1 25 25 VAL HA H 25 3.480 3.480 3.634 -0.154 19531
539 1 3 . 1 1 25 25 VAL C C 25 177.205 177.205 178.255 -1.050 19531
540 1 3 . 1 1 25 25 VAL CA C 25 66.663 66.663 66.692 -0.029 19531
541 1 3 . 1 1 25 25 VAL CB C 25 30.678 30.678 31.689 -1.011 19531
542 1 3 . 1 1 25 25 VAL H H 25 8.070 8.070 7.749 0.321 19531
543 1 3 . 1 1 26 26 ILE N N 26 119.465 119.465 120.090 -0.625 19531
544 1 3 . 1 1 26 26 ILE HA H 26 3.600 3.600 3.705 -0.105 19531
545 1 3 . 1 1 26 26 ILE C C 26 178.973 178.973 177.951 1.022 19531
546 1 3 . 1 1 26 26 ILE CA C 26 64.732 64.732 65.091 -0.359 19531
547 1 3 . 1 1 26 26 ILE CB C 26 36.875 36.875 37.864 -0.988 19531
548 1 3 . 1 1 26 26 ILE H H 26 8.236 8.236 7.599 0.637 19531
549 1 3 . 1 1 27 27 ILE N N 27 123.026 123.026 121.413 1.613 19531
550 1 3 . 1 1 27 27 ILE HA H 27 3.548 3.548 3.644 -0.096 19531
551 1 3 . 1 1 27 27 ILE C C 27 177.205 177.205 177.786 -0.581 19531
552 1 3 . 1 1 27 27 ILE CA C 27 65.539 65.539 65.955 -0.416 19531
553 1 3 . 1 1 27 27 ILE CB C 27 36.861 36.861 37.919 -1.058 19531
554 1 3 . 1 1 27 27 ILE H H 27 8.672 8.672 8.253 0.419 19531
555 1 3 . 1 1 28 28 LEU N N 28 120.208 120.208 119.259 0.949 19531
556 1 3 . 1 1 28 28 LEU HA H 28 3.967 3.967 3.965 0.002 19531
557 1 3 . 1 1 28 28 LEU C C 28 178.275 178.275 178.912 -0.637 19531
558 1 3 . 1 1 28 28 LEU CA C 28 57.711 57.711 58.045 -0.335 19531
559 1 3 . 1 1 28 28 LEU CB C 28 40.858 40.858 41.386 -0.528 19531
560 1 3 . 1 1 28 28 LEU H H 28 8.700 8.700 8.385 0.315 19531
561 1 3 . 1 1 29 29 ARG N N 29 117.024 117.024 119.493 -2.469 19531
562 1 3 . 1 1 29 29 ARG HA H 29 3.992 3.992 4.062 -0.070 19531
563 1 3 . 1 1 29 29 ARG C C 29 177.555 177.555 178.660 -1.105 19531
564 1 3 . 1 1 29 29 ARG CA C 29 58.169 58.169 59.682 -1.513 19531
565 1 3 . 1 1 29 29 ARG CB C 29 29.514 29.514 30.235 -0.721 19531
566 1 3 . 1 1 29 29 ARG H H 29 8.401 8.401 8.269 0.132 19531
567 1 3 . 1 1 30 30 THR N N 30 115.290 115.290 115.590 -0.300 19531
568 1 3 . 1 1 30 30 THR HA H 30 3.989 3.989 4.080 -0.091 19531
569 1 3 . 1 1 30 30 THR C C 30 175.667 175.667 176.156 -0.489 19531
570 1 3 . 1 1 30 30 THR CA C 30 65.901 65.901 66.250 -0.349 19531
571 1 3 . 1 1 30 30 THR CB C 30 68.152 68.152 68.905 -0.753 19531
572 1 3 . 1 1 30 30 THR H H 30 7.920 7.920 8.207 -0.287 19531
573 1 3 . 1 1 31 31 VAL N N 31 120.275 120.275 121.183 -0.908 19531
574 1 3 . 1 1 31 31 VAL HA H 31 3.796 3.796 3.723 0.073 19531
575 1 3 . 1 1 31 31 VAL C C 31 176.518 176.518 177.301 -0.783 19531
576 1 3 . 1 1 31 31 VAL CA C 31 64.691 64.691 66.306 -1.615 19531
577 1 3 . 1 1 31 31 VAL CB C 31 31.135 31.135 31.785 -0.650 19531
578 1 3 . 1 1 31 31 VAL H H 31 8.296 8.296 8.066 0.230 19531
579 1 3 . 1 1 32 32 LYS N N 32 120.070 120.070 119.867 0.203 19531
580 1 3 . 1 1 32 32 LYS HA H 32 4.146 4.146 3.982 0.164 19531
581 1 3 . 1 1 32 32 LYS C C 32 177.183 177.183 179.018 -1.835 19531
582 1 3 . 1 1 32 32 LYS CA C 32 57.363 57.363 59.267 -1.904 19531
583 1 3 . 1 1 32 32 LYS CB C 32 31.916 31.916 32.276 -0.360 19531
584 1 3 . 1 1 32 32 LYS H H 32 8.028 8.028 8.010 0.018 19531
585 1 3 . 1 1 33 33 ARG N N 33 119.397 119.397 116.614 2.783 19531
586 1 3 . 1 1 33 33 ARG HA H 33 4.225 4.225 4.353 -0.128 19531
587 1 3 . 1 1 33 33 ARG C C 33 176.780 176.780 175.839 0.941 19531
588 1 3 . 1 1 33 33 ARG CA C 33 56.612 56.612 55.713 0.899 19531
589 1 3 . 1 1 33 33 ARG CB C 33 29.738 29.738 28.982 0.756 19531
590 1 3 . 1 1 33 33 ARG H H 33 7.862 7.862 7.665 0.197 19531
591 1 3 . 1 1 34 34 ALA N N 34 123.007 123.007 121.062 1.945 19531
592 1 3 . 1 1 34 34 ALA HA H 34 4.277 4.277 4.508 -0.231 19531
593 1 3 . 1 1 34 34 ALA C C 34 177.085 177.085 176.565 0.520 19531
594 1 3 . 1 1 34 34 ALA CA C 34 52.589 52.589 51.702 0.887 19531
595 1 3 . 1 1 34 34 ALA CB C 34 18.354 18.354 20.841 -2.487 19531
596 1 3 . 1 1 34 34 ALA H H 34 8.083 8.083 8.014 0.069 19531
597 1 3 . 1 1 35 35 ASN N N 35 116.331 116.331 118.958 -2.627 19531
598 1 3 . 1 1 35 35 ASN HA H 35 4.735 4.735 4.721 0.014 19531
599 1 3 . 1 1 35 35 ASN C C 35 174.979 174.979 175.381 -0.402 19531
600 1 3 . 1 1 35 35 ASN CA C 35 52.886 52.886 53.465 -0.579 19531
601 1 3 . 1 1 35 35 ASN CB C 35 38.827 38.827 38.939 -0.112 19531
602 1 3 . 1 1 35 35 ASN H H 35 8.042 8.042 7.672 0.370 19531
603 1 3 . 1 1 36 36 GLY N N 36 108.491 108.491 111.165 -2.674 19531
604 1 3 . 1 1 36 36 GLY C C 36 173.211 173.211 173.903 -0.692 19531
605 1 3 . 1 1 36 36 GLY CA C 36 44.953 44.953 45.224 -0.271 19531
606 1 3 . 1 1 36 36 GLY H H 36 8.063 8.063 8.318 -0.255 19531
607 1 4 . 1 1 2 2 LYS N N 2 121.638 121.638 121.013 0.625 19531
608 1 4 . 1 1 2 2 LYS HA H 2 4.158 4.158 4.203 -0.045 19531
609 1 4 . 1 1 2 2 LYS C C 2 176.441 176.441 178.275 -1.834 19531
610 1 4 . 1 1 2 2 LYS CA C 2 57.601 57.601 58.274 -0.673 19531
611 1 4 . 1 1 2 2 LYS CB C 2 32.121 32.121 32.470 -0.349 19531
612 1 4 . 1 1 2 2 LYS H H 2 8.417 8.417 8.090 0.327 19531
613 1 4 . 1 1 3 3 THR N N 3 114.230 114.230 115.404 -1.174 19531
614 1 4 . 1 1 3 3 THR HA H 3 4.123 4.123 4.147 -0.024 19531
615 1 4 . 1 1 3 3 THR C C 3 174.346 174.346 176.212 -1.866 19531
616 1 4 . 1 1 3 3 THR CA C 3 63.394 63.394 65.354 -1.960 19531
617 1 4 . 1 1 3 3 THR CB C 3 68.478 68.478 68.288 0.190 19531
618 1 4 . 1 1 3 3 THR H H 3 7.990 7.990 8.234 -0.244 19531
619 1 4 . 1 1 4 4 ASN N N 4 120.011 120.011 118.294 1.717 19531
620 1 4 . 1 1 4 4 ASN HA H 4 4.613 4.613 4.394 0.219 19531
621 1 4 . 1 1 4 4 ASN C C 4 176.190 176.190 177.376 -1.186 19531
622 1 4 . 1 1 4 4 ASN CA C 4 54.387 54.387 56.138 -1.751 19531
623 1 4 . 1 1 4 4 ASN CB C 4 37.862 37.862 38.019 -0.157 19531
624 1 4 . 1 1 4 4 ASN H H 4 8.081 8.081 8.375 -0.294 19531
625 1 4 . 1 1 5 5 LEU N N 5 121.330 121.330 120.384 0.946 19531
626 1 4 . 1 1 5 5 LEU HA H 5 4.066 4.066 3.888 0.178 19531
627 1 4 . 1 1 5 5 LEU C C 5 177.336 177.336 179.071 -1.735 19531
628 1 4 . 1 1 5 5 LEU CA C 5 57.390 57.390 58.082 -0.692 19531
629 1 4 . 1 1 5 5 LEU CB C 5 41.266 41.266 41.647 -0.381 19531
630 1 4 . 1 1 5 5 LEU H H 5 8.267 8.267 8.321 -0.054 19531
631 1 4 . 1 1 6 6 GLU N N 6 116.966 116.966 118.063 -1.097 19531
632 1 4 . 1 1 6 6 GLU HA H 6 3.745 3.745 4.073 -0.328 19531
633 1 4 . 1 1 6 6 GLU C C 6 176.943 176.943 179.035 -2.092 19531
634 1 4 . 1 1 6 6 GLU CA C 6 59.511 59.511 59.294 0.217 19531
635 1 4 . 1 1 6 6 GLU CB C 6 27.497 27.497 28.849 -1.352 19531
636 1 4 . 1 1 6 6 GLU H H 6 8.243 8.243 8.119 0.124 19531
637 1 4 . 1 1 7 7 ILE N N 7 117.410 117.410 119.811 -2.401 19531
638 1 4 . 1 1 7 7 ILE HA H 7 3.716 3.716 3.729 -0.013 19531
639 1 4 . 1 1 7 7 ILE C C 7 176.932 176.932 178.021 -1.089 19531
640 1 4 . 1 1 7 7 ILE CA C 7 64.027 64.027 64.653 -0.626 19531
641 1 4 . 1 1 7 7 ILE CB C 7 36.758 36.758 37.468 -0.709 19531
642 1 4 . 1 1 7 7 ILE H H 7 7.776 7.776 8.009 -0.233 19531
643 1 4 . 1 1 8 8 ILE N N 8 120.195 120.195 121.077 -0.882 19531
644 1 4 . 1 1 8 8 ILE HA H 8 3.873 3.873 3.721 0.152 19531
645 1 4 . 1 1 8 8 ILE C C 8 177.565 177.565 177.961 -0.396 19531
646 1 4 . 1 1 8 8 ILE CA C 8 64.395 64.395 65.867 -1.472 19531
647 1 4 . 1 1 8 8 ILE CB C 8 36.982 36.982 38.105 -1.123 19531
648 1 4 . 1 1 8 8 ILE H H 8 7.775 7.775 7.735 0.040 19531
649 1 4 . 1 1 9 9 ILE N N 9 119.224 119.224 119.481 -0.257 19531
650 1 4 . 1 1 9 9 ILE HA H 9 3.769 3.769 3.773 -0.004 19531
651 1 4 . 1 1 9 9 ILE C C 9 178.886 178.886 177.951 0.935 19531
652 1 4 . 1 1 9 9 ILE CA C 9 64.384 64.384 64.712 -0.328 19531
653 1 4 . 1 1 9 9 ILE CB C 9 36.685 36.685 37.770 -1.085 19531
654 1 4 . 1 1 9 9 ILE H H 9 8.251 8.251 7.679 0.572 19531
655 1 4 . 1 1 10 10 LEU N N 10 123.325 123.325 120.912 2.413 19531
656 1 4 . 1 1 10 10 LEU HA H 10 4.067 4.067 4.013 0.054 19531
657 1 4 . 1 1 10 10 LEU C C 10 177.675 177.675 178.903 -1.228 19531
658 1 4 . 1 1 10 10 LEU CA C 10 58.240 58.240 57.983 0.257 19531
659 1 4 . 1 1 10 10 LEU CB C 10 41.314 41.314 41.807 -0.493 19531
660 1 4 . 1 1 10 10 LEU H H 10 8.324 8.324 8.441 -0.117 19531
661 1 4 . 1 1 11 11 GLU N N 11 117.683 117.683 118.786 -1.103 19531
662 1 4 . 1 1 11 11 GLU HA H 11 3.873 3.873 3.995 -0.122 19531
663 1 4 . 1 1 11 11 GLU C C 11 177.653 177.653 179.225 -1.572 19531
664 1 4 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.844 -0.592 19531
665 1 4 . 1 1 11 11 GLU CB C 11 27.731 27.731 29.179 -1.448 19531
666 1 4 . 1 1 11 11 GLU H H 11 8.813 8.813 8.575 0.238 19531
667 1 4 . 1 1 12 12 GLY N N 12 105.086 105.086 107.144 -2.058 19531
668 1 4 . 1 1 12 12 GLY C C 12 174.335 174.335 175.845 -1.510 19531
669 1 4 . 1 1 12 12 GLY CA C 12 46.866 46.866 46.963 -0.097 19531
670 1 4 . 1 1 12 12 GLY H H 12 8.982 8.982 8.069 0.913 19531
671 1 4 . 1 1 13 13 THR N N 13 117.460 117.460 119.290 -1.830 19531
672 1 4 . 1 1 13 13 THR HA H 13 3.807 3.807 3.726 0.081 19531
673 1 4 . 1 1 13 13 THR C C 13 174.935 174.935 176.413 -1.478 19531
674 1 4 . 1 1 13 13 THR CA C 13 67.282 67.282 66.538 0.744 19531
675 1 4 . 1 1 13 13 THR CB C 13 68.420 68.420 68.551 -0.131 19531
676 1 4 . 1 1 13 13 THR H H 13 8.390 8.390 7.560 0.830 19531
677 1 4 . 1 1 14 14 ALA N N 14 123.171 123.171 124.888 -1.717 19531
678 1 4 . 1 1 14 14 ALA HA H 14 3.934 3.934 4.051 -0.117 19531
679 1 4 . 1 1 14 14 ALA C C 14 178.067 178.067 179.395 -1.328 19531
680 1 4 . 1 1 14 14 ALA CA C 14 54.902 54.902 55.282 -0.380 19531
681 1 4 . 1 1 14 14 ALA CB C 14 17.380 17.380 18.165 -0.785 19531
682 1 4 . 1 1 14 14 ALA H H 14 8.038 8.038 8.176 -0.138 19531
683 1 4 . 1 1 15 15 VAL N N 15 116.350 116.350 117.327 -0.977 19531
684 1 4 . 1 1 15 15 VAL HA H 15 3.543 3.543 3.794 -0.251 19531
685 1 4 . 1 1 15 15 VAL C C 15 176.683 176.683 178.219 -1.536 19531
686 1 4 . 1 1 15 15 VAL CA C 15 66.397 66.397 65.852 0.545 19531
687 1 4 . 1 1 15 15 VAL CB C 15 30.720 30.720 31.056 -0.336 19531
688 1 4 . 1 1 15 15 VAL H H 15 7.806 7.806 7.558 0.248 19531
689 1 4 . 1 1 16 16 ILE N N 16 119.033 119.033 121.647 -2.614 19531
690 1 4 . 1 1 16 16 ILE HA H 16 3.578 3.578 3.480 0.098 19531
691 1 4 . 1 1 16 16 ILE C C 16 176.725 176.725 176.987 -0.262 19531
692 1 4 . 1 1 16 16 ILE CA C 16 64.497 64.497 65.073 -0.576 19531
693 1 4 . 1 1 16 16 ILE CB C 16 36.631 36.631 37.245 -0.614 19531
694 1 4 . 1 1 16 16 ILE H H 16 7.888 7.888 8.371 -0.483 19531
695 1 4 . 1 1 17 17 ALA N N 17 121.070 121.070 121.822 -0.752 19531
696 1 4 . 1 1 17 17 ALA HA H 17 3.755 3.755 3.491 0.264 19531
697 1 4 . 1 1 17 17 ALA C C 17 178.412 178.412 179.554 -1.142 19531
698 1 4 . 1 1 17 17 ALA CA C 17 55.117 55.117 54.773 0.345 19531
699 1 4 . 1 1 17 17 ALA CB C 17 17.292 17.292 17.575 -0.283 19531
700 1 4 . 1 1 17 17 ALA H H 17 8.339 8.339 7.822 0.517 19531
701 1 4 . 1 1 18 18 MET N N 18 115.503 115.503 117.905 -2.402 19531
702 1 4 . 1 1 18 18 MET HA H 18 4.197 4.197 3.997 0.200 19531
703 1 4 . 1 1 18 18 MET C C 18 177.183 177.183 178.415 -1.232 19531
704 1 4 . 1 1 18 18 MET CA C 18 58.472 58.472 59.560 -1.088 19531
705 1 4 . 1 1 18 18 MET CB C 18 32.163 32.163 32.721 -0.558 19531
706 1 4 . 1 1 18 18 MET H H 18 8.083 8.083 7.646 0.437 19531
707 1 4 . 1 1 19 19 PHE N N 19 118.667 118.667 118.922 -0.255 19531
708 1 4 . 1 1 19 19 PHE HA H 19 4.108 4.108 4.258 -0.150 19531
709 1 4 . 1 1 19 19 PHE C C 19 176.162 176.162 178.254 -2.092 19531
710 1 4 . 1 1 19 19 PHE CA C 19 60.891 60.891 61.981 -1.090 19531
711 1 4 . 1 1 19 19 PHE CB C 19 38.120 38.120 38.934 -0.814 19531
712 1 4 . 1 1 19 19 PHE H H 19 8.360 8.360 8.000 0.360 19531
713 1 4 . 1 1 20 20 PHE N N 20 118.069 118.069 119.684 -1.615 19531
714 1 4 . 1 1 20 20 PHE HA H 20 4.007 4.007 4.361 -0.354 19531
715 1 4 . 1 1 20 20 PHE CA C 20 61.188 61.188 60.695 0.493 19531
716 1 4 . 1 1 20 20 PHE CB C 20 38.062 38.062 38.314 -0.252 19531
717 1 4 . 1 1 20 20 PHE H H 20 8.405 8.405 8.814 -0.409 19531
718 1 4 . 1 1 21 21 TRP N N 21 119.005 119.005 119.794 -0.789 19531
719 1 4 . 1 1 21 21 TRP HA H 21 4.331 4.331 4.299 0.032 19531
720 1 4 . 1 1 21 21 TRP H H 21 8.406 8.406 8.607 -0.201 19531
721 1 4 . 1 1 22 22 LEU N N 22 118.489 118.489 120.791 -2.302 19531
722 1 4 . 1 1 22 22 LEU HA H 22 3.810 3.810 3.969 -0.159 19531
723 1 4 . 1 1 22 22 LEU C C 22 177.893 177.893 178.563 -0.670 19531
724 1 4 . 1 1 22 22 LEU CA C 22 57.546 57.546 58.551 -1.005 19531
725 1 4 . 1 1 22 22 LEU CB C 22 40.825 40.825 41.629 -0.804 19531
726 1 4 . 1 1 22 22 LEU H H 22 8.161 8.161 8.406 -0.245 19531
727 1 4 . 1 1 23 23 LEU N N 23 118.413 118.413 118.999 -0.586 19531
728 1 4 . 1 1 23 23 LEU HA H 23 3.799 3.799 3.904 -0.105 19531
729 1 4 . 1 1 23 23 LEU C C 23 177.849 177.849 179.251 -1.402 19531
730 1 4 . 1 1 23 23 LEU CA C 23 57.459 57.459 58.073 -0.614 19531
731 1 4 . 1 1 23 23 LEU CB C 23 40.810 40.810 41.565 -0.755 19531
732 1 4 . 1 1 23 23 LEU H H 23 8.125 8.125 7.968 0.157 19531
733 1 4 . 1 1 24 24 LEU N N 24 118.214 118.214 120.002 -1.788 19531
734 1 4 . 1 1 24 24 LEU HA H 24 3.762 3.762 4.027 -0.265 19531
735 1 4 . 1 1 24 24 LEU C C 24 178.031 178.031 178.750 -0.719 19531
736 1 4 . 1 1 24 24 LEU CA C 24 57.671 57.671 58.009 -0.338 19531
737 1 4 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.408 -0.705 19531
738 1 4 . 1 1 24 24 LEU H H 24 8.136 8.136 7.863 0.273 19531
739 1 4 . 1 1 25 25 VAL N N 25 118.045 118.045 119.860 -1.815 19531
740 1 4 . 1 1 25 25 VAL HA H 25 3.480 3.480 3.569 -0.089 19531
741 1 4 . 1 1 25 25 VAL C C 25 177.205 177.205 178.290 -1.085 19531
742 1 4 . 1 1 25 25 VAL CA C 25 66.663 66.663 67.255 -0.592 19531
743 1 4 . 1 1 25 25 VAL CB C 25 30.678 30.678 31.219 -0.541 19531
744 1 4 . 1 1 25 25 VAL H H 25 8.070 8.070 7.827 0.243 19531
745 1 4 . 1 1 26 26 ILE N N 26 119.465 119.465 120.536 -1.071 19531
746 1 4 . 1 1 26 26 ILE HA H 26 3.600 3.600 3.640 -0.040 19531
747 1 4 . 1 1 26 26 ILE C C 26 178.973 178.973 178.223 0.750 19531
748 1 4 . 1 1 26 26 ILE CA C 26 64.732 64.732 65.854 -1.122 19531
749 1 4 . 1 1 26 26 ILE CB C 26 36.875 36.875 37.829 -0.954 19531
750 1 4 . 1 1 26 26 ILE H H 26 8.236 8.236 7.696 0.540 19531
751 1 4 . 1 1 27 27 ILE N N 27 123.026 123.026 120.233 2.793 19531
752 1 4 . 1 1 27 27 ILE HA H 27 3.548 3.548 3.634 -0.086 19531
753 1 4 . 1 1 27 27 ILE C C 27 177.205 177.205 178.093 -0.888 19531
754 1 4 . 1 1 27 27 ILE CA C 27 65.539 65.539 65.537 0.002 19531
755 1 4 . 1 1 27 27 ILE CB C 27 36.861 36.861 37.675 -0.814 19531
756 1 4 . 1 1 27 27 ILE H H 27 8.672 8.672 7.903 0.769 19531
757 1 4 . 1 1 28 28 LEU N N 28 120.208 120.208 120.654 -0.446 19531
758 1 4 . 1 1 28 28 LEU HA H 28 3.967 3.967 3.854 0.113 19531
759 1 4 . 1 1 28 28 LEU C C 28 178.275 178.275 178.975 -0.700 19531
760 1 4 . 1 1 28 28 LEU CA C 28 57.711 57.711 58.453 -0.742 19531
761 1 4 . 1 1 28 28 LEU CB C 28 40.858 40.858 41.417 -0.559 19531
762 1 4 . 1 1 28 28 LEU H H 28 8.700 8.700 8.302 0.398 19531
763 1 4 . 1 1 29 29 ARG N N 29 117.024 117.024 118.832 -1.808 19531
764 1 4 . 1 1 29 29 ARG HA H 29 3.992 3.992 3.988 0.004 19531
765 1 4 . 1 1 29 29 ARG C C 29 177.555 177.555 178.976 -1.421 19531
766 1 4 . 1 1 29 29 ARG CA C 29 58.169 58.169 59.820 -1.651 19531
767 1 4 . 1 1 29 29 ARG CB C 29 29.514 29.514 30.118 -0.604 19531
768 1 4 . 1 1 29 29 ARG H H 29 8.401 8.401 8.377 0.024 19531
769 1 4 . 1 1 30 30 THR N N 30 115.290 115.290 114.882 0.408 19531
770 1 4 . 1 1 30 30 THR HA H 30 3.989 3.989 4.071 -0.082 19531
771 1 4 . 1 1 30 30 THR C C 30 175.667 175.667 176.127 -0.460 19531
772 1 4 . 1 1 30 30 THR CA C 30 65.901 65.901 65.937 -0.036 19531
773 1 4 . 1 1 30 30 THR CB C 30 68.152 68.152 68.708 -0.556 19531
774 1 4 . 1 1 30 30 THR H H 30 7.920 7.920 8.214 -0.294 19531
775 1 4 . 1 1 31 31 VAL N N 31 120.275 120.275 121.034 -0.759 19531
776 1 4 . 1 1 31 31 VAL HA H 31 3.796 3.796 3.796 -0.000 19531
777 1 4 . 1 1 31 31 VAL C C 31 176.518 176.518 177.366 -0.848 19531
778 1 4 . 1 1 31 31 VAL CA C 31 64.691 64.691 65.703 -1.012 19531
779 1 4 . 1 1 31 31 VAL CB C 31 31.135 31.135 31.724 -0.590 19531
780 1 4 . 1 1 31 31 VAL H H 31 8.296 8.296 7.972 0.324 19531
781 1 4 . 1 1 32 32 LYS N N 32 120.070 120.070 119.861 0.209 19531
782 1 4 . 1 1 32 32 LYS HA H 32 4.146 4.146 3.962 0.184 19531
783 1 4 . 1 1 32 32 LYS C C 32 177.183 177.183 178.961 -1.778 19531
784 1 4 . 1 1 32 32 LYS CA C 32 57.363 57.363 59.367 -2.004 19531
785 1 4 . 1 1 32 32 LYS CB C 32 31.916 31.916 32.271 -0.355 19531
786 1 4 . 1 1 32 32 LYS H H 32 8.028 8.028 8.216 -0.188 19531
787 1 4 . 1 1 33 33 ARG N N 33 119.397 119.397 116.232 3.165 19531
788 1 4 . 1 1 33 33 ARG HA H 33 4.225 4.225 4.373 -0.148 19531
789 1 4 . 1 1 33 33 ARG C C 33 176.780 176.780 175.723 1.057 19531
790 1 4 . 1 1 33 33 ARG CA C 33 56.612 56.612 55.499 1.113 19531
791 1 4 . 1 1 33 33 ARG CB C 33 29.738 29.738 28.753 0.985 19531
792 1 4 . 1 1 33 33 ARG H H 33 7.862 7.862 7.713 0.149 19531
793 1 4 . 1 1 34 34 ALA N N 34 123.007 123.007 121.648 1.359 19531
794 1 4 . 1 1 34 34 ALA HA H 34 4.277 4.277 4.480 -0.203 19531
795 1 4 . 1 1 34 34 ALA C C 34 177.085 177.085 176.695 0.390 19531
796 1 4 . 1 1 34 34 ALA CA C 34 52.589 52.589 52.040 0.549 19531
797 1 4 . 1 1 34 34 ALA CB C 34 18.354 18.354 21.189 -2.835 19531
798 1 4 . 1 1 34 34 ALA H H 34 8.083 8.083 8.164 -0.081 19531
799 1 4 . 1 1 35 35 ASN N N 35 116.331 116.331 117.654 -1.323 19531
800 1 4 . 1 1 35 35 ASN HA H 35 4.735 4.735 4.887 -0.152 19531
801 1 4 . 1 1 35 35 ASN C C 35 174.979 174.979 175.632 -0.653 19531
802 1 4 . 1 1 35 35 ASN CA C 35 52.886 52.886 53.334 -0.448 19531
803 1 4 . 1 1 35 35 ASN CB C 35 38.827 38.827 39.889 -1.062 19531
804 1 4 . 1 1 35 35 ASN H H 35 8.042 8.042 7.799 0.243 19531
805 1 4 . 1 1 36 36 GLY N N 36 108.491 108.491 111.237 -2.746 19531
806 1 4 . 1 1 36 36 GLY C C 36 173.211 173.211 173.844 -0.633 19531
807 1 4 . 1 1 36 36 GLY CA C 36 44.953 44.953 45.156 -0.203 19531
808 1 4 . 1 1 36 36 GLY H H 36 8.063 8.063 8.696 -0.633 19531
809 1 5 . 1 1 2 2 LYS N N 2 121.638 121.638 120.520 1.118 19531
810 1 5 . 1 1 2 2 LYS HA H 2 4.158 4.158 4.299 -0.141 19531
811 1 5 . 1 1 2 2 LYS C C 2 176.441 176.441 178.391 -1.950 19531
812 1 5 . 1 1 2 2 LYS CA C 2 57.601 57.601 57.912 -0.311 19531
813 1 5 . 1 1 2 2 LYS CB C 2 32.121 32.121 32.609 -0.488 19531
814 1 5 . 1 1 2 2 LYS H H 2 8.417 8.417 8.264 0.153 19531
815 1 5 . 1 1 3 3 THR N N 3 114.230 114.230 115.585 -1.355 19531
816 1 5 . 1 1 3 3 THR HA H 3 4.123 4.123 4.053 0.070 19531
817 1 5 . 1 1 3 3 THR C C 3 174.346 174.346 176.081 -1.735 19531
818 1 5 . 1 1 3 3 THR CA C 3 63.394 63.394 66.359 -2.965 19531
819 1 5 . 1 1 3 3 THR CB C 3 68.478 68.478 68.435 0.043 19531
820 1 5 . 1 1 3 3 THR H H 3 7.990 7.990 8.393 -0.403 19531
821 1 5 . 1 1 4 4 ASN N N 4 120.011 120.011 120.032 -0.021 19531
822 1 5 . 1 1 4 4 ASN HA H 4 4.613 4.613 4.388 0.225 19531
823 1 5 . 1 1 4 4 ASN C C 4 176.190 176.190 177.279 -1.089 19531
824 1 5 . 1 1 4 4 ASN CA C 4 54.387 54.387 55.849 -1.462 19531
825 1 5 . 1 1 4 4 ASN CB C 4 37.862 37.862 37.420 0.442 19531
826 1 5 . 1 1 4 4 ASN H H 4 8.081 8.081 8.376 -0.295 19531
827 1 5 . 1 1 5 5 LEU N N 5 121.330 121.330 120.471 0.859 19531
828 1 5 . 1 1 5 5 LEU HA H 5 4.066 4.066 3.856 0.210 19531
829 1 5 . 1 1 5 5 LEU C C 5 177.336 177.336 179.267 -1.931 19531
830 1 5 . 1 1 5 5 LEU CA C 5 57.390 57.390 58.088 -0.698 19531
831 1 5 . 1 1 5 5 LEU CB C 5 41.266 41.266 41.602 -0.336 19531
832 1 5 . 1 1 5 5 LEU H H 5 8.267 8.267 8.377 -0.110 19531
833 1 5 . 1 1 6 6 GLU N N 6 116.966 116.966 118.111 -1.145 19531
834 1 5 . 1 1 6 6 GLU HA H 6 3.745 3.745 4.086 -0.341 19531
835 1 5 . 1 1 6 6 GLU C C 6 176.943 176.943 179.058 -2.115 19531
836 1 5 . 1 1 6 6 GLU CA C 6 59.511 59.511 59.233 0.278 19531
837 1 5 . 1 1 6 6 GLU CB C 6 27.497 27.497 28.823 -1.326 19531
838 1 5 . 1 1 6 6 GLU H H 6 8.243 8.243 8.150 0.093 19531
839 1 5 . 1 1 7 7 ILE N N 7 117.410 117.410 119.882 -2.472 19531
840 1 5 . 1 1 7 7 ILE HA H 7 3.716 3.716 3.731 -0.015 19531
841 1 5 . 1 1 7 7 ILE C C 7 176.932 176.932 178.019 -1.087 19531
842 1 5 . 1 1 7 7 ILE CA C 7 64.027 64.027 64.688 -0.660 19531
843 1 5 . 1 1 7 7 ILE CB C 7 36.758 36.758 37.490 -0.732 19531
844 1 5 . 1 1 7 7 ILE H H 7 7.776 7.776 7.999 -0.223 19531
845 1 5 . 1 1 8 8 ILE N N 8 120.195 120.195 121.085 -0.890 19531
846 1 5 . 1 1 8 8 ILE HA H 8 3.873 3.873 3.733 0.140 19531
847 1 5 . 1 1 8 8 ILE C C 8 177.565 177.565 177.927 -0.362 19531
848 1 5 . 1 1 8 8 ILE CA C 8 64.395 64.395 65.864 -1.469 19531
849 1 5 . 1 1 8 8 ILE CB C 8 36.982 36.982 38.096 -1.114 19531
850 1 5 . 1 1 8 8 ILE H H 8 7.775 7.775 7.751 0.024 19531
851 1 5 . 1 1 9 9 ILE N N 9 119.224 119.224 119.572 -0.348 19531
852 1 5 . 1 1 9 9 ILE HA H 9 3.769 3.769 3.786 -0.017 19531
853 1 5 . 1 1 9 9 ILE C C 9 178.886 178.886 177.973 0.913 19531
854 1 5 . 1 1 9 9 ILE CA C 9 64.384 64.384 64.917 -0.533 19531
855 1 5 . 1 1 9 9 ILE CB C 9 36.685 36.685 37.802 -1.117 19531
856 1 5 . 1 1 9 9 ILE H H 9 8.251 8.251 7.692 0.559 19531
857 1 5 . 1 1 10 10 LEU N N 10 123.325 123.325 120.711 2.614 19531
858 1 5 . 1 1 10 10 LEU HA H 10 4.067 4.067 4.031 0.036 19531
859 1 5 . 1 1 10 10 LEU C C 10 177.675 177.675 179.001 -1.326 19531
860 1 5 . 1 1 10 10 LEU CA C 10 58.240 58.240 57.953 0.287 19531
861 1 5 . 1 1 10 10 LEU CB C 10 41.314 41.314 41.752 -0.438 19531
862 1 5 . 1 1 10 10 LEU H H 10 8.324 8.324 8.479 -0.155 19531
863 1 5 . 1 1 11 11 GLU N N 11 117.683 117.683 119.058 -1.375 19531
864 1 5 . 1 1 11 11 GLU HA H 11 3.873 3.873 4.016 -0.143 19531
865 1 5 . 1 1 11 11 GLU C C 11 177.653 177.653 179.208 -1.555 19531
866 1 5 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.941 -0.688 19531
867 1 5 . 1 1 11 11 GLU CB C 11 27.731 27.731 29.235 -1.504 19531
868 1 5 . 1 1 11 11 GLU H H 11 8.813 8.813 8.589 0.224 19531
869 1 5 . 1 1 12 12 GLY N N 12 105.086 105.086 107.081 -1.995 19531
870 1 5 . 1 1 12 12 GLY C C 12 174.335 174.335 176.115 -1.780 19531
871 1 5 . 1 1 12 12 GLY CA C 12 46.866 46.866 47.149 -0.283 19531
872 1 5 . 1 1 12 12 GLY H H 12 8.982 8.982 8.111 0.871 19531
873 1 5 . 1 1 13 13 THR N N 13 117.460 117.460 119.206 -1.746 19531
874 1 5 . 1 1 13 13 THR HA H 13 3.807 3.807 3.830 -0.023 19531
875 1 5 . 1 1 13 13 THR C C 13 174.935 174.935 176.521 -1.586 19531
876 1 5 . 1 1 13 13 THR CA C 13 67.282 67.282 66.337 0.945 19531
877 1 5 . 1 1 13 13 THR CB C 13 68.420 68.420 68.347 0.073 19531
878 1 5 . 1 1 13 13 THR H H 13 8.390 8.390 7.602 0.788 19531
879 1 5 . 1 1 14 14 ALA N N 14 123.171 123.171 124.683 -1.512 19531
880 1 5 . 1 1 14 14 ALA HA H 14 3.934 3.934 4.110 -0.176 19531
881 1 5 . 1 1 14 14 ALA C C 14 178.067 178.067 179.507 -1.440 19531
882 1 5 . 1 1 14 14 ALA CA C 14 54.902 54.902 55.299 -0.397 19531
883 1 5 . 1 1 14 14 ALA CB C 14 17.380 17.380 18.151 -0.771 19531
884 1 5 . 1 1 14 14 ALA H H 14 8.038 8.038 8.203 -0.165 19531
885 1 5 . 1 1 15 15 VAL N N 15 116.350 116.350 117.530 -1.180 19531
886 1 5 . 1 1 15 15 VAL HA H 15 3.543 3.543 3.810 -0.267 19531
887 1 5 . 1 1 15 15 VAL C C 15 176.683 176.683 178.285 -1.602 19531
888 1 5 . 1 1 15 15 VAL CA C 15 66.397 66.397 65.951 0.446 19531
889 1 5 . 1 1 15 15 VAL CB C 15 30.720 30.720 31.087 -0.367 19531
890 1 5 . 1 1 15 15 VAL H H 15 7.806 7.806 7.621 0.185 19531
891 1 5 . 1 1 16 16 ILE N N 16 119.033 119.033 121.662 -2.629 19531
892 1 5 . 1 1 16 16 ILE HA H 16 3.578 3.578 3.639 -0.061 19531
893 1 5 . 1 1 16 16 ILE C C 16 176.725 176.725 177.229 -0.504 19531
894 1 5 . 1 1 16 16 ILE CA C 16 64.497 64.497 65.424 -0.927 19531
895 1 5 . 1 1 16 16 ILE CB C 16 36.631 36.631 37.362 -0.731 19531
896 1 5 . 1 1 16 16 ILE H H 16 7.888 7.888 8.425 -0.537 19531
897 1 5 . 1 1 17 17 ALA N N 17 121.070 121.070 121.973 -0.903 19531
898 1 5 . 1 1 17 17 ALA HA H 17 3.755 3.755 3.661 0.094 19531
899 1 5 . 1 1 17 17 ALA C C 17 178.412 178.412 179.822 -1.410 19531
900 1 5 . 1 1 17 17 ALA CA C 17 55.117 55.117 55.078 0.039 19531
901 1 5 . 1 1 17 17 ALA CB C 17 17.292 17.292 18.007 -0.715 19531
902 1 5 . 1 1 17 17 ALA H H 17 8.339 8.339 8.026 0.313 19531
903 1 5 . 1 1 18 18 MET N N 18 115.503 115.503 118.193 -2.690 19531
904 1 5 . 1 1 18 18 MET HA H 18 4.197 4.197 4.103 0.094 19531
905 1 5 . 1 1 18 18 MET C C 18 177.183 177.183 178.478 -1.295 19531
906 1 5 . 1 1 18 18 MET CA C 18 58.472 58.472 59.588 -1.116 19531
907 1 5 . 1 1 18 18 MET CB C 18 32.163 32.163 32.664 -0.501 19531
908 1 5 . 1 1 18 18 MET H H 18 8.083 8.083 7.795 0.288 19531
909 1 5 . 1 1 19 19 PHE N N 19 118.667 118.667 119.712 -1.045 19531
910 1 5 . 1 1 19 19 PHE HA H 19 4.108 4.108 4.175 -0.067 19531
911 1 5 . 1 1 19 19 PHE C C 19 176.162 176.162 177.896 -1.734 19531
912 1 5 . 1 1 19 19 PHE CA C 19 60.891 60.891 62.421 -1.530 19531
913 1 5 . 1 1 19 19 PHE CB C 19 38.120 38.120 39.162 -1.042 19531
914 1 5 . 1 1 19 19 PHE H H 19 8.360 8.360 8.022 0.338 19531
915 1 5 . 1 1 20 20 PHE N N 20 118.069 118.069 118.570 -0.501 19531
916 1 5 . 1 1 20 20 PHE HA H 20 4.007 4.007 4.249 -0.242 19531
917 1 5 . 1 1 20 20 PHE CA C 20 61.188 61.188 60.648 0.540 19531
918 1 5 . 1 1 20 20 PHE CB C 20 38.062 38.062 38.421 -0.359 19531
919 1 5 . 1 1 20 20 PHE H H 20 8.405 8.405 8.769 -0.364 19531
920 1 5 . 1 1 21 21 TRP N N 21 119.005 119.005 120.471 -1.466 19531
921 1 5 . 1 1 21 21 TRP HA H 21 4.331 4.331 4.468 -0.137 19531
922 1 5 . 1 1 21 21 TRP H H 21 8.406 8.406 8.871 -0.465 19531
923 1 5 . 1 1 22 22 LEU N N 22 118.489 118.489 122.571 -4.082 19531
924 1 5 . 1 1 22 22 LEU HA H 22 3.810 3.810 4.090 -0.280 19531
925 1 5 . 1 1 22 22 LEU C C 22 177.893 177.893 178.974 -1.081 19531
926 1 5 . 1 1 22 22 LEU CA C 22 57.546 57.546 57.745 -0.199 19531
927 1 5 . 1 1 22 22 LEU CB C 22 40.825 40.825 40.979 -0.154 19531
928 1 5 . 1 1 22 22 LEU H H 22 8.161 8.161 8.379 -0.218 19531
929 1 5 . 1 1 23 23 LEU N N 23 118.413 118.413 118.913 -0.500 19531
930 1 5 . 1 1 23 23 LEU HA H 23 3.799 3.799 3.944 -0.145 19531
931 1 5 . 1 1 23 23 LEU C C 23 177.849 177.849 178.567 -0.718 19531
932 1 5 . 1 1 23 23 LEU CA C 23 57.459 57.459 58.206 -0.747 19531
933 1 5 . 1 1 23 23 LEU CB C 23 40.810 40.810 40.960 -0.150 19531
934 1 5 . 1 1 23 23 LEU H H 23 8.125 8.125 8.253 -0.128 19531
935 1 5 . 1 1 24 24 LEU N N 24 118.214 118.214 120.178 -1.964 19531
936 1 5 . 1 1 24 24 LEU HA H 24 3.762 3.762 3.779 -0.017 19531
937 1 5 . 1 1 24 24 LEU C C 24 178.031 178.031 179.007 -0.976 19531
938 1 5 . 1 1 24 24 LEU CA C 24 57.671 57.671 58.146 -0.475 19531
939 1 5 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.492 -0.789 19531
940 1 5 . 1 1 24 24 LEU H H 24 8.136 8.136 7.683 0.453 19531
941 1 5 . 1 1 25 25 VAL N N 25 118.045 118.045 118.308 -0.263 19531
942 1 5 . 1 1 25 25 VAL HA H 25 3.480 3.480 3.438 0.042 19531
943 1 5 . 1 1 25 25 VAL C C 25 177.205 177.205 177.953 -0.748 19531
944 1 5 . 1 1 25 25 VAL CA C 25 66.663 66.663 66.343 0.321 19531
945 1 5 . 1 1 25 25 VAL CB C 25 30.678 30.678 31.471 -0.793 19531
946 1 5 . 1 1 25 25 VAL H H 25 8.070 8.070 7.417 0.653 19531
947 1 5 . 1 1 26 26 ILE N N 26 119.465 119.465 121.165 -1.700 19531
948 1 5 . 1 1 26 26 ILE HA H 26 3.600 3.600 3.606 -0.006 19531
949 1 5 . 1 1 26 26 ILE C C 26 178.973 178.973 177.867 1.106 19531
950 1 5 . 1 1 26 26 ILE CA C 26 64.732 64.732 65.766 -1.034 19531
951 1 5 . 1 1 26 26 ILE CB C 26 36.875 36.875 37.952 -1.077 19531
952 1 5 . 1 1 26 26 ILE H H 26 8.236 8.236 7.544 0.692 19531
953 1 5 . 1 1 27 27 ILE N N 27 123.026 123.026 120.141 2.885 19531
954 1 5 . 1 1 27 27 ILE HA H 27 3.548 3.548 3.608 -0.060 19531
955 1 5 . 1 1 27 27 ILE C C 27 177.205 177.205 178.103 -0.898 19531
956 1 5 . 1 1 27 27 ILE CA C 27 65.539 65.539 65.557 -0.018 19531
957 1 5 . 1 1 27 27 ILE CB C 27 36.861 36.861 37.712 -0.851 19531
958 1 5 . 1 1 27 27 ILE H H 27 8.672 8.672 8.217 0.455 19531
959 1 5 . 1 1 28 28 LEU N N 28 120.208 120.208 120.308 -0.100 19531
960 1 5 . 1 1 28 28 LEU HA H 28 3.967 3.967 3.847 0.120 19531
961 1 5 . 1 1 28 28 LEU C C 28 178.275 178.275 178.966 -0.691 19531
962 1 5 . 1 1 28 28 LEU CA C 28 57.711 57.711 58.317 -0.606 19531
963 1 5 . 1 1 28 28 LEU CB C 28 40.858 40.858 41.322 -0.464 19531
964 1 5 . 1 1 28 28 LEU H H 28 8.700 8.700 8.125 0.575 19531
965 1 5 . 1 1 29 29 ARG N N 29 117.024 117.024 119.036 -2.012 19531
966 1 5 . 1 1 29 29 ARG HA H 29 3.992 3.992 3.969 0.023 19531
967 1 5 . 1 1 29 29 ARG C C 29 177.555 177.555 178.837 -1.282 19531
968 1 5 . 1 1 29 29 ARG CA C 29 58.169 58.169 59.894 -1.725 19531
969 1 5 . 1 1 29 29 ARG CB C 29 29.514 29.514 30.084 -0.570 19531
970 1 5 . 1 1 29 29 ARG H H 29 8.401 8.401 8.311 0.090 19531
971 1 5 . 1 1 30 30 THR N N 30 115.290 115.290 114.827 0.463 19531
972 1 5 . 1 1 30 30 THR HA H 30 3.989 3.989 4.059 -0.070 19531
973 1 5 . 1 1 30 30 THR C C 30 175.667 175.667 176.350 -0.683 19531
974 1 5 . 1 1 30 30 THR CA C 30 65.901 65.901 66.172 -0.271 19531
975 1 5 . 1 1 30 30 THR CB C 30 68.152 68.152 68.547 -0.395 19531
976 1 5 . 1 1 30 30 THR H H 30 7.920 7.920 8.122 -0.202 19531
977 1 5 . 1 1 31 31 VAL N N 31 120.275 120.275 119.791 0.484 19531
978 1 5 . 1 1 31 31 VAL HA H 31 3.796 3.796 3.696 0.100 19531
979 1 5 . 1 1 31 31 VAL C C 31 176.518 176.518 177.152 -0.634 19531
980 1 5 . 1 1 31 31 VAL CA C 31 64.691 64.691 65.718 -1.027 19531
981 1 5 . 1 1 31 31 VAL CB C 31 31.135 31.135 31.847 -0.712 19531
982 1 5 . 1 1 31 31 VAL H H 31 8.296 8.296 7.714 0.582 19531
983 1 5 . 1 1 32 32 LYS N N 32 120.070 120.070 120.330 -0.260 19531
984 1 5 . 1 1 32 32 LYS HA H 32 4.146 4.146 3.963 0.183 19531
985 1 5 . 1 1 32 32 LYS C C 32 177.183 177.183 178.849 -1.666 19531
986 1 5 . 1 1 32 32 LYS CA C 32 57.363 57.363 59.254 -1.891 19531
987 1 5 . 1 1 32 32 LYS CB C 32 31.916 31.916 32.311 -0.395 19531
988 1 5 . 1 1 32 32 LYS H H 32 8.028 8.028 8.042 -0.014 19531
989 1 5 . 1 1 33 33 ARG N N 33 119.397 119.397 116.754 2.643 19531
990 1 5 . 1 1 33 33 ARG HA H 33 4.225 4.225 4.335 -0.110 19531
991 1 5 . 1 1 33 33 ARG C C 33 176.780 176.780 175.718 1.062 19531
992 1 5 . 1 1 33 33 ARG CA C 33 56.612 56.612 56.210 0.402 19531
993 1 5 . 1 1 33 33 ARG CB C 33 29.738 29.738 29.723 0.015 19531
994 1 5 . 1 1 33 33 ARG H H 33 7.862 7.862 7.604 0.258 19531
995 1 5 . 1 1 34 34 ALA N N 34 123.007 123.007 120.180 2.827 19531
996 1 5 . 1 1 34 34 ALA HA H 34 4.277 4.277 4.567 -0.290 19531
997 1 5 . 1 1 34 34 ALA C C 34 177.085 177.085 176.815 0.270 19531
998 1 5 . 1 1 34 34 ALA CA C 34 52.589 52.589 52.047 0.542 19531
999 1 5 . 1 1 34 34 ALA CB C 34 18.354 18.354 20.290 -1.936 19531
1000 1 5 . 1 1 34 34 ALA H H 34 8.083 8.083 8.153 -0.070 19531
1001 1 5 . 1 1 35 35 ASN N N 35 116.331 116.331 117.930 -1.599 19531
1002 1 5 . 1 1 35 35 ASN HA H 35 4.735 4.735 4.997 -0.262 19531
1003 1 5 . 1 1 35 35 ASN C C 35 174.979 174.979 174.818 0.161 19531
1004 1 5 . 1 1 35 35 ASN CA C 35 52.886 52.886 52.578 0.308 19531
1005 1 5 . 1 1 35 35 ASN CB C 35 38.827 38.827 40.960 -2.133 19531
1006 1 5 . 1 1 35 35 ASN H H 35 8.042 8.042 7.804 0.238 19531
1007 1 5 . 1 1 36 36 GLY N N 36 108.491 108.491 107.118 1.373 19531
1008 1 5 . 1 1 36 36 GLY C C 36 173.211 173.211 173.722 -0.511 19531
1009 1 5 . 1 1 36 36 GLY CA C 36 44.953 44.953 44.768 0.185 19531
1010 1 5 . 1 1 36 36 GLY H H 36 8.063 8.063 8.254 -0.191 19531
1011 1 6 . 1 1 2 2 LYS N N 2 121.638 121.638 120.248 1.390 19531
1012 1 6 . 1 1 2 2 LYS HA H 2 4.158 4.158 4.307 -0.149 19531
1013 1 6 . 1 1 2 2 LYS C C 2 176.441 176.441 178.329 -1.888 19531
1014 1 6 . 1 1 2 2 LYS CA C 2 57.601 57.601 57.590 0.011 19531
1015 1 6 . 1 1 2 2 LYS CB C 2 32.121 32.121 32.288 -0.167 19531
1016 1 6 . 1 1 2 2 LYS H H 2 8.417 8.417 8.311 0.106 19531
1017 1 6 . 1 1 3 3 THR N N 3 114.230 114.230 115.434 -1.204 19531
1018 1 6 . 1 1 3 3 THR HA H 3 4.123 4.123 4.077 0.046 19531
1019 1 6 . 1 1 3 3 THR C C 3 174.346 174.346 176.203 -1.857 19531
1020 1 6 . 1 1 3 3 THR CA C 3 63.394 63.394 65.663 -2.269 19531
1021 1 6 . 1 1 3 3 THR CB C 3 68.478 68.478 68.769 -0.291 19531
1022 1 6 . 1 1 3 3 THR H H 3 7.990 7.990 8.164 -0.174 19531
1023 1 6 . 1 1 4 4 ASN N N 4 120.011 120.011 119.171 0.840 19531
1024 1 6 . 1 1 4 4 ASN HA H 4 4.613 4.613 4.425 0.188 19531
1025 1 6 . 1 1 4 4 ASN C C 4 176.190 176.190 177.254 -1.064 19531
1026 1 6 . 1 1 4 4 ASN CA C 4 54.387 54.387 56.050 -1.663 19531
1027 1 6 . 1 1 4 4 ASN CB C 4 37.862 37.862 37.842 0.020 19531
1028 1 6 . 1 1 4 4 ASN H H 4 8.081 8.081 8.456 -0.375 19531
1029 1 6 . 1 1 5 5 LEU N N 5 121.330 121.330 120.049 1.281 19531
1030 1 6 . 1 1 5 5 LEU HA H 5 4.066 4.066 3.864 0.202 19531
1031 1 6 . 1 1 5 5 LEU C C 5 177.336 177.336 179.051 -1.715 19531
1032 1 6 . 1 1 5 5 LEU CA C 5 57.390 57.390 58.075 -0.685 19531
1033 1 6 . 1 1 5 5 LEU CB C 5 41.266 41.266 41.605 -0.339 19531
1034 1 6 . 1 1 5 5 LEU H H 5 8.267 8.267 8.059 0.208 19531
1035 1 6 . 1 1 6 6 GLU N N 6 116.966 116.966 118.098 -1.132 19531
1036 1 6 . 1 1 6 6 GLU HA H 6 3.745 3.745 4.097 -0.352 19531
1037 1 6 . 1 1 6 6 GLU C C 6 176.943 176.943 179.057 -2.114 19531
1038 1 6 . 1 1 6 6 GLU CA C 6 59.511 59.511 59.303 0.208 19531
1039 1 6 . 1 1 6 6 GLU CB C 6 27.497 27.497 28.869 -1.372 19531
1040 1 6 . 1 1 6 6 GLU H H 6 8.243 8.243 8.132 0.111 19531
1041 1 6 . 1 1 7 7 ILE N N 7 117.410 117.410 119.862 -2.452 19531
1042 1 6 . 1 1 7 7 ILE HA H 7 3.716 3.716 3.743 -0.027 19531
1043 1 6 . 1 1 7 7 ILE C C 7 176.932 176.932 178.014 -1.082 19531
1044 1 6 . 1 1 7 7 ILE CA C 7 64.027 64.027 64.683 -0.656 19531
1045 1 6 . 1 1 7 7 ILE CB C 7 36.758 36.758 37.483 -0.725 19531
1046 1 6 . 1 1 7 7 ILE H H 7 7.776 7.776 8.030 -0.254 19531
1047 1 6 . 1 1 8 8 ILE N N 8 120.195 120.195 120.700 -0.505 19531
1048 1 6 . 1 1 8 8 ILE HA H 8 3.873 3.873 3.712 0.161 19531
1049 1 6 . 1 1 8 8 ILE C C 8 177.565 177.565 178.046 -0.481 19531
1050 1 6 . 1 1 8 8 ILE CA C 8 64.395 64.395 65.463 -1.068 19531
1051 1 6 . 1 1 8 8 ILE CB C 8 36.982 36.982 37.962 -0.981 19531
1052 1 6 . 1 1 8 8 ILE H H 8 7.775 7.775 7.807 -0.032 19531
1053 1 6 . 1 1 9 9 ILE N N 9 119.224 119.224 119.552 -0.328 19531
1054 1 6 . 1 1 9 9 ILE HA H 9 3.769 3.769 3.822 -0.053 19531
1055 1 6 . 1 1 9 9 ILE C C 9 178.886 178.886 178.046 0.840 19531
1056 1 6 . 1 1 9 9 ILE CA C 9 64.384 64.384 64.769 -0.385 19531
1057 1 6 . 1 1 9 9 ILE CB C 9 36.685 36.685 37.804 -1.119 19531
1058 1 6 . 1 1 9 9 ILE H H 9 8.251 8.251 7.710 0.541 19531
1059 1 6 . 1 1 10 10 LEU N N 10 123.325 123.325 120.865 2.460 19531
1060 1 6 . 1 1 10 10 LEU HA H 10 4.067 4.067 4.072 -0.005 19531
1061 1 6 . 1 1 10 10 LEU C C 10 177.675 177.675 178.975 -1.300 19531
1062 1 6 . 1 1 10 10 LEU CA C 10 58.240 58.240 57.996 0.244 19531
1063 1 6 . 1 1 10 10 LEU CB C 10 41.314 41.314 41.839 -0.525 19531
1064 1 6 . 1 1 10 10 LEU H H 10 8.324 8.324 8.483 -0.159 19531
1065 1 6 . 1 1 11 11 GLU N N 11 117.683 117.683 118.986 -1.303 19531
1066 1 6 . 1 1 11 11 GLU HA H 11 3.873 3.873 4.038 -0.165 19531
1067 1 6 . 1 1 11 11 GLU C C 11 177.653 177.653 179.265 -1.612 19531
1068 1 6 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.947 -0.694 19531
1069 1 6 . 1 1 11 11 GLU CB C 11 27.731 27.731 29.244 -1.513 19531
1070 1 6 . 1 1 11 11 GLU H H 11 8.813 8.813 8.617 0.196 19531
1071 1 6 . 1 1 12 12 GLY N N 12 105.086 105.086 107.069 -1.983 19531
1072 1 6 . 1 1 12 12 GLY C C 12 174.335 174.335 176.112 -1.777 19531
1073 1 6 . 1 1 12 12 GLY CA C 12 46.866 46.866 47.144 -0.278 19531
1074 1 6 . 1 1 12 12 GLY H H 12 8.982 8.982 8.129 0.854 19531
1075 1 6 . 1 1 13 13 THR N N 13 117.460 117.460 119.489 -2.029 19531
1076 1 6 . 1 1 13 13 THR HA H 13 3.807 3.807 3.994 -0.186 19531
1077 1 6 . 1 1 13 13 THR C C 13 174.935 174.935 176.632 -1.697 19531
1078 1 6 . 1 1 13 13 THR CA C 13 67.282 67.282 67.003 0.279 19531
1079 1 6 . 1 1 13 13 THR CB C 13 68.420 68.420 68.584 -0.164 19531
1080 1 6 . 1 1 13 13 THR H H 13 8.390 8.390 7.656 0.734 19531
1081 1 6 . 1 1 14 14 ALA N N 14 123.171 123.171 124.608 -1.437 19531
1082 1 6 . 1 1 14 14 ALA HA H 14 3.934 3.934 4.210 -0.276 19531
1083 1 6 . 1 1 14 14 ALA C C 14 178.067 178.067 179.304 -1.237 19531
1084 1 6 . 1 1 14 14 ALA CA C 14 54.902 54.902 55.245 -0.343 19531
1085 1 6 . 1 1 14 14 ALA CB C 14 17.380 17.380 18.207 -0.827 19531
1086 1 6 . 1 1 14 14 ALA H H 14 8.038 8.038 8.226 -0.188 19531
1087 1 6 . 1 1 15 15 VAL N N 15 116.350 116.350 117.452 -1.102 19531
1088 1 6 . 1 1 15 15 VAL HA H 15 3.543 3.543 3.816 -0.273 19531
1089 1 6 . 1 1 15 15 VAL C C 15 176.683 176.683 178.286 -1.603 19531
1090 1 6 . 1 1 15 15 VAL CA C 15 66.397 66.397 66.006 0.391 19531
1091 1 6 . 1 1 15 15 VAL CB C 15 30.720 30.720 31.127 -0.407 19531
1092 1 6 . 1 1 15 15 VAL H H 15 7.806 7.806 7.646 0.160 19531
1093 1 6 . 1 1 16 16 ILE N N 16 119.033 119.033 121.706 -2.673 19531
1094 1 6 . 1 1 16 16 ILE HA H 16 3.578 3.578 3.560 0.018 19531
1095 1 6 . 1 1 16 16 ILE C C 16 176.725 176.725 177.395 -0.670 19531
1096 1 6 . 1 1 16 16 ILE CA C 16 64.497 64.497 65.289 -0.792 19531
1097 1 6 . 1 1 16 16 ILE CB C 16 36.631 36.631 37.634 -1.003 19531
1098 1 6 . 1 1 16 16 ILE H H 16 7.888 7.888 8.529 -0.641 19531
1099 1 6 . 1 1 17 17 ALA N N 17 121.070 121.070 122.324 -1.254 19531
1100 1 6 . 1 1 17 17 ALA HA H 17 3.755 3.755 4.313 -0.558 19531
1101 1 6 . 1 1 17 17 ALA C C 17 178.412 178.412 180.033 -1.621 19531
1102 1 6 . 1 1 17 17 ALA CA C 17 55.117 55.117 55.377 -0.260 19531
1103 1 6 . 1 1 17 17 ALA CB C 17 17.292 17.292 18.207 -0.915 19531
1104 1 6 . 1 1 17 17 ALA H H 17 8.339 8.339 8.243 0.096 19531
1105 1 6 . 1 1 18 18 MET N N 18 115.503 115.503 118.128 -2.625 19531
1106 1 6 . 1 1 18 18 MET HA H 18 4.197 4.197 4.196 0.001 19531
1107 1 6 . 1 1 18 18 MET C C 18 177.183 177.183 178.281 -1.098 19531
1108 1 6 . 1 1 18 18 MET CA C 18 58.472 58.472 59.558 -1.086 19531
1109 1 6 . 1 1 18 18 MET CB C 18 32.163 32.163 32.757 -0.594 19531
1110 1 6 . 1 1 18 18 MET H H 18 8.083 8.083 7.875 0.208 19531
1111 1 6 . 1 1 19 19 PHE N N 19 118.667 118.667 119.876 -1.209 19531
1112 1 6 . 1 1 19 19 PHE HA H 19 4.108 4.108 4.080 0.028 19531
1113 1 6 . 1 1 19 19 PHE C C 19 176.162 176.162 177.711 -1.549 19531
1114 1 6 . 1 1 19 19 PHE CA C 19 60.891 60.891 62.045 -1.154 19531
1115 1 6 . 1 1 19 19 PHE CB C 19 38.120 38.120 38.940 -0.820 19531
1116 1 6 . 1 1 19 19 PHE H H 19 8.360 8.360 7.906 0.454 19531
1117 1 6 . 1 1 20 20 PHE N N 20 118.069 118.069 118.939 -0.870 19531
1118 1 6 . 1 1 20 20 PHE HA H 20 4.007 4.007 4.304 -0.297 19531
1119 1 6 . 1 1 20 20 PHE CA C 20 61.188 61.188 61.096 0.092 19531
1120 1 6 . 1 1 20 20 PHE CB C 20 38.062 38.062 38.712 -0.650 19531
1121 1 6 . 1 1 20 20 PHE H H 20 8.405 8.405 8.529 -0.124 19531
1122 1 6 . 1 1 21 21 TRP N N 21 119.005 119.005 121.091 -2.086 19531
1123 1 6 . 1 1 21 21 TRP HA H 21 4.331 4.331 4.445 -0.114 19531
1124 1 6 . 1 1 21 21 TRP H H 21 8.406 8.406 8.487 -0.081 19531
1125 1 6 . 1 1 22 22 LEU N N 22 118.489 118.489 120.568 -2.079 19531
1126 1 6 . 1 1 22 22 LEU HA H 22 3.810 3.810 3.733 0.077 19531
1127 1 6 . 1 1 22 22 LEU C C 22 177.893 177.893 178.819 -0.926 19531
1128 1 6 . 1 1 22 22 LEU CA C 22 57.546 57.546 57.792 -0.246 19531
1129 1 6 . 1 1 22 22 LEU CB C 22 40.825 40.825 41.766 -0.941 19531
1130 1 6 . 1 1 22 22 LEU H H 22 8.161 8.161 8.363 -0.202 19531
1131 1 6 . 1 1 23 23 LEU N N 23 118.413 118.413 118.254 0.159 19531
1132 1 6 . 1 1 23 23 LEU HA H 23 3.799 3.799 3.924 -0.125 19531
1133 1 6 . 1 1 23 23 LEU C C 23 177.849 177.849 178.342 -0.493 19531
1134 1 6 . 1 1 23 23 LEU CA C 23 57.459 57.459 58.021 -0.562 19531
1135 1 6 . 1 1 23 23 LEU CB C 23 40.810 40.810 41.093 -0.283 19531
1136 1 6 . 1 1 23 23 LEU H H 23 8.125 8.125 8.058 0.067 19531
1137 1 6 . 1 1 24 24 LEU N N 24 118.214 118.214 120.061 -1.847 19531
1138 1 6 . 1 1 24 24 LEU HA H 24 3.762 3.762 3.930 -0.168 19531
1139 1 6 . 1 1 24 24 LEU C C 24 178.031 178.031 178.594 -0.563 19531
1140 1 6 . 1 1 24 24 LEU CA C 24 57.671 57.671 58.033 -0.362 19531
1141 1 6 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.780 -1.077 19531
1142 1 6 . 1 1 24 24 LEU H H 24 8.136 8.136 7.708 0.428 19531
1143 1 6 . 1 1 25 25 VAL N N 25 118.045 118.045 118.726 -0.681 19531
1144 1 6 . 1 1 25 25 VAL HA H 25 3.480 3.480 3.449 0.031 19531
1145 1 6 . 1 1 25 25 VAL C C 25 177.205 177.205 177.969 -0.764 19531
1146 1 6 . 1 1 25 25 VAL CA C 25 66.663 66.663 66.397 0.266 19531
1147 1 6 . 1 1 25 25 VAL CB C 25 30.678 30.678 31.147 -0.469 19531
1148 1 6 . 1 1 25 25 VAL H H 25 8.070 8.070 7.313 0.757 19531
1149 1 6 . 1 1 26 26 ILE N N 26 119.465 119.465 121.143 -1.678 19531
1150 1 6 . 1 1 26 26 ILE HA H 26 3.600 3.600 3.562 0.038 19531
1151 1 6 . 1 1 26 26 ILE C C 26 178.973 178.973 177.966 1.007 19531
1152 1 6 . 1 1 26 26 ILE CA C 26 64.732 64.732 65.784 -1.052 19531
1153 1 6 . 1 1 26 26 ILE CB C 26 36.875 36.875 37.891 -1.016 19531
1154 1 6 . 1 1 26 26 ILE H H 26 8.236 8.236 7.530 0.706 19531
1155 1 6 . 1 1 27 27 ILE N N 27 123.026 123.026 120.123 2.903 19531
1156 1 6 . 1 1 27 27 ILE HA H 27 3.548 3.548 3.673 -0.125 19531
1157 1 6 . 1 1 27 27 ILE C C 27 177.205 177.205 177.970 -0.765 19531
1158 1 6 . 1 1 27 27 ILE CA C 27 65.539 65.539 65.632 -0.093 19531
1159 1 6 . 1 1 27 27 ILE CB C 27 36.861 36.861 37.872 -1.011 19531
1160 1 6 . 1 1 27 27 ILE H H 27 8.672 8.672 7.866 0.806 19531
1161 1 6 . 1 1 28 28 LEU N N 28 120.208 120.208 119.505 0.703 19531
1162 1 6 . 1 1 28 28 LEU HA H 28 3.967 3.967 3.967 0.000 19531
1163 1 6 . 1 1 28 28 LEU C C 28 178.275 178.275 178.881 -0.606 19531
1164 1 6 . 1 1 28 28 LEU CA C 28 57.711 57.711 57.856 -0.145 19531
1165 1 6 . 1 1 28 28 LEU CB C 28 40.858 40.858 41.403 -0.545 19531
1166 1 6 . 1 1 28 28 LEU H H 28 8.700 8.700 8.115 0.585 19531
1167 1 6 . 1 1 29 29 ARG N N 29 117.024 117.024 119.682 -2.658 19531
1168 1 6 . 1 1 29 29 ARG HA H 29 3.992 3.992 4.058 -0.066 19531
1169 1 6 . 1 1 29 29 ARG C C 29 177.555 177.555 178.557 -1.002 19531
1170 1 6 . 1 1 29 29 ARG CA C 29 58.169 58.169 59.725 -1.556 19531
1171 1 6 . 1 1 29 29 ARG CB C 29 29.514 29.514 30.151 -0.637 19531
1172 1 6 . 1 1 29 29 ARG H H 29 8.401 8.401 8.495 -0.094 19531
1173 1 6 . 1 1 30 30 THR N N 30 115.290 115.290 114.843 0.447 19531
1174 1 6 . 1 1 30 30 THR HA H 30 3.989 3.989 4.103 -0.114 19531
1175 1 6 . 1 1 30 30 THR C C 30 175.667 175.667 175.959 -0.292 19531
1176 1 6 . 1 1 30 30 THR CA C 30 65.901 65.901 66.045 -0.144 19531
1177 1 6 . 1 1 30 30 THR CB C 30 68.152 68.152 68.708 -0.556 19531
1178 1 6 . 1 1 30 30 THR H H 30 7.920 7.920 8.209 -0.289 19531
1179 1 6 . 1 1 31 31 VAL N N 31 120.275 120.275 119.209 1.066 19531
1180 1 6 . 1 1 31 31 VAL HA H 31 3.796 3.796 3.840 -0.044 19531
1181 1 6 . 1 1 31 31 VAL C C 31 176.518 176.518 177.180 -0.662 19531
1182 1 6 . 1 1 31 31 VAL CA C 31 64.691 64.691 65.413 -0.722 19531
1183 1 6 . 1 1 31 31 VAL CB C 31 31.135 31.135 31.831 -0.696 19531
1184 1 6 . 1 1 31 31 VAL H H 31 8.296 8.296 7.783 0.513 19531
1185 1 6 . 1 1 32 32 LYS N N 32 120.070 120.070 119.859 0.211 19531
1186 1 6 . 1 1 32 32 LYS HA H 32 4.146 4.146 4.003 0.143 19531
1187 1 6 . 1 1 32 32 LYS C C 32 177.183 177.183 178.461 -1.278 19531
1188 1 6 . 1 1 32 32 LYS CA C 32 57.363 57.363 59.203 -1.839 19531
1189 1 6 . 1 1 32 32 LYS CB C 32 31.916 31.916 32.122 -0.206 19531
1190 1 6 . 1 1 32 32 LYS H H 32 8.028 8.028 7.942 0.086 19531
1191 1 6 . 1 1 33 33 ARG N N 33 119.397 119.397 116.099 3.298 19531
1192 1 6 . 1 1 33 33 ARG HA H 33 4.225 4.225 4.412 -0.187 19531
1193 1 6 . 1 1 33 33 ARG C C 33 176.780 176.780 175.872 0.908 19531
1194 1 6 . 1 1 33 33 ARG CA C 33 56.612 56.612 55.272 1.340 19531
1195 1 6 . 1 1 33 33 ARG CB C 33 29.738 29.738 29.018 0.720 19531
1196 1 6 . 1 1 33 33 ARG H H 33 7.862 7.862 7.584 0.278 19531
1197 1 6 . 1 1 34 34 ALA N N 34 123.007 123.007 121.220 1.787 19531
1198 1 6 . 1 1 34 34 ALA HA H 34 4.277 4.277 4.461 -0.184 19531
1199 1 6 . 1 1 34 34 ALA C C 34 177.085 177.085 177.016 0.069 19531
1200 1 6 . 1 1 34 34 ALA CA C 34 52.589 52.589 51.866 0.723 19531
1201 1 6 . 1 1 34 34 ALA CB C 34 18.354 18.354 20.911 -2.557 19531
1202 1 6 . 1 1 34 34 ALA H H 34 8.083 8.083 7.951 0.132 19531
1203 1 6 . 1 1 35 35 ASN N N 35 116.331 116.331 119.013 -2.682 19531
1204 1 6 . 1 1 35 35 ASN HA H 35 4.735 4.735 4.721 0.014 19531
1205 1 6 . 1 1 35 35 ASN C C 35 174.979 174.979 175.697 -0.718 19531
1206 1 6 . 1 1 35 35 ASN CA C 35 52.886 52.886 53.729 -0.843 19531
1207 1 6 . 1 1 35 35 ASN CB C 35 38.827 38.827 39.364 -0.537 19531
1208 1 6 . 1 1 35 35 ASN H H 35 8.042 8.042 7.916 0.126 19531
1209 1 6 . 1 1 36 36 GLY N N 36 108.491 108.491 112.623 -4.132 19531
1210 1 6 . 1 1 36 36 GLY C C 36 173.211 173.211 173.998 -0.787 19531
1211 1 6 . 1 1 36 36 GLY CA C 36 44.953 44.953 44.996 -0.043 19531
1212 1 6 . 1 1 36 36 GLY H H 36 8.063 8.063 8.532 -0.469 19531
1213 1 7 . 1 1 2 2 LYS N N 2 121.638 121.638 120.063 1.575 19531
1214 1 7 . 1 1 2 2 LYS HA H 2 4.158 4.158 4.286 -0.128 19531
1215 1 7 . 1 1 2 2 LYS C C 2 176.441 176.441 178.405 -1.964 19531
1216 1 7 . 1 1 2 2 LYS CA C 2 57.601 57.601 57.923 -0.322 19531
1217 1 7 . 1 1 2 2 LYS CB C 2 32.121 32.121 32.093 0.028 19531
1218 1 7 . 1 1 2 2 LYS H H 2 8.417 8.417 8.207 0.210 19531
1219 1 7 . 1 1 3 3 THR N N 3 114.230 114.230 116.087 -1.857 19531
1220 1 7 . 1 1 3 3 THR HA H 3 4.123 4.123 4.154 -0.031 19531
1221 1 7 . 1 1 3 3 THR C C 3 174.346 174.346 176.267 -1.921 19531
1222 1 7 . 1 1 3 3 THR CA C 3 63.394 63.394 65.576 -2.182 19531
1223 1 7 . 1 1 3 3 THR CB C 3 68.478 68.478 68.667 -0.189 19531
1224 1 7 . 1 1 3 3 THR H H 3 7.990 7.990 8.215 -0.225 19531
1225 1 7 . 1 1 4 4 ASN N N 4 120.011 120.011 118.383 1.628 19531
1226 1 7 . 1 1 4 4 ASN HA H 4 4.613 4.613 4.405 0.208 19531
1227 1 7 . 1 1 4 4 ASN C C 4 176.190 176.190 177.406 -1.216 19531
1228 1 7 . 1 1 4 4 ASN CA C 4 54.387 54.387 56.154 -1.767 19531
1229 1 7 . 1 1 4 4 ASN CB C 4 37.862 37.862 37.974 -0.112 19531
1230 1 7 . 1 1 4 4 ASN H H 4 8.081 8.081 8.428 -0.347 19531
1231 1 7 . 1 1 5 5 LEU N N 5 121.330 121.330 120.432 0.898 19531
1232 1 7 . 1 1 5 5 LEU HA H 5 4.066 4.066 3.892 0.174 19531
1233 1 7 . 1 1 5 5 LEU C C 5 177.336 177.336 179.063 -1.727 19531
1234 1 7 . 1 1 5 5 LEU CA C 5 57.390 57.390 58.120 -0.730 19531
1235 1 7 . 1 1 5 5 LEU CB C 5 41.266 41.266 41.635 -0.369 19531
1236 1 7 . 1 1 5 5 LEU H H 5 8.267 8.267 8.325 -0.058 19531
1237 1 7 . 1 1 6 6 GLU N N 6 116.966 116.966 118.090 -1.124 19531
1238 1 7 . 1 1 6 6 GLU HA H 6 3.745 3.745 4.083 -0.338 19531
1239 1 7 . 1 1 6 6 GLU C C 6 176.943 176.943 179.040 -2.097 19531
1240 1 7 . 1 1 6 6 GLU CA C 6 59.511 59.511 59.277 0.234 19531
1241 1 7 . 1 1 6 6 GLU CB C 6 27.497 27.497 28.857 -1.360 19531
1242 1 7 . 1 1 6 6 GLU H H 6 8.243 8.243 8.137 0.106 19531
1243 1 7 . 1 1 7 7 ILE N N 7 117.410 117.410 119.883 -2.473 19531
1244 1 7 . 1 1 7 7 ILE HA H 7 3.716 3.716 3.723 -0.007 19531
1245 1 7 . 1 1 7 7 ILE C C 7 176.932 176.932 177.996 -1.064 19531
1246 1 7 . 1 1 7 7 ILE CA C 7 64.027 64.027 64.681 -0.654 19531
1247 1 7 . 1 1 7 7 ILE CB C 7 36.758 36.758 37.470 -0.712 19531
1248 1 7 . 1 1 7 7 ILE H H 7 7.776 7.776 8.000 -0.224 19531
1249 1 7 . 1 1 8 8 ILE N N 8 120.195 120.195 120.975 -0.780 19531
1250 1 7 . 1 1 8 8 ILE HA H 8 3.873 3.873 3.727 0.146 19531
1251 1 7 . 1 1 8 8 ILE C C 8 177.565 177.565 178.046 -0.481 19531
1252 1 7 . 1 1 8 8 ILE CA C 8 64.395 64.395 65.825 -1.429 19531
1253 1 7 . 1 1 8 8 ILE CB C 8 36.982 36.982 38.063 -1.081 19531
1254 1 7 . 1 1 8 8 ILE H H 8 7.775 7.775 7.750 0.025 19531
1255 1 7 . 1 1 9 9 ILE N N 9 119.224 119.224 119.497 -0.273 19531
1256 1 7 . 1 1 9 9 ILE HA H 9 3.769 3.769 3.780 -0.011 19531
1257 1 7 . 1 1 9 9 ILE C C 9 178.886 178.886 178.019 0.867 19531
1258 1 7 . 1 1 9 9 ILE CA C 9 64.384 64.384 64.644 -0.260 19531
1259 1 7 . 1 1 9 9 ILE CB C 9 36.685 36.685 37.759 -1.074 19531
1260 1 7 . 1 1 9 9 ILE H H 9 8.251 8.251 7.684 0.567 19531
1261 1 7 . 1 1 10 10 LEU N N 10 123.325 123.325 121.022 2.303 19531
1262 1 7 . 1 1 10 10 LEU HA H 10 4.067 4.067 4.020 0.047 19531
1263 1 7 . 1 1 10 10 LEU C C 10 177.675 177.675 178.802 -1.127 19531
1264 1 7 . 1 1 10 10 LEU CA C 10 58.240 58.240 58.072 0.168 19531
1265 1 7 . 1 1 10 10 LEU CB C 10 41.314 41.314 41.824 -0.510 19531
1266 1 7 . 1 1 10 10 LEU H H 10 8.324 8.324 8.457 -0.133 19531
1267 1 7 . 1 1 11 11 GLU N N 11 117.683 117.683 118.756 -1.073 19531
1268 1 7 . 1 1 11 11 GLU HA H 11 3.873 3.873 3.972 -0.099 19531
1269 1 7 . 1 1 11 11 GLU C C 11 177.653 177.653 179.242 -1.589 19531
1270 1 7 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.904 -0.651 19531
1271 1 7 . 1 1 11 11 GLU CB C 11 27.731 27.731 29.156 -1.425 19531
1272 1 7 . 1 1 11 11 GLU H H 11 8.813 8.813 8.591 0.222 19531
1273 1 7 . 1 1 12 12 GLY N N 12 105.086 105.086 106.921 -1.835 19531
1274 1 7 . 1 1 12 12 GLY C C 12 174.335 174.335 175.829 -1.494 19531
1275 1 7 . 1 1 12 12 GLY CA C 12 46.866 46.866 46.941 -0.075 19531
1276 1 7 . 1 1 12 12 GLY H H 12 8.982 8.982 8.073 0.909 19531
1277 1 7 . 1 1 13 13 THR N N 13 117.460 117.460 119.582 -2.122 19531
1278 1 7 . 1 1 13 13 THR HA H 13 3.807 3.807 3.832 -0.025 19531
1279 1 7 . 1 1 13 13 THR C C 13 174.935 174.935 176.455 -1.520 19531
1280 1 7 . 1 1 13 13 THR CA C 13 67.282 67.282 66.179 1.103 19531
1281 1 7 . 1 1 13 13 THR CB C 13 68.420 68.420 68.623 -0.203 19531
1282 1 7 . 1 1 13 13 THR H H 13 8.390 8.390 7.577 0.813 19531
1283 1 7 . 1 1 14 14 ALA N N 14 123.171 123.171 124.831 -1.660 19531
1284 1 7 . 1 1 14 14 ALA HA H 14 3.934 3.934 4.083 -0.149 19531
1285 1 7 . 1 1 14 14 ALA C C 14 178.067 178.067 179.182 -1.115 19531
1286 1 7 . 1 1 14 14 ALA CA C 14 54.902 54.902 55.266 -0.364 19531
1287 1 7 . 1 1 14 14 ALA CB C 14 17.380 17.380 18.195 -0.815 19531
1288 1 7 . 1 1 14 14 ALA H H 14 8.038 8.038 8.148 -0.110 19531
1289 1 7 . 1 1 15 15 VAL N N 15 116.350 116.350 117.756 -1.406 19531
1290 1 7 . 1 1 15 15 VAL HA H 15 3.543 3.543 3.573 -0.030 19531
1291 1 7 . 1 1 15 15 VAL C C 15 176.683 176.683 178.127 -1.444 19531
1292 1 7 . 1 1 15 15 VAL CA C 15 66.397 66.397 66.214 0.183 19531
1293 1 7 . 1 1 15 15 VAL CB C 15 30.720 30.720 31.417 -0.697 19531
1294 1 7 . 1 1 15 15 VAL H H 15 7.806 7.806 7.487 0.319 19531
1295 1 7 . 1 1 16 16 ILE N N 16 119.033 119.033 121.290 -2.257 19531
1296 1 7 . 1 1 16 16 ILE HA H 16 3.578 3.578 3.673 -0.095 19531
1297 1 7 . 1 1 16 16 ILE C C 16 176.725 176.725 177.363 -0.638 19531
1298 1 7 . 1 1 16 16 ILE CA C 16 64.497 64.497 65.284 -0.787 19531
1299 1 7 . 1 1 16 16 ILE CB C 16 36.631 36.631 37.682 -1.051 19531
1300 1 7 . 1 1 16 16 ILE H H 16 7.888 7.888 8.346 -0.458 19531
1301 1 7 . 1 1 17 17 ALA N N 17 121.070 121.070 121.997 -0.927 19531
1302 1 7 . 1 1 17 17 ALA HA H 17 3.755 3.755 3.673 0.082 19531
1303 1 7 . 1 1 17 17 ALA C C 17 178.412 178.412 179.544 -1.132 19531
1304 1 7 . 1 1 17 17 ALA CA C 17 55.117 55.117 54.932 0.185 19531
1305 1 7 . 1 1 17 17 ALA CB C 17 17.292 17.292 17.711 -0.419 19531
1306 1 7 . 1 1 17 17 ALA H H 17 8.339 8.339 8.023 0.316 19531
1307 1 7 . 1 1 18 18 MET N N 18 115.503 115.503 117.851 -2.348 19531
1308 1 7 . 1 1 18 18 MET HA H 18 4.197 4.197 4.090 0.107 19531
1309 1 7 . 1 1 18 18 MET C C 18 177.183 177.183 178.427 -1.244 19531
1310 1 7 . 1 1 18 18 MET CA C 18 58.472 58.472 59.534 -1.062 19531
1311 1 7 . 1 1 18 18 MET CB C 18 32.163 32.163 32.894 -0.731 19531
1312 1 7 . 1 1 18 18 MET H H 18 8.083 8.083 7.701 0.382 19531
1313 1 7 . 1 1 19 19 PHE N N 19 118.667 118.667 118.562 0.105 19531
1314 1 7 . 1 1 19 19 PHE HA H 19 4.108 4.108 4.230 -0.122 19531
1315 1 7 . 1 1 19 19 PHE C C 19 176.162 176.162 178.318 -2.156 19531
1316 1 7 . 1 1 19 19 PHE CA C 19 60.891 60.891 60.175 0.716 19531
1317 1 7 . 1 1 19 19 PHE CB C 19 38.120 38.120 38.107 0.013 19531
1318 1 7 . 1 1 19 19 PHE H H 19 8.360 8.360 8.144 0.216 19531
1319 1 7 . 1 1 20 20 PHE N N 20 118.069 118.069 121.408 -3.339 19531
1320 1 7 . 1 1 20 20 PHE HA H 20 4.007 4.007 4.189 -0.182 19531
1321 1 7 . 1 1 20 20 PHE CA C 20 61.188 61.188 62.631 -1.443 19531
1322 1 7 . 1 1 20 20 PHE CB C 20 38.062 38.062 38.992 -0.930 19531
1323 1 7 . 1 1 20 20 PHE H H 20 8.405 8.405 8.681 -0.276 19531
1324 1 7 . 1 1 21 21 TRP N N 21 119.005 119.005 118.726 0.279 19531
1325 1 7 . 1 1 21 21 TRP HA H 21 4.331 4.331 4.505 -0.174 19531
1326 1 7 . 1 1 21 21 TRP H H 21 8.406 8.406 8.009 0.397 19531
1327 1 7 . 1 1 22 22 LEU N N 22 118.489 118.489 120.700 -2.211 19531
1328 1 7 . 1 1 22 22 LEU HA H 22 3.810 3.810 4.083 -0.273 19531
1329 1 7 . 1 1 22 22 LEU C C 22 177.893 177.893 178.796 -0.903 19531
1330 1 7 . 1 1 22 22 LEU CA C 22 57.546 57.546 58.221 -0.675 19531
1331 1 7 . 1 1 22 22 LEU CB C 22 40.825 40.825 41.552 -0.727 19531
1332 1 7 . 1 1 22 22 LEU H H 22 8.161 8.161 8.885 -0.724 19531
1333 1 7 . 1 1 23 23 LEU N N 23 118.413 118.413 119.690 -1.277 19531
1334 1 7 . 1 1 23 23 LEU HA H 23 3.799 3.799 3.761 0.038 19531
1335 1 7 . 1 1 23 23 LEU C C 23 177.849 177.849 179.088 -1.239 19531
1336 1 7 . 1 1 23 23 LEU CA C 23 57.459 57.459 58.295 -0.836 19531
1337 1 7 . 1 1 23 23 LEU CB C 23 40.810 40.810 41.577 -0.767 19531
1338 1 7 . 1 1 23 23 LEU H H 23 8.125 8.125 8.191 -0.066 19531
1339 1 7 . 1 1 24 24 LEU N N 24 118.214 118.214 119.135 -0.921 19531
1340 1 7 . 1 1 24 24 LEU HA H 24 3.762 3.762 4.013 -0.251 19531
1341 1 7 . 1 1 24 24 LEU C C 24 178.031 178.031 179.157 -1.126 19531
1342 1 7 . 1 1 24 24 LEU CA C 24 57.671 57.671 58.643 -0.972 19531
1343 1 7 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.666 -0.963 19531
1344 1 7 . 1 1 24 24 LEU H H 24 8.136 8.136 7.904 0.232 19531
1345 1 7 . 1 1 25 25 VAL N N 25 118.045 118.045 119.665 -1.620 19531
1346 1 7 . 1 1 25 25 VAL HA H 25 3.480 3.480 3.682 -0.202 19531
1347 1 7 . 1 1 25 25 VAL C C 25 177.205 177.205 178.385 -1.180 19531
1348 1 7 . 1 1 25 25 VAL CA C 25 66.663 66.663 66.876 -0.213 19531
1349 1 7 . 1 1 25 25 VAL CB C 25 30.678 30.678 31.305 -0.627 19531
1350 1 7 . 1 1 25 25 VAL H H 25 8.070 8.070 7.746 0.324 19531
1351 1 7 . 1 1 26 26 ILE N N 26 119.465 119.465 121.024 -1.559 19531
1352 1 7 . 1 1 26 26 ILE HA H 26 3.600 3.600 3.686 -0.086 19531
1353 1 7 . 1 1 26 26 ILE C C 26 178.973 178.973 178.229 0.744 19531
1354 1 7 . 1 1 26 26 ILE CA C 26 64.732 64.732 65.645 -0.913 19531
1355 1 7 . 1 1 26 26 ILE CB C 26 36.875 36.875 37.833 -0.958 19531
1356 1 7 . 1 1 26 26 ILE H H 26 8.236 8.236 8.301 -0.065 19531
1357 1 7 . 1 1 27 27 ILE N N 27 123.026 123.026 120.729 2.297 19531
1358 1 7 . 1 1 27 27 ILE HA H 27 3.548 3.548 3.663 -0.115 19531
1359 1 7 . 1 1 27 27 ILE C C 27 177.205 177.205 177.958 -0.753 19531
1360 1 7 . 1 1 27 27 ILE CA C 27 65.539 65.539 65.679 -0.140 19531
1361 1 7 . 1 1 27 27 ILE CB C 27 36.861 36.861 37.823 -0.962 19531
1362 1 7 . 1 1 27 27 ILE H H 27 8.672 8.672 8.109 0.563 19531
1363 1 7 . 1 1 28 28 LEU N N 28 120.208 120.208 119.818 0.390 19531
1364 1 7 . 1 1 28 28 LEU HA H 28 3.967 3.967 3.963 0.004 19531
1365 1 7 . 1 1 28 28 LEU C C 28 178.275 178.275 178.771 -0.496 19531
1366 1 7 . 1 1 28 28 LEU CA C 28 57.711 57.711 58.079 -0.368 19531
1367 1 7 . 1 1 28 28 LEU CB C 28 40.858 40.858 41.473 -0.615 19531
1368 1 7 . 1 1 28 28 LEU H H 28 8.700 8.700 8.142 0.558 19531
1369 1 7 . 1 1 29 29 ARG N N 29 117.024 117.024 119.619 -2.595 19531
1370 1 7 . 1 1 29 29 ARG HA H 29 3.992 3.992 4.011 -0.019 19531
1371 1 7 . 1 1 29 29 ARG C C 29 177.555 177.555 178.540 -0.985 19531
1372 1 7 . 1 1 29 29 ARG CA C 29 58.169 58.169 60.039 -1.870 19531
1373 1 7 . 1 1 29 29 ARG CB C 29 29.514 29.514 30.206 -0.692 19531
1374 1 7 . 1 1 29 29 ARG H H 29 8.401 8.401 8.328 0.073 19531
1375 1 7 . 1 1 30 30 THR N N 30 115.290 115.290 115.130 0.160 19531
1376 1 7 . 1 1 30 30 THR HA H 30 3.989 3.989 4.039 -0.050 19531
1377 1 7 . 1 1 30 30 THR C C 30 175.667 175.667 176.101 -0.434 19531
1378 1 7 . 1 1 30 30 THR CA C 30 65.901 65.901 66.693 -0.792 19531
1379 1 7 . 1 1 30 30 THR CB C 30 68.152 68.152 68.852 -0.700 19531
1380 1 7 . 1 1 30 30 THR H H 30 7.920 7.920 8.144 -0.224 19531
1381 1 7 . 1 1 31 31 VAL N N 31 120.275 120.275 121.257 -0.982 19531
1382 1 7 . 1 1 31 31 VAL HA H 31 3.796 3.796 3.665 0.131 19531
1383 1 7 . 1 1 31 31 VAL C C 31 176.518 176.518 177.145 -0.627 19531
1384 1 7 . 1 1 31 31 VAL CA C 31 64.691 64.691 65.983 -1.292 19531
1385 1 7 . 1 1 31 31 VAL CB C 31 31.135 31.135 32.030 -0.895 19531
1386 1 7 . 1 1 31 31 VAL H H 31 8.296 8.296 7.713 0.583 19531
1387 1 7 . 1 1 32 32 LYS N N 32 120.070 120.070 120.385 -0.315 19531
1388 1 7 . 1 1 32 32 LYS HA H 32 4.146 4.146 3.993 0.153 19531
1389 1 7 . 1 1 32 32 LYS C C 32 177.183 177.183 178.872 -1.689 19531
1390 1 7 . 1 1 32 32 LYS CA C 32 57.363 57.363 58.674 -1.311 19531
1391 1 7 . 1 1 32 32 LYS CB C 32 31.916 31.916 32.192 -0.276 19531
1392 1 7 . 1 1 32 32 LYS H H 32 8.028 8.028 8.253 -0.225 19531
1393 1 7 . 1 1 33 33 ARG N N 33 119.397 119.397 116.600 2.797 19531
1394 1 7 . 1 1 33 33 ARG HA H 33 4.225 4.225 4.353 -0.128 19531
1395 1 7 . 1 1 33 33 ARG C C 33 176.780 176.780 175.769 1.011 19531
1396 1 7 . 1 1 33 33 ARG CA C 33 56.612 56.612 55.680 0.932 19531
1397 1 7 . 1 1 33 33 ARG CB C 33 29.738 29.738 28.993 0.745 19531
1398 1 7 . 1 1 33 33 ARG H H 33 7.862 7.862 7.769 0.093 19531
1399 1 7 . 1 1 34 34 ALA N N 34 123.007 123.007 121.332 1.675 19531
1400 1 7 . 1 1 34 34 ALA HA H 34 4.277 4.277 4.468 -0.191 19531
1401 1 7 . 1 1 34 34 ALA C C 34 177.085 177.085 176.740 0.345 19531
1402 1 7 . 1 1 34 34 ALA CA C 34 52.589 52.589 52.071 0.519 19531
1403 1 7 . 1 1 34 34 ALA CB C 34 18.354 18.354 20.906 -2.552 19531
1404 1 7 . 1 1 34 34 ALA H H 34 8.083 8.083 8.119 -0.036 19531
1405 1 7 . 1 1 35 35 ASN N N 35 116.331 116.331 118.183 -1.852 19531
1406 1 7 . 1 1 35 35 ASN HA H 35 4.735 4.735 4.783 -0.048 19531
1407 1 7 . 1 1 35 35 ASN C C 35 174.979 174.979 176.869 -1.890 19531
1408 1 7 . 1 1 35 35 ASN CA C 35 52.886 52.886 53.097 -0.211 19531
1409 1 7 . 1 1 35 35 ASN CB C 35 38.827 38.827 39.602 -0.775 19531
1410 1 7 . 1 1 35 35 ASN H H 35 8.042 8.042 7.734 0.308 19531
1411 1 7 . 1 1 36 36 GLY N N 36 108.491 108.491 111.331 -2.840 19531
1412 1 7 . 1 1 36 36 GLY C C 36 173.211 173.211 174.880 -1.669 19531
1413 1 7 . 1 1 36 36 GLY CA C 36 44.953 44.953 45.151 -0.198 19531
1414 1 7 . 1 1 36 36 GLY H H 36 8.063 8.063 8.845 -0.782 19531
1415 1 8 . 1 1 2 2 LYS N N 2 121.638 121.638 120.514 1.124 19531
1416 1 8 . 1 1 2 2 LYS HA H 2 4.158 4.158 4.275 -0.117 19531
1417 1 8 . 1 1 2 2 LYS C C 2 176.441 176.441 177.927 -1.486 19531
1418 1 8 . 1 1 2 2 LYS CA C 2 57.601 57.601 58.244 -0.643 19531
1419 1 8 . 1 1 2 2 LYS CB C 2 32.121 32.121 32.135 -0.014 19531
1420 1 8 . 1 1 2 2 LYS H H 2 8.417 8.417 8.412 0.005 19531
1421 1 8 . 1 1 3 3 THR N N 3 114.230 114.230 114.035 0.195 19531
1422 1 8 . 1 1 3 3 THR HA H 3 4.123 4.123 4.117 0.006 19531
1423 1 8 . 1 1 3 3 THR C C 3 174.346 174.346 176.260 -1.914 19531
1424 1 8 . 1 1 3 3 THR CA C 3 63.394 63.394 65.355 -1.961 19531
1425 1 8 . 1 1 3 3 THR CB C 3 68.478 68.478 68.114 0.364 19531
1426 1 8 . 1 1 3 3 THR H H 3 7.990 7.990 7.979 0.011 19531
1427 1 8 . 1 1 4 4 ASN N N 4 120.011 120.011 120.147 -0.136 19531
1428 1 8 . 1 1 4 4 ASN HA H 4 4.613 4.613 4.421 0.192 19531
1429 1 8 . 1 1 4 4 ASN C C 4 176.190 176.190 177.076 -0.886 19531
1430 1 8 . 1 1 4 4 ASN CA C 4 54.387 54.387 55.969 -1.582 19531
1431 1 8 . 1 1 4 4 ASN CB C 4 37.862 37.862 37.876 -0.014 19531
1432 1 8 . 1 1 4 4 ASN H H 4 8.081 8.081 8.295 -0.214 19531
1433 1 8 . 1 1 5 5 LEU N N 5 121.330 121.330 120.144 1.186 19531
1434 1 8 . 1 1 5 5 LEU HA H 5 4.066 4.066 3.842 0.224 19531
1435 1 8 . 1 1 5 5 LEU C C 5 177.336 177.336 179.104 -1.768 19531
1436 1 8 . 1 1 5 5 LEU CA C 5 57.390 57.390 58.145 -0.755 19531
1437 1 8 . 1 1 5 5 LEU CB C 5 41.266 41.266 41.602 -0.336 19531
1438 1 8 . 1 1 5 5 LEU H H 5 8.267 8.267 7.667 0.600 19531
1439 1 8 . 1 1 6 6 GLU N N 6 116.966 116.966 118.140 -1.174 19531
1440 1 8 . 1 1 6 6 GLU HA H 6 3.745 3.745 4.095 -0.350 19531
1441 1 8 . 1 1 6 6 GLU C C 6 176.943 176.943 179.084 -2.141 19531
1442 1 8 . 1 1 6 6 GLU CA C 6 59.511 59.511 59.219 0.292 19531
1443 1 8 . 1 1 6 6 GLU CB C 6 27.497 27.497 28.797 -1.300 19531
1444 1 8 . 1 1 6 6 GLU H H 6 8.243 8.243 8.161 0.082 19531
1445 1 8 . 1 1 7 7 ILE N N 7 117.410 117.410 119.754 -2.344 19531
1446 1 8 . 1 1 7 7 ILE HA H 7 3.716 3.716 3.724 -0.008 19531
1447 1 8 . 1 1 7 7 ILE C C 7 176.932 176.932 178.063 -1.131 19531
1448 1 8 . 1 1 7 7 ILE CA C 7 64.027 64.027 64.600 -0.573 19531
1449 1 8 . 1 1 7 7 ILE CB C 7 36.758 36.758 37.422 -0.664 19531
1450 1 8 . 1 1 7 7 ILE H H 7 7.776 7.776 7.468 0.308 19531
1451 1 8 . 1 1 8 8 ILE N N 8 120.195 120.195 120.850 -0.655 19531
1452 1 8 . 1 1 8 8 ILE HA H 8 3.873 3.873 3.694 0.179 19531
1453 1 8 . 1 1 8 8 ILE C C 8 177.565 177.565 178.005 -0.440 19531
1454 1 8 . 1 1 8 8 ILE CA C 8 64.395 64.395 65.539 -1.144 19531
1455 1 8 . 1 1 8 8 ILE CB C 8 36.982 36.982 38.109 -1.127 19531
1456 1 8 . 1 1 8 8 ILE H H 8 7.775 7.775 8.043 -0.268 19531
1457 1 8 . 1 1 9 9 ILE N N 9 119.224 119.224 119.557 -0.333 19531
1458 1 8 . 1 1 9 9 ILE HA H 9 3.769 3.769 3.736 0.033 19531
1459 1 8 . 1 1 9 9 ILE C C 9 178.886 178.886 177.472 1.414 19531
1460 1 8 . 1 1 9 9 ILE CA C 9 64.384 64.384 64.892 -0.508 19531
1461 1 8 . 1 1 9 9 ILE CB C 9 36.685 36.685 37.669 -0.984 19531
1462 1 8 . 1 1 9 9 ILE H H 9 8.251 8.251 7.692 0.559 19531
1463 1 8 . 1 1 10 10 LEU N N 10 123.325 123.325 120.519 2.806 19531
1464 1 8 . 1 1 10 10 LEU HA H 10 4.067 4.067 3.995 0.072 19531
1465 1 8 . 1 1 10 10 LEU C C 10 177.675 177.675 179.189 -1.514 19531
1466 1 8 . 1 1 10 10 LEU CA C 10 58.240 58.240 58.124 0.116 19531
1467 1 8 . 1 1 10 10 LEU CB C 10 41.314 41.314 41.729 -0.415 19531
1468 1 8 . 1 1 10 10 LEU H H 10 8.324 8.324 8.459 -0.135 19531
1469 1 8 . 1 1 11 11 GLU N N 11 117.683 117.683 118.923 -1.240 19531
1470 1 8 . 1 1 11 11 GLU HA H 11 3.873 3.873 3.993 -0.120 19531
1471 1 8 . 1 1 11 11 GLU C C 11 177.653 177.653 179.220 -1.567 19531
1472 1 8 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.890 -0.637 19531
1473 1 8 . 1 1 11 11 GLU CB C 11 27.731 27.731 29.203 -1.472 19531
1474 1 8 . 1 1 11 11 GLU H H 11 8.813 8.813 8.573 0.240 19531
1475 1 8 . 1 1 12 12 GLY N N 12 105.086 105.086 107.022 -1.936 19531
1476 1 8 . 1 1 12 12 GLY C C 12 174.335 174.335 176.007 -1.672 19531
1477 1 8 . 1 1 12 12 GLY CA C 12 46.866 46.866 47.070 -0.204 19531
1478 1 8 . 1 1 12 12 GLY H H 12 8.982 8.982 8.078 0.904 19531
1479 1 8 . 1 1 13 13 THR N N 13 117.460 117.460 119.399 -1.939 19531
1480 1 8 . 1 1 13 13 THR HA H 13 3.807 3.807 3.775 0.032 19531
1481 1 8 . 1 1 13 13 THR C C 13 174.935 174.935 176.436 -1.501 19531
1482 1 8 . 1 1 13 13 THR CA C 13 67.282 67.282 66.849 0.433 19531
1483 1 8 . 1 1 13 13 THR CB C 13 68.420 68.420 68.455 -0.035 19531
1484 1 8 . 1 1 13 13 THR H H 13 8.390 8.390 7.558 0.832 19531
1485 1 8 . 1 1 14 14 ALA N N 14 123.171 123.171 124.379 -1.208 19531
1486 1 8 . 1 1 14 14 ALA HA H 14 3.934 3.934 4.037 -0.103 19531
1487 1 8 . 1 1 14 14 ALA C C 14 178.067 178.067 179.149 -1.082 19531
1488 1 8 . 1 1 14 14 ALA CA C 14 54.902 54.902 55.081 -0.179 19531
1489 1 8 . 1 1 14 14 ALA CB C 14 17.380 17.380 18.123 -0.744 19531
1490 1 8 . 1 1 14 14 ALA H H 14 8.038 8.038 8.026 0.012 19531
1491 1 8 . 1 1 15 15 VAL N N 15 116.350 116.350 117.744 -1.394 19531
1492 1 8 . 1 1 15 15 VAL HA H 15 3.543 3.543 3.652 -0.109 19531
1493 1 8 . 1 1 15 15 VAL C C 15 176.683 176.683 178.195 -1.512 19531
1494 1 8 . 1 1 15 15 VAL CA C 15 66.397 66.397 66.275 0.122 19531
1495 1 8 . 1 1 15 15 VAL CB C 15 30.720 30.720 31.611 -0.891 19531
1496 1 8 . 1 1 15 15 VAL H H 15 7.806 7.806 7.496 0.310 19531
1497 1 8 . 1 1 16 16 ILE N N 16 119.033 119.033 121.125 -2.092 19531
1498 1 8 . 1 1 16 16 ILE HA H 16 3.578 3.578 3.581 -0.003 19531
1499 1 8 . 1 1 16 16 ILE C C 16 176.725 176.725 177.015 -0.290 19531
1500 1 8 . 1 1 16 16 ILE CA C 16 64.497 64.497 65.106 -0.609 19531
1501 1 8 . 1 1 16 16 ILE CB C 16 36.631 36.631 37.436 -0.805 19531
1502 1 8 . 1 1 16 16 ILE H H 16 7.888 7.888 8.286 -0.398 19531
1503 1 8 . 1 1 17 17 ALA N N 17 121.070 121.070 121.801 -0.731 19531
1504 1 8 . 1 1 17 17 ALA HA H 17 3.755 3.755 3.560 0.195 19531
1505 1 8 . 1 1 17 17 ALA C C 17 178.412 178.412 179.575 -1.163 19531
1506 1 8 . 1 1 17 17 ALA CA C 17 55.117 55.117 54.794 0.323 19531
1507 1 8 . 1 1 17 17 ALA CB C 17 17.292 17.292 17.797 -0.505 19531
1508 1 8 . 1 1 17 17 ALA H H 17 8.339 8.339 7.846 0.493 19531
1509 1 8 . 1 1 18 18 MET N N 18 115.503 115.503 117.681 -2.178 19531
1510 1 8 . 1 1 18 18 MET HA H 18 4.197 4.197 3.828 0.369 19531
1511 1 8 . 1 1 18 18 MET C C 18 177.183 177.183 178.138 -0.955 19531
1512 1 8 . 1 1 18 18 MET CA C 18 58.472 58.472 59.259 -0.787 19531
1513 1 8 . 1 1 18 18 MET CB C 18 32.163 32.163 32.593 -0.430 19531
1514 1 8 . 1 1 18 18 MET H H 18 8.083 8.083 7.569 0.514 19531
1515 1 8 . 1 1 19 19 PHE N N 19 118.667 118.667 120.142 -1.475 19531
1516 1 8 . 1 1 19 19 PHE HA H 19 4.108 4.108 4.150 -0.042 19531
1517 1 8 . 1 1 19 19 PHE C C 19 176.162 176.162 177.992 -1.830 19531
1518 1 8 . 1 1 19 19 PHE CA C 19 60.891 60.891 62.206 -1.315 19531
1519 1 8 . 1 1 19 19 PHE CB C 19 38.120 38.120 39.174 -1.054 19531
1520 1 8 . 1 1 19 19 PHE H H 19 8.360 8.360 7.914 0.446 19531
1521 1 8 . 1 1 20 20 PHE N N 20 118.069 118.069 117.341 0.728 19531
1522 1 8 . 1 1 20 20 PHE HA H 20 4.007 4.007 4.328 -0.321 19531
1523 1 8 . 1 1 20 20 PHE CA C 20 61.188 61.188 61.149 0.039 19531
1524 1 8 . 1 1 20 20 PHE CB C 20 38.062 38.062 37.826 0.236 19531
1525 1 8 . 1 1 20 20 PHE H H 20 8.405 8.405 8.817 -0.412 19531
1526 1 8 . 1 1 21 21 TRP N N 21 119.005 119.005 120.541 -1.536 19531
1527 1 8 . 1 1 21 21 TRP HA H 21 4.331 4.331 4.425 -0.094 19531
1528 1 8 . 1 1 21 21 TRP H H 21 8.406 8.406 8.029 0.377 19531
1529 1 8 . 1 1 22 22 LEU N N 22 118.489 118.489 118.910 -0.421 19531
1530 1 8 . 1 1 22 22 LEU HA H 22 3.810 3.810 3.859 -0.049 19531
1531 1 8 . 1 1 22 22 LEU C C 22 177.893 177.893 179.041 -1.148 19531
1532 1 8 . 1 1 22 22 LEU CA C 22 57.546 57.546 58.196 -0.650 19531
1533 1 8 . 1 1 22 22 LEU CB C 22 40.825 40.825 41.372 -0.547 19531
1534 1 8 . 1 1 22 22 LEU H H 22 8.161 8.161 8.414 -0.253 19531
1535 1 8 . 1 1 23 23 LEU N N 23 118.413 118.413 119.685 -1.272 19531
1536 1 8 . 1 1 23 23 LEU HA H 23 3.799 3.799 3.799 0.000 19531
1537 1 8 . 1 1 23 23 LEU C C 23 177.849 177.849 179.184 -1.335 19531
1538 1 8 . 1 1 23 23 LEU CA C 23 57.459 57.459 57.957 -0.498 19531
1539 1 8 . 1 1 23 23 LEU CB C 23 40.810 40.810 41.595 -0.785 19531
1540 1 8 . 1 1 23 23 LEU H H 23 8.125 8.125 8.224 -0.099 19531
1541 1 8 . 1 1 24 24 LEU N N 24 118.214 118.214 119.389 -1.175 19531
1542 1 8 . 1 1 24 24 LEU HA H 24 3.762 3.762 4.029 -0.267 19531
1543 1 8 . 1 1 24 24 LEU C C 24 178.031 178.031 178.899 -0.868 19531
1544 1 8 . 1 1 24 24 LEU CA C 24 57.671 57.671 58.005 -0.334 19531
1545 1 8 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.656 -0.953 19531
1546 1 8 . 1 1 24 24 LEU H H 24 8.136 8.136 7.951 0.185 19531
1547 1 8 . 1 1 25 25 VAL N N 25 118.045 118.045 119.898 -1.853 19531
1548 1 8 . 1 1 25 25 VAL HA H 25 3.480 3.480 3.644 -0.164 19531
1549 1 8 . 1 1 25 25 VAL C C 25 177.205 177.205 178.284 -1.079 19531
1550 1 8 . 1 1 25 25 VAL CA C 25 66.663 66.663 67.278 -0.614 19531
1551 1 8 . 1 1 25 25 VAL CB C 25 30.678 30.678 31.482 -0.804 19531
1552 1 8 . 1 1 25 25 VAL H H 25 8.070 8.070 7.780 0.290 19531
1553 1 8 . 1 1 26 26 ILE N N 26 119.465 119.465 120.817 -1.352 19531
1554 1 8 . 1 1 26 26 ILE HA H 26 3.600 3.600 3.682 -0.082 19531
1555 1 8 . 1 1 26 26 ILE C C 26 178.973 178.973 178.269 0.704 19531
1556 1 8 . 1 1 26 26 ILE CA C 26 64.732 64.732 65.583 -0.851 19531
1557 1 8 . 1 1 26 26 ILE CB C 26 36.875 36.875 37.828 -0.953 19531
1558 1 8 . 1 1 26 26 ILE H H 26 8.236 8.236 8.228 0.008 19531
1559 1 8 . 1 1 27 27 ILE N N 27 123.026 123.026 120.909 2.117 19531
1560 1 8 . 1 1 27 27 ILE HA H 27 3.548 3.548 3.639 -0.091 19531
1561 1 8 . 1 1 27 27 ILE C C 27 177.205 177.205 177.778 -0.573 19531
1562 1 8 . 1 1 27 27 ILE CA C 27 65.539 65.539 65.971 -0.432 19531
1563 1 8 . 1 1 27 27 ILE CB C 27 36.861 36.861 37.883 -1.022 19531
1564 1 8 . 1 1 27 27 ILE H H 27 8.672 8.672 8.428 0.244 19531
1565 1 8 . 1 1 28 28 LEU N N 28 120.208 120.208 119.485 0.723 19531
1566 1 8 . 1 1 28 28 LEU HA H 28 3.967 3.967 3.913 0.054 19531
1567 1 8 . 1 1 28 28 LEU C C 28 178.275 178.275 178.766 -0.491 19531
1568 1 8 . 1 1 28 28 LEU CA C 28 57.711 57.711 58.156 -0.445 19531
1569 1 8 . 1 1 28 28 LEU CB C 28 40.858 40.858 41.452 -0.594 19531
1570 1 8 . 1 1 28 28 LEU H H 28 8.700 8.700 8.018 0.682 19531
1571 1 8 . 1 1 29 29 ARG N N 29 117.024 117.024 119.484 -2.460 19531
1572 1 8 . 1 1 29 29 ARG HA H 29 3.992 3.992 3.990 0.002 19531
1573 1 8 . 1 1 29 29 ARG C C 29 177.555 177.555 178.561 -1.006 19531
1574 1 8 . 1 1 29 29 ARG CA C 29 58.169 58.169 59.897 -1.728 19531
1575 1 8 . 1 1 29 29 ARG CB C 29 29.514 29.514 30.098 -0.584 19531
1576 1 8 . 1 1 29 29 ARG H H 29 8.401 8.401 8.157 0.244 19531
1577 1 8 . 1 1 30 30 THR N N 30 115.290 115.290 115.535 -0.245 19531
1578 1 8 . 1 1 30 30 THR HA H 30 3.989 3.989 4.040 -0.051 19531
1579 1 8 . 1 1 30 30 THR C C 30 175.667 175.667 177.069 -1.402 19531
1580 1 8 . 1 1 30 30 THR CA C 30 65.901 65.901 66.576 -0.675 19531
1581 1 8 . 1 1 30 30 THR CB C 30 68.152 68.152 68.527 -0.375 19531
1582 1 8 . 1 1 30 30 THR H H 30 7.920 7.920 8.210 -0.290 19531
1583 1 8 . 1 1 31 31 VAL N N 31 120.275 120.275 121.457 -1.182 19531
1584 1 8 . 1 1 31 31 VAL HA H 31 3.796 3.796 3.595 0.201 19531
1585 1 8 . 1 1 31 31 VAL C C 31 176.518 176.518 177.204 -0.686 19531
1586 1 8 . 1 1 31 31 VAL CA C 31 64.691 64.691 66.595 -1.904 19531
1587 1 8 . 1 1 31 31 VAL CB C 31 31.135 31.135 31.476 -0.341 19531
1588 1 8 . 1 1 31 31 VAL H H 31 8.296 8.296 8.171 0.125 19531
1589 1 8 . 1 1 32 32 LYS N N 32 120.070 120.070 118.744 1.326 19531
1590 1 8 . 1 1 32 32 LYS HA H 32 4.146 4.146 3.984 0.162 19531
1591 1 8 . 1 1 32 32 LYS C C 32 177.183 177.183 178.595 -1.412 19531
1592 1 8 . 1 1 32 32 LYS CA C 32 57.363 57.363 59.204 -1.841 19531
1593 1 8 . 1 1 32 32 LYS CB C 32 31.916 31.916 32.319 -0.403 19531
1594 1 8 . 1 1 32 32 LYS H H 32 8.028 8.028 8.140 -0.112 19531
1595 1 8 . 1 1 33 33 ARG N N 33 119.397 119.397 117.762 1.635 19531
1596 1 8 . 1 1 33 33 ARG HA H 33 4.225 4.225 4.324 -0.099 19531
1597 1 8 . 1 1 33 33 ARG C C 33 176.780 176.780 175.787 0.993 19531
1598 1 8 . 1 1 33 33 ARG CA C 33 56.612 56.612 55.750 0.862 19531
1599 1 8 . 1 1 33 33 ARG CB C 33 29.738 29.738 29.095 0.643 19531
1600 1 8 . 1 1 33 33 ARG H H 33 7.862 7.862 7.427 0.435 19531
1601 1 8 . 1 1 34 34 ALA N N 34 123.007 123.007 120.725 2.282 19531
1602 1 8 . 1 1 34 34 ALA HA H 34 4.277 4.277 4.564 -0.287 19531
1603 1 8 . 1 1 34 34 ALA C C 34 177.085 177.085 176.464 0.621 19531
1604 1 8 . 1 1 34 34 ALA CA C 34 52.589 52.589 52.167 0.422 19531
1605 1 8 . 1 1 34 34 ALA CB C 34 18.354 18.354 20.661 -2.307 19531
1606 1 8 . 1 1 34 34 ALA H H 34 8.083 8.083 8.182 -0.099 19531
1607 1 8 . 1 1 35 35 ASN N N 35 116.331 116.331 117.633 -1.302 19531
1608 1 8 . 1 1 35 35 ASN HA H 35 4.735 4.735 4.955 -0.220 19531
1609 1 8 . 1 1 35 35 ASN C C 35 174.979 174.979 176.497 -1.518 19531
1610 1 8 . 1 1 35 35 ASN CA C 35 52.886 52.886 52.666 0.220 19531
1611 1 8 . 1 1 35 35 ASN CB C 35 38.827 38.827 40.477 -1.649 19531
1612 1 8 . 1 1 35 35 ASN H H 35 8.042 8.042 7.657 0.385 19531
1613 1 8 . 1 1 36 36 GLY N N 36 108.491 108.491 109.447 -0.956 19531
1614 1 8 . 1 1 36 36 GLY C C 36 173.211 173.211 175.206 -1.995 19531
1615 1 8 . 1 1 36 36 GLY CA C 36 44.953 44.953 45.608 -0.655 19531
1616 1 8 . 1 1 36 36 GLY H H 36 8.063 8.063 8.417 -0.354 19531
1617 1 9 . 1 1 2 2 LYS N N 2 121.638 121.638 119.909 1.729 19531
1618 1 9 . 1 1 2 2 LYS HA H 2 4.158 4.158 4.219 -0.061 19531
1619 1 9 . 1 1 2 2 LYS C C 2 176.441 176.441 178.625 -2.184 19531
1620 1 9 . 1 1 2 2 LYS CA C 2 57.601 57.601 58.325 -0.724 19531
1621 1 9 . 1 1 2 2 LYS CB C 2 32.121 32.121 32.112 0.009 19531
1622 1 9 . 1 1 2 2 LYS H H 2 8.417 8.417 8.230 0.187 19531
1623 1 9 . 1 1 3 3 THR N N 3 114.230 114.230 115.518 -1.288 19531
1624 1 9 . 1 1 3 3 THR HA H 3 4.123 4.123 4.035 0.088 19531
1625 1 9 . 1 1 3 3 THR C C 3 174.346 174.346 176.321 -1.975 19531
1626 1 9 . 1 1 3 3 THR CA C 3 63.394 63.394 65.829 -2.435 19531
1627 1 9 . 1 1 3 3 THR CB C 3 68.478 68.478 68.656 -0.179 19531
1628 1 9 . 1 1 3 3 THR H H 3 7.990 7.990 8.184 -0.194 19531
1629 1 9 . 1 1 4 4 ASN N N 4 120.011 120.011 118.898 1.113 19531
1630 1 9 . 1 1 4 4 ASN HA H 4 4.613 4.613 4.411 0.202 19531
1631 1 9 . 1 1 4 4 ASN C C 4 176.190 176.190 177.498 -1.308 19531
1632 1 9 . 1 1 4 4 ASN CA C 4 54.387 54.387 56.073 -1.686 19531
1633 1 9 . 1 1 4 4 ASN CB C 4 37.862 37.862 38.042 -0.180 19531
1634 1 9 . 1 1 4 4 ASN H H 4 8.081 8.081 8.472 -0.391 19531
1635 1 9 . 1 1 5 5 LEU N N 5 121.330 121.330 120.244 1.086 19531
1636 1 9 . 1 1 5 5 LEU HA H 5 4.066 4.066 3.889 0.177 19531
1637 1 9 . 1 1 5 5 LEU C C 5 177.336 177.336 179.129 -1.793 19531
1638 1 9 . 1 1 5 5 LEU CA C 5 57.390 57.390 57.976 -0.586 19531
1639 1 9 . 1 1 5 5 LEU CB C 5 41.266 41.266 41.546 -0.280 19531
1640 1 9 . 1 1 5 5 LEU H H 5 8.267 8.267 7.954 0.313 19531
1641 1 9 . 1 1 6 6 GLU N N 6 116.966 116.966 117.989 -1.023 19531
1642 1 9 . 1 1 6 6 GLU HA H 6 3.745 3.745 4.087 -0.342 19531
1643 1 9 . 1 1 6 6 GLU C C 6 176.943 176.943 179.033 -2.090 19531
1644 1 9 . 1 1 6 6 GLU CA C 6 59.511 59.511 59.259 0.252 19531
1645 1 9 . 1 1 6 6 GLU CB C 6 27.497 27.497 28.836 -1.339 19531
1646 1 9 . 1 1 6 6 GLU H H 6 8.243 8.243 8.137 0.106 19531
1647 1 9 . 1 1 7 7 ILE N N 7 117.410 117.410 119.841 -2.431 19531
1648 1 9 . 1 1 7 7 ILE HA H 7 3.716 3.716 3.727 -0.011 19531
1649 1 9 . 1 1 7 7 ILE C C 7 176.932 176.932 178.024 -1.092 19531
1650 1 9 . 1 1 7 7 ILE CA C 7 64.027 64.027 64.632 -0.605 19531
1651 1 9 . 1 1 7 7 ILE CB C 7 36.758 36.758 37.459 -0.701 19531
1652 1 9 . 1 1 7 7 ILE H H 7 7.776 7.776 7.953 -0.177 19531
1653 1 9 . 1 1 8 8 ILE N N 8 120.195 120.195 121.173 -0.978 19531
1654 1 9 . 1 1 8 8 ILE HA H 8 3.873 3.873 3.722 0.151 19531
1655 1 9 . 1 1 8 8 ILE C C 8 177.565 177.565 177.963 -0.398 19531
1656 1 9 . 1 1 8 8 ILE CA C 8 64.395 64.395 65.922 -1.527 19531
1657 1 9 . 1 1 8 8 ILE CB C 8 36.982 36.982 38.181 -1.199 19531
1658 1 9 . 1 1 8 8 ILE H H 8 7.775 7.775 7.802 -0.027 19531
1659 1 9 . 1 1 9 9 ILE N N 9 119.224 119.224 119.525 -0.301 19531
1660 1 9 . 1 1 9 9 ILE HA H 9 3.769 3.769 3.723 0.046 19531
1661 1 9 . 1 1 9 9 ILE C C 9 178.886 178.886 177.348 1.538 19531
1662 1 9 . 1 1 9 9 ILE CA C 9 64.384 64.384 64.711 -0.327 19531
1663 1 9 . 1 1 9 9 ILE CB C 9 36.685 36.685 37.868 -1.183 19531
1664 1 9 . 1 1 9 9 ILE H H 9 8.251 8.251 7.692 0.559 19531
1665 1 9 . 1 1 10 10 LEU N N 10 123.325 123.325 120.240 3.085 19531
1666 1 9 . 1 1 10 10 LEU HA H 10 4.067 4.067 3.995 0.072 19531
1667 1 9 . 1 1 10 10 LEU C C 10 177.675 177.675 179.197 -1.522 19531
1668 1 9 . 1 1 10 10 LEU CA C 10 58.240 58.240 58.158 0.082 19531
1669 1 9 . 1 1 10 10 LEU CB C 10 41.314 41.314 41.783 -0.469 19531
1670 1 9 . 1 1 10 10 LEU H H 10 8.324 8.324 8.388 -0.064 19531
1671 1 9 . 1 1 11 11 GLU N N 11 117.683 117.683 118.730 -1.047 19531
1672 1 9 . 1 1 11 11 GLU HA H 11 3.873 3.873 3.985 -0.112 19531
1673 1 9 . 1 1 11 11 GLU C C 11 177.653 177.653 179.221 -1.568 19531
1674 1 9 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.840 -0.587 19531
1675 1 9 . 1 1 11 11 GLU CB C 11 27.731 27.731 29.165 -1.434 19531
1676 1 9 . 1 1 11 11 GLU H H 11 8.813 8.813 8.571 0.242 19531
1677 1 9 . 1 1 12 12 GLY N N 12 105.086 105.086 107.153 -2.067 19531
1678 1 9 . 1 1 12 12 GLY C C 12 174.335 174.335 175.847 -1.512 19531
1679 1 9 . 1 1 12 12 GLY CA C 12 46.866 46.866 46.955 -0.089 19531
1680 1 9 . 1 1 12 12 GLY H H 12 8.982 8.982 8.073 0.909 19531
1681 1 9 . 1 1 13 13 THR N N 13 117.460 117.460 119.341 -1.881 19531
1682 1 9 . 1 1 13 13 THR HA H 13 3.807 3.807 3.817 -0.010 19531
1683 1 9 . 1 1 13 13 THR C C 13 174.935 174.935 176.493 -1.558 19531
1684 1 9 . 1 1 13 13 THR CA C 13 67.282 67.282 66.595 0.687 19531
1685 1 9 . 1 1 13 13 THR CB C 13 68.420 68.420 68.615 -0.195 19531
1686 1 9 . 1 1 13 13 THR H H 13 8.390 8.390 7.577 0.813 19531
1687 1 9 . 1 1 14 14 ALA N N 14 123.171 123.171 124.963 -1.792 19531
1688 1 9 . 1 1 14 14 ALA HA H 14 3.934 3.934 4.099 -0.165 19531
1689 1 9 . 1 1 14 14 ALA C C 14 178.067 178.067 179.424 -1.357 19531
1690 1 9 . 1 1 14 14 ALA CA C 14 54.902 54.902 55.324 -0.422 19531
1691 1 9 . 1 1 14 14 ALA CB C 14 17.380 17.380 18.162 -0.782 19531
1692 1 9 . 1 1 14 14 ALA H H 14 8.038 8.038 8.145 -0.107 19531
1693 1 9 . 1 1 15 15 VAL N N 15 116.350 116.350 117.713 -1.363 19531
1694 1 9 . 1 1 15 15 VAL HA H 15 3.543 3.543 3.688 -0.145 19531
1695 1 9 . 1 1 15 15 VAL C C 15 176.683 176.683 177.999 -1.316 19531
1696 1 9 . 1 1 15 15 VAL CA C 15 66.397 66.397 65.523 0.874 19531
1697 1 9 . 1 1 15 15 VAL CB C 15 30.720 30.720 30.972 -0.252 19531
1698 1 9 . 1 1 15 15 VAL H H 15 7.806 7.806 7.512 0.294 19531
1699 1 9 . 1 1 16 16 ILE N N 16 119.033 119.033 121.358 -2.325 19531
1700 1 9 . 1 1 16 16 ILE HA H 16 3.578 3.578 3.333 0.245 19531
1701 1 9 . 1 1 16 16 ILE C C 16 176.725 176.725 177.118 -0.393 19531
1702 1 9 . 1 1 16 16 ILE CA C 16 64.497 64.497 65.305 -0.808 19531
1703 1 9 . 1 1 16 16 ILE CB C 16 36.631 36.631 37.210 -0.579 19531
1704 1 9 . 1 1 16 16 ILE H H 16 7.888 7.888 8.325 -0.437 19531
1705 1 9 . 1 1 17 17 ALA N N 17 121.070 121.070 121.876 -0.806 19531
1706 1 9 . 1 1 17 17 ALA HA H 17 3.755 3.755 4.050 -0.295 19531
1707 1 9 . 1 1 17 17 ALA C C 17 178.412 178.412 180.192 -1.780 19531
1708 1 9 . 1 1 17 17 ALA CA C 17 55.117 55.117 55.150 -0.033 19531
1709 1 9 . 1 1 17 17 ALA CB C 17 17.292 17.292 18.123 -0.831 19531
1710 1 9 . 1 1 17 17 ALA H H 17 8.339 8.339 8.030 0.309 19531
1711 1 9 . 1 1 18 18 MET N N 18 115.503 115.503 117.879 -2.376 19531
1712 1 9 . 1 1 18 18 MET HA H 18 4.197 4.197 4.140 0.057 19531
1713 1 9 . 1 1 18 18 MET C C 18 177.183 177.183 178.665 -1.482 19531
1714 1 9 . 1 1 18 18 MET CA C 18 58.472 58.472 59.461 -0.989 19531
1715 1 9 . 1 1 18 18 MET CB C 18 32.163 32.163 32.799 -0.636 19531
1716 1 9 . 1 1 18 18 MET H H 18 8.083 8.083 7.770 0.313 19531
1717 1 9 . 1 1 19 19 PHE N N 19 118.667 118.667 119.353 -0.686 19531
1718 1 9 . 1 1 19 19 PHE HA H 19 4.108 4.108 4.296 -0.188 19531
1719 1 9 . 1 1 19 19 PHE C C 19 176.162 176.162 178.187 -2.025 19531
1720 1 9 . 1 1 19 19 PHE CA C 19 60.891 60.891 60.858 0.033 19531
1721 1 9 . 1 1 19 19 PHE CB C 19 38.120 38.120 38.263 -0.143 19531
1722 1 9 . 1 1 19 19 PHE H H 19 8.360 8.360 8.143 0.217 19531
1723 1 9 . 1 1 20 20 PHE N N 20 118.069 118.069 117.645 0.424 19531
1724 1 9 . 1 1 20 20 PHE HA H 20 4.007 4.007 4.205 -0.198 19531
1725 1 9 . 1 1 20 20 PHE CA C 20 61.188 61.188 60.406 0.782 19531
1726 1 9 . 1 1 20 20 PHE CB C 20 38.062 38.062 38.109 -0.047 19531
1727 1 9 . 1 1 20 20 PHE H H 20 8.405 8.405 9.103 -0.698 19531
1728 1 9 . 1 1 21 21 TRP N N 21 119.005 119.005 120.763 -1.758 19531
1729 1 9 . 1 1 21 21 TRP HA H 21 4.331 4.331 4.365 -0.034 19531
1730 1 9 . 1 1 21 21 TRP H H 21 8.406 8.406 7.948 0.458 19531
1731 1 9 . 1 1 22 22 LEU N N 22 118.489 118.489 120.287 -1.798 19531
1732 1 9 . 1 1 22 22 LEU HA H 22 3.810 3.810 3.922 -0.112 19531
1733 1 9 . 1 1 22 22 LEU C C 22 177.893 177.893 179.007 -1.114 19531
1734 1 9 . 1 1 22 22 LEU CA C 22 57.546 57.546 58.251 -0.705 19531
1735 1 9 . 1 1 22 22 LEU CB C 22 40.825 40.825 41.760 -0.935 19531
1736 1 9 . 1 1 22 22 LEU H H 22 8.161 8.161 8.219 -0.058 19531
1737 1 9 . 1 1 23 23 LEU N N 23 118.413 118.413 119.148 -0.735 19531
1738 1 9 . 1 1 23 23 LEU HA H 23 3.799 3.799 3.847 -0.048 19531
1739 1 9 . 1 1 23 23 LEU C C 23 177.849 177.849 179.245 -1.396 19531
1740 1 9 . 1 1 23 23 LEU CA C 23 57.459 57.459 58.063 -0.604 19531
1741 1 9 . 1 1 23 23 LEU CB C 23 40.810 40.810 41.501 -0.691 19531
1742 1 9 . 1 1 23 23 LEU H H 23 8.125 8.125 8.456 -0.331 19531
1743 1 9 . 1 1 24 24 LEU N N 24 118.214 118.214 118.639 -0.425 19531
1744 1 9 . 1 1 24 24 LEU HA H 24 3.762 3.762 3.945 -0.183 19531
1745 1 9 . 1 1 24 24 LEU C C 24 178.031 178.031 178.494 -0.463 19531
1746 1 9 . 1 1 24 24 LEU CA C 24 57.671 57.671 58.259 -0.588 19531
1747 1 9 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.624 -0.921 19531
1748 1 9 . 1 1 24 24 LEU H H 24 8.136 8.136 8.046 0.090 19531
1749 1 9 . 1 1 25 25 VAL N N 25 118.045 118.045 119.265 -1.220 19531
1750 1 9 . 1 1 25 25 VAL HA H 25 3.480 3.480 3.517 -0.036 19531
1751 1 9 . 1 1 25 25 VAL C C 25 177.205 177.205 178.187 -0.982 19531
1752 1 9 . 1 1 25 25 VAL CA C 25 66.663 66.663 66.327 0.336 19531
1753 1 9 . 1 1 25 25 VAL CB C 25 30.678 30.678 31.194 -0.516 19531
1754 1 9 . 1 1 25 25 VAL H H 25 8.070 8.070 7.339 0.731 19531
1755 1 9 . 1 1 26 26 ILE N N 26 119.465 119.465 120.803 -1.338 19531
1756 1 9 . 1 1 26 26 ILE HA H 26 3.600 3.600 3.613 -0.013 19531
1757 1 9 . 1 1 26 26 ILE C C 26 178.973 178.973 178.412 0.561 19531
1758 1 9 . 1 1 26 26 ILE CA C 26 64.732 64.732 65.898 -1.167 19531
1759 1 9 . 1 1 26 26 ILE CB C 26 36.875 36.875 37.734 -0.859 19531
1760 1 9 . 1 1 26 26 ILE H H 26 8.236 8.236 8.077 0.159 19531
1761 1 9 . 1 1 27 27 ILE N N 27 123.026 123.026 120.500 2.526 19531
1762 1 9 . 1 1 27 27 ILE HA H 27 3.548 3.548 3.625 -0.077 19531
1763 1 9 . 1 1 27 27 ILE C C 27 177.205 177.205 177.787 -0.582 19531
1764 1 9 . 1 1 27 27 ILE CA C 27 65.539 65.539 65.871 -0.331 19531
1765 1 9 . 1 1 27 27 ILE CB C 27 36.861 36.861 37.908 -1.047 19531
1766 1 9 . 1 1 27 27 ILE H H 27 8.672 8.672 8.335 0.337 19531
1767 1 9 . 1 1 28 28 LEU N N 28 120.208 120.208 119.651 0.557 19531
1768 1 9 . 1 1 28 28 LEU HA H 28 3.967 3.967 3.873 0.094 19531
1769 1 9 . 1 1 28 28 LEU C C 28 178.275 178.275 178.945 -0.670 19531
1770 1 9 . 1 1 28 28 LEU CA C 28 57.711 57.711 58.065 -0.354 19531
1771 1 9 . 1 1 28 28 LEU CB C 28 40.858 40.858 41.411 -0.553 19531
1772 1 9 . 1 1 28 28 LEU H H 28 8.700 8.700 8.041 0.659 19531
1773 1 9 . 1 1 29 29 ARG N N 29 117.024 117.024 119.493 -2.469 19531
1774 1 9 . 1 1 29 29 ARG HA H 29 3.992 3.992 4.024 -0.032 19531
1775 1 9 . 1 1 29 29 ARG C C 29 177.555 177.555 178.589 -1.034 19531
1776 1 9 . 1 1 29 29 ARG CA C 29 58.169 58.169 59.700 -1.531 19531
1777 1 9 . 1 1 29 29 ARG CB C 29 29.514 29.514 30.202 -0.688 19531
1778 1 9 . 1 1 29 29 ARG H H 29 8.401 8.401 8.603 -0.202 19531
1779 1 9 . 1 1 30 30 THR N N 30 115.290 115.290 115.615 -0.325 19531
1780 1 9 . 1 1 30 30 THR HA H 30 3.989 3.989 4.091 -0.102 19531
1781 1 9 . 1 1 30 30 THR C C 30 175.667 175.667 176.140 -0.473 19531
1782 1 9 . 1 1 30 30 THR CA C 30 65.901 65.901 66.269 -0.368 19531
1783 1 9 . 1 1 30 30 THR CB C 30 68.152 68.152 68.898 -0.746 19531
1784 1 9 . 1 1 30 30 THR H H 30 7.920 7.920 8.197 -0.277 19531
1785 1 9 . 1 1 31 31 VAL N N 31 120.275 120.275 120.543 -0.268 19531
1786 1 9 . 1 1 31 31 VAL HA H 31 3.796 3.796 3.877 -0.081 19531
1787 1 9 . 1 1 31 31 VAL C C 31 176.518 176.518 177.069 -0.551 19531
1788 1 9 . 1 1 31 31 VAL CA C 31 64.691 64.691 65.244 -0.553 19531
1789 1 9 . 1 1 31 31 VAL CB C 31 31.135 31.135 31.876 -0.741 19531
1790 1 9 . 1 1 31 31 VAL H H 31 8.296 8.296 7.974 0.322 19531
1791 1 9 . 1 1 32 32 LYS N N 32 120.070 120.070 120.756 -0.686 19531
1792 1 9 . 1 1 32 32 LYS HA H 32 4.146 4.146 3.974 0.172 19531
1793 1 9 . 1 1 32 32 LYS C C 32 177.183 177.183 178.833 -1.650 19531
1794 1 9 . 1 1 32 32 LYS CA C 32 57.363 57.363 59.253 -1.890 19531
1795 1 9 . 1 1 32 32 LYS CB C 32 31.916 31.916 32.303 -0.387 19531
1796 1 9 . 1 1 32 32 LYS H H 32 8.028 8.028 8.126 -0.098 19531
1797 1 9 . 1 1 33 33 ARG N N 33 119.397 119.397 116.985 2.412 19531
1798 1 9 . 1 1 33 33 ARG HA H 33 4.225 4.225 4.316 -0.091 19531
1799 1 9 . 1 1 33 33 ARG C C 33 176.780 176.780 175.750 1.030 19531
1800 1 9 . 1 1 33 33 ARG CA C 33 56.612 56.612 56.267 0.345 19531
1801 1 9 . 1 1 33 33 ARG CB C 33 29.738 29.738 29.742 -0.004 19531
1802 1 9 . 1 1 33 33 ARG H H 33 7.862 7.862 7.602 0.260 19531
1803 1 9 . 1 1 34 34 ALA N N 34 123.007 123.007 120.256 2.751 19531
1804 1 9 . 1 1 34 34 ALA HA H 34 4.277 4.277 4.558 -0.281 19531
1805 1 9 . 1 1 34 34 ALA C C 34 177.085 177.085 176.576 0.509 19531
1806 1 9 . 1 1 34 34 ALA CA C 34 52.589 52.589 51.908 0.681 19531
1807 1 9 . 1 1 34 34 ALA CB C 34 18.354 18.354 20.397 -2.043 19531
1808 1 9 . 1 1 34 34 ALA H H 34 8.083 8.083 7.998 0.085 19531
1809 1 9 . 1 1 35 35 ASN N N 35 116.331 116.331 118.801 -2.470 19531
1810 1 9 . 1 1 35 35 ASN HA H 35 4.735 4.735 4.948 -0.213 19531
1811 1 9 . 1 1 35 35 ASN C C 35 174.979 174.979 174.803 0.176 19531
1812 1 9 . 1 1 35 35 ASN CA C 35 52.886 52.886 52.864 0.022 19531
1813 1 9 . 1 1 35 35 ASN CB C 35 38.827 38.827 41.436 -2.609 19531
1814 1 9 . 1 1 35 35 ASN H H 35 8.042 8.042 7.959 0.083 19531
1815 1 9 . 1 1 36 36 GLY N N 36 108.491 108.491 109.564 -1.073 19531
1816 1 9 . 1 1 36 36 GLY C C 36 173.211 173.211 173.908 -0.697 19531
1817 1 9 . 1 1 36 36 GLY CA C 36 44.953 44.953 45.163 -0.210 19531
1818 1 9 . 1 1 36 36 GLY H H 36 8.063 8.063 8.656 -0.593 19531
1819 1 10 . 1 1 2 2 LYS N N 2 121.638 121.638 120.467 1.171 19531
1820 1 10 . 1 1 2 2 LYS HA H 2 4.158 4.158 4.206 -0.048 19531
1821 1 10 . 1 1 2 2 LYS C C 2 176.441 176.441 178.207 -1.766 19531
1822 1 10 . 1 1 2 2 LYS CA C 2 57.601 57.601 58.058 -0.457 19531
1823 1 10 . 1 1 2 2 LYS CB C 2 32.121 32.121 32.366 -0.245 19531
1824 1 10 . 1 1 2 2 LYS H H 2 8.417 8.417 8.066 0.351 19531
1825 1 10 . 1 1 3 3 THR N N 3 114.230 114.230 115.611 -1.381 19531
1826 1 10 . 1 1 3 3 THR HA H 3 4.123 4.123 4.121 0.002 19531
1827 1 10 . 1 1 3 3 THR C C 3 174.346 174.346 176.232 -1.886 19531
1828 1 10 . 1 1 3 3 THR CA C 3 63.394 63.394 65.620 -2.226 19531
1829 1 10 . 1 1 3 3 THR CB C 3 68.478 68.478 68.192 0.286 19531
1830 1 10 . 1 1 3 3 THR H H 3 7.990 7.990 8.312 -0.322 19531
1831 1 10 . 1 1 4 4 ASN N N 4 120.011 120.011 118.923 1.088 19531
1832 1 10 . 1 1 4 4 ASN HA H 4 4.613 4.613 4.401 0.212 19531
1833 1 10 . 1 1 4 4 ASN C C 4 176.190 176.190 177.529 -1.339 19531
1834 1 10 . 1 1 4 4 ASN CA C 4 54.387 54.387 56.084 -1.697 19531
1835 1 10 . 1 1 4 4 ASN CB C 4 37.862 37.862 38.025 -0.163 19531
1836 1 10 . 1 1 4 4 ASN H H 4 8.081 8.081 8.328 -0.247 19531
1837 1 10 . 1 1 5 5 LEU N N 5 121.330 121.330 120.372 0.958 19531
1838 1 10 . 1 1 5 5 LEU HA H 5 4.066 4.066 3.889 0.177 19531
1839 1 10 . 1 1 5 5 LEU C C 5 177.336 177.336 179.082 -1.746 19531
1840 1 10 . 1 1 5 5 LEU CA C 5 57.390 57.390 58.070 -0.680 19531
1841 1 10 . 1 1 5 5 LEU CB C 5 41.266 41.266 41.660 -0.394 19531
1842 1 10 . 1 1 5 5 LEU H H 5 8.267 8.267 8.335 -0.068 19531
1843 1 10 . 1 1 6 6 GLU N N 6 116.966 116.966 118.085 -1.119 19531
1844 1 10 . 1 1 6 6 GLU HA H 6 3.745 3.745 4.081 -0.336 19531
1845 1 10 . 1 1 6 6 GLU C C 6 176.943 176.943 179.037 -2.094 19531
1846 1 10 . 1 1 6 6 GLU CA C 6 59.511 59.511 59.276 0.235 19531
1847 1 10 . 1 1 6 6 GLU CB C 6 27.497 27.497 28.851 -1.354 19531
1848 1 10 . 1 1 6 6 GLU H H 6 8.243 8.243 8.127 0.116 19531
1849 1 10 . 1 1 7 7 ILE N N 7 117.410 117.410 119.869 -2.459 19531
1850 1 10 . 1 1 7 7 ILE HA H 7 3.716 3.716 3.726 -0.010 19531
1851 1 10 . 1 1 7 7 ILE C C 7 176.932 176.932 177.994 -1.062 19531
1852 1 10 . 1 1 7 7 ILE CA C 7 64.027 64.027 64.680 -0.653 19531
1853 1 10 . 1 1 7 7 ILE CB C 7 36.758 36.758 37.475 -0.717 19531
1854 1 10 . 1 1 7 7 ILE H H 7 7.776 7.776 8.024 -0.248 19531
1855 1 10 . 1 1 8 8 ILE N N 8 120.195 120.195 121.065 -0.870 19531
1856 1 10 . 1 1 8 8 ILE HA H 8 3.873 3.873 3.724 0.149 19531
1857 1 10 . 1 1 8 8 ILE C C 8 177.565 177.565 177.938 -0.373 19531
1858 1 10 . 1 1 8 8 ILE CA C 8 64.395 64.395 65.786 -1.391 19531
1859 1 10 . 1 1 8 8 ILE CB C 8 36.982 36.982 38.095 -1.113 19531
1860 1 10 . 1 1 8 8 ILE H H 8 7.775 7.775 7.728 0.047 19531
1861 1 10 . 1 1 9 9 ILE N N 9 119.224 119.224 119.373 -0.149 19531
1862 1 10 . 1 1 9 9 ILE HA H 9 3.769 3.769 3.778 -0.009 19531
1863 1 10 . 1 1 9 9 ILE C C 9 178.886 178.886 177.975 0.911 19531
1864 1 10 . 1 1 9 9 ILE CA C 9 64.384 64.384 64.785 -0.401 19531
1865 1 10 . 1 1 9 9 ILE CB C 9 36.685 36.685 37.615 -0.930 19531
1866 1 10 . 1 1 9 9 ILE H H 9 8.251 8.251 7.679 0.572 19531
1867 1 10 . 1 1 10 10 LEU N N 10 123.325 123.325 120.911 2.414 19531
1868 1 10 . 1 1 10 10 LEU HA H 10 4.067 4.067 4.034 0.033 19531
1869 1 10 . 1 1 10 10 LEU C C 10 177.675 177.675 178.932 -1.257 19531
1870 1 10 . 1 1 10 10 LEU CA C 10 58.240 58.240 57.980 0.260 19531
1871 1 10 . 1 1 10 10 LEU CB C 10 41.314 41.314 41.780 -0.466 19531
1872 1 10 . 1 1 10 10 LEU H H 10 8.324 8.324 8.457 -0.133 19531
1873 1 10 . 1 1 11 11 GLU N N 11 117.683 117.683 118.835 -1.152 19531
1874 1 10 . 1 1 11 11 GLU HA H 11 3.873 3.873 3.984 -0.111 19531
1875 1 10 . 1 1 11 11 GLU C C 11 177.653 177.653 179.206 -1.553 19531
1876 1 10 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.897 -0.644 19531
1877 1 10 . 1 1 11 11 GLU CB C 11 27.731 27.731 29.180 -1.449 19531
1878 1 10 . 1 1 11 11 GLU H H 11 8.813 8.813 8.584 0.229 19531
1879 1 10 . 1 1 12 12 GLY N N 12 105.086 105.086 106.962 -1.876 19531
1880 1 10 . 1 1 12 12 GLY C C 12 174.335 174.335 176.000 -1.665 19531
1881 1 10 . 1 1 12 12 GLY CA C 12 46.866 46.866 47.061 -0.195 19531
1882 1 10 . 1 1 12 12 GLY H H 12 8.982 8.982 8.064 0.918 19531
1883 1 10 . 1 1 13 13 THR N N 13 117.460 117.460 119.396 -1.936 19531
1884 1 10 . 1 1 13 13 THR HA H 13 3.807 3.807 3.770 0.037 19531
1885 1 10 . 1 1 13 13 THR C C 13 174.935 174.935 176.479 -1.544 19531
1886 1 10 . 1 1 13 13 THR CA C 13 67.282 67.282 66.827 0.455 19531
1887 1 10 . 1 1 13 13 THR CB C 13 68.420 68.420 68.468 -0.048 19531
1888 1 10 . 1 1 13 13 THR H H 13 8.390 8.390 7.548 0.842 19531
1889 1 10 . 1 1 14 14 ALA N N 14 123.171 123.171 124.518 -1.347 19531
1890 1 10 . 1 1 14 14 ALA HA H 14 3.934 3.934 4.131 -0.197 19531
1891 1 10 . 1 1 14 14 ALA C C 14 178.067 178.067 179.251 -1.184 19531
1892 1 10 . 1 1 14 14 ALA CA C 14 54.902 54.902 55.212 -0.310 19531
1893 1 10 . 1 1 14 14 ALA CB C 14 17.380 17.380 18.107 -0.727 19531
1894 1 10 . 1 1 14 14 ALA H H 14 8.038 8.038 8.090 -0.052 19531
1895 1 10 . 1 1 15 15 VAL N N 15 116.350 116.350 117.744 -1.394 19531
1896 1 10 . 1 1 15 15 VAL HA H 15 3.543 3.543 3.680 -0.137 19531
1897 1 10 . 1 1 15 15 VAL C C 15 176.683 176.683 178.001 -1.318 19531
1898 1 10 . 1 1 15 15 VAL CA C 15 66.397 66.397 65.542 0.855 19531
1899 1 10 . 1 1 15 15 VAL CB C 15 30.720 30.720 30.949 -0.229 19531
1900 1 10 . 1 1 15 15 VAL H H 15 7.806 7.806 7.524 0.282 19531
1901 1 10 . 1 1 16 16 ILE N N 16 119.033 119.033 121.383 -2.350 19531
1902 1 10 . 1 1 16 16 ILE HA H 16 3.578 3.578 3.506 0.072 19531
1903 1 10 . 1 1 16 16 ILE C C 16 176.725 176.725 177.013 -0.288 19531
1904 1 10 . 1 1 16 16 ILE CA C 16 64.497 64.497 65.417 -0.920 19531
1905 1 10 . 1 1 16 16 ILE CB C 16 36.631 36.631 37.262 -0.631 19531
1906 1 10 . 1 1 16 16 ILE H H 16 7.888 7.888 8.305 -0.417 19531
1907 1 10 . 1 1 17 17 ALA N N 17 121.070 121.070 121.736 -0.666 19531
1908 1 10 . 1 1 17 17 ALA HA H 17 3.755 3.755 3.529 0.226 19531
1909 1 10 . 1 1 17 17 ALA C C 17 178.412 178.412 179.782 -1.370 19531
1910 1 10 . 1 1 17 17 ALA CA C 17 55.117 55.117 54.894 0.223 19531
1911 1 10 . 1 1 17 17 ALA CB C 17 17.292 17.292 17.982 -0.690 19531
1912 1 10 . 1 1 17 17 ALA H H 17 8.339 8.339 7.874 0.465 19531
1913 1 10 . 1 1 18 18 MET N N 18 115.503 115.503 117.873 -2.370 19531
1914 1 10 . 1 1 18 18 MET HA H 18 4.197 4.197 4.301 -0.104 19531
1915 1 10 . 1 1 18 18 MET C C 18 177.183 177.183 178.526 -1.343 19531
1916 1 10 . 1 1 18 18 MET CA C 18 58.472 58.472 59.614 -1.142 19531
1917 1 10 . 1 1 18 18 MET CB C 18 32.163 32.163 32.893 -0.730 19531
1918 1 10 . 1 1 18 18 MET H H 18 8.083 8.083 7.741 0.342 19531
1919 1 10 . 1 1 19 19 PHE N N 19 118.667 118.667 118.793 -0.126 19531
1920 1 10 . 1 1 19 19 PHE HA H 19 4.108 4.108 4.283 -0.175 19531
1921 1 10 . 1 1 19 19 PHE C C 19 176.162 176.162 178.442 -2.280 19531
1922 1 10 . 1 1 19 19 PHE CA C 19 60.891 60.891 60.288 0.603 19531
1923 1 10 . 1 1 19 19 PHE CB C 19 38.120 38.120 38.128 -0.008 19531
1924 1 10 . 1 1 19 19 PHE H H 19 8.360 8.360 8.148 0.212 19531
1925 1 10 . 1 1 20 20 PHE N N 20 118.069 118.069 118.813 -0.744 19531
1926 1 10 . 1 1 20 20 PHE HA H 20 4.007 4.007 4.236 -0.229 19531
1927 1 10 . 1 1 20 20 PHE CA C 20 61.188 61.188 61.364 -0.176 19531
1928 1 10 . 1 1 20 20 PHE CB C 20 38.062 38.062 37.837 0.225 19531
1929 1 10 . 1 1 20 20 PHE H H 20 8.405 8.405 8.749 -0.344 19531
1930 1 10 . 1 1 21 21 TRP N N 21 119.005 119.005 120.216 -1.211 19531
1931 1 10 . 1 1 21 21 TRP HA H 21 4.331 4.331 4.425 -0.094 19531
1932 1 10 . 1 1 21 21 TRP H H 21 8.406 8.406 7.770 0.636 19531
1933 1 10 . 1 1 22 22 LEU N N 22 118.489 118.489 120.212 -1.723 19531
1934 1 10 . 1 1 22 22 LEU HA H 22 3.810 3.810 3.941 -0.131 19531
1935 1 10 . 1 1 22 22 LEU C C 22 177.893 177.893 178.929 -1.036 19531
1936 1 10 . 1 1 22 22 LEU CA C 22 57.546 57.546 58.245 -0.699 19531
1937 1 10 . 1 1 22 22 LEU CB C 22 40.825 40.825 42.057 -1.232 19531
1938 1 10 . 1 1 22 22 LEU H H 22 8.161 8.161 8.890 -0.729 19531
1939 1 10 . 1 1 23 23 LEU N N 23 118.413 118.413 118.190 0.223 19531
1940 1 10 . 1 1 23 23 LEU HA H 23 3.799 3.799 4.006 -0.207 19531
1941 1 10 . 1 1 23 23 LEU C C 23 177.849 177.849 178.343 -0.494 19531
1942 1 10 . 1 1 23 23 LEU CA C 23 57.459 57.459 58.095 -0.636 19531
1943 1 10 . 1 1 23 23 LEU CB C 23 40.810 40.810 41.020 -0.210 19531
1944 1 10 . 1 1 23 23 LEU H H 23 8.125 8.125 7.944 0.181 19531
1945 1 10 . 1 1 24 24 LEU N N 24 118.214 118.214 120.044 -1.830 19531
1946 1 10 . 1 1 24 24 LEU HA H 24 3.762 3.762 4.015 -0.253 19531
1947 1 10 . 1 1 24 24 LEU C C 24 178.031 178.031 178.703 -0.672 19531
1948 1 10 . 1 1 24 24 LEU CA C 24 57.671 57.671 58.075 -0.404 19531
1949 1 10 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.946 -1.243 19531
1950 1 10 . 1 1 24 24 LEU H H 24 8.136 8.136 7.793 0.343 19531
1951 1 10 . 1 1 25 25 VAL N N 25 118.045 118.045 118.956 -0.911 19531
1952 1 10 . 1 1 25 25 VAL HA H 25 3.480 3.480 3.770 -0.290 19531
1953 1 10 . 1 1 25 25 VAL C C 25 177.205 177.205 178.146 -0.941 19531
1954 1 10 . 1 1 25 25 VAL CA C 25 66.663 66.663 66.338 0.325 19531
1955 1 10 . 1 1 25 25 VAL CB C 25 30.678 30.678 31.376 -0.698 19531
1956 1 10 . 1 1 25 25 VAL H H 25 8.070 8.070 7.722 0.348 19531
1957 1 10 . 1 1 26 26 ILE N N 26 119.465 119.465 121.604 -2.139 19531
1958 1 10 . 1 1 26 26 ILE HA H 26 3.600 3.600 3.642 -0.042 19531
1959 1 10 . 1 1 26 26 ILE C C 26 178.973 178.973 178.061 0.912 19531
1960 1 10 . 1 1 26 26 ILE CA C 26 64.732 64.732 65.920 -1.188 19531
1961 1 10 . 1 1 26 26 ILE CB C 26 36.875 36.875 37.940 -1.065 19531
1962 1 10 . 1 1 26 26 ILE H H 26 8.236 8.236 7.705 0.531 19531
1963 1 10 . 1 1 27 27 ILE N N 27 123.026 123.026 120.285 2.741 19531
1964 1 10 . 1 1 27 27 ILE HA H 27 3.548 3.548 3.684 -0.136 19531
1965 1 10 . 1 1 27 27 ILE C C 27 177.205 177.205 177.983 -0.778 19531
1966 1 10 . 1 1 27 27 ILE CA C 27 65.539 65.539 65.764 -0.225 19531
1967 1 10 . 1 1 27 27 ILE CB C 27 36.861 36.861 37.934 -1.073 19531
1968 1 10 . 1 1 27 27 ILE H H 27 8.672 8.672 8.170 0.502 19531
1969 1 10 . 1 1 28 28 LEU N N 28 120.208 120.208 119.636 0.572 19531
1970 1 10 . 1 1 28 28 LEU HA H 28 3.967 3.967 3.971 -0.004 19531
1971 1 10 . 1 1 28 28 LEU C C 28 178.275 178.275 178.800 -0.525 19531
1972 1 10 . 1 1 28 28 LEU CA C 28 57.711 57.711 58.055 -0.344 19531
1973 1 10 . 1 1 28 28 LEU CB C 28 40.858 40.858 41.462 -0.604 19531
1974 1 10 . 1 1 28 28 LEU H H 28 8.700 8.700 7.977 0.723 19531
1975 1 10 . 1 1 29 29 ARG N N 29 117.024 117.024 119.611 -2.587 19531
1976 1 10 . 1 1 29 29 ARG HA H 29 3.992 3.992 4.038 -0.046 19531
1977 1 10 . 1 1 29 29 ARG C C 29 177.555 177.555 178.475 -0.920 19531
1978 1 10 . 1 1 29 29 ARG CA C 29 58.169 58.169 59.825 -1.657 19531
1979 1 10 . 1 1 29 29 ARG CB C 29 29.514 29.514 30.260 -0.746 19531
1980 1 10 . 1 1 29 29 ARG H H 29 8.401 8.401 8.519 -0.118 19531
1981 1 10 . 1 1 30 30 THR N N 30 115.290 115.290 115.477 -0.187 19531
1982 1 10 . 1 1 30 30 THR HA H 30 3.989 3.989 4.042 -0.053 19531
1983 1 10 . 1 1 30 30 THR C C 30 175.667 175.667 176.300 -0.633 19531
1984 1 10 . 1 1 30 30 THR CA C 30 65.901 65.901 66.628 -0.727 19531
1985 1 10 . 1 1 30 30 THR CB C 30 68.152 68.152 68.773 -0.621 19531
1986 1 10 . 1 1 30 30 THR H H 30 7.920 7.920 8.252 -0.332 19531
1987 1 10 . 1 1 31 31 VAL N N 31 120.275 120.275 120.100 0.175 19531
1988 1 10 . 1 1 31 31 VAL HA H 31 3.796 3.796 3.760 0.036 19531
1989 1 10 . 1 1 31 31 VAL C C 31 176.518 176.518 177.455 -0.937 19531
1990 1 10 . 1 1 31 31 VAL CA C 31 64.691 64.691 65.803 -1.112 19531
1991 1 10 . 1 1 31 31 VAL CB C 31 31.135 31.135 31.672 -0.537 19531
1992 1 10 . 1 1 31 31 VAL H H 31 8.296 8.296 7.813 0.483 19531
1993 1 10 . 1 1 32 32 LYS N N 32 120.070 120.070 120.386 -0.316 19531
1994 1 10 . 1 1 32 32 LYS HA H 32 4.146 4.146 4.004 0.142 19531
1995 1 10 . 1 1 32 32 LYS C C 32 177.183 177.183 179.007 -1.824 19531
1996 1 10 . 1 1 32 32 LYS CA C 32 57.363 57.363 58.572 -1.208 19531
1997 1 10 . 1 1 32 32 LYS CB C 32 31.916 31.916 32.209 -0.293 19531
1998 1 10 . 1 1 32 32 LYS H H 32 8.028 8.028 7.850 0.178 19531
1999 1 10 . 1 1 33 33 ARG N N 33 119.397 119.397 116.869 2.528 19531
2000 1 10 . 1 1 33 33 ARG HA H 33 4.225 4.225 4.362 -0.137 19531
2001 1 10 . 1 1 33 33 ARG C C 33 176.780 176.780 175.851 0.929 19531
2002 1 10 . 1 1 33 33 ARG CA C 33 56.612 56.612 55.582 1.030 19531
2003 1 10 . 1 1 33 33 ARG CB C 33 29.738 29.738 29.017 0.721 19531
2004 1 10 . 1 1 33 33 ARG H H 33 7.862 7.862 7.767 0.095 19531
2005 1 10 . 1 1 34 34 ALA N N 34 123.007 123.007 121.125 1.882 19531
2006 1 10 . 1 1 34 34 ALA HA H 34 4.277 4.277 4.497 -0.220 19531
2007 1 10 . 1 1 34 34 ALA C C 34 177.085 177.085 176.770 0.315 19531
2008 1 10 . 1 1 34 34 ALA CA C 34 52.589 52.589 51.832 0.757 19531
2009 1 10 . 1 1 34 34 ALA CB C 34 18.354 18.354 20.492 -2.138 19531
2010 1 10 . 1 1 34 34 ALA H H 34 8.083 8.083 7.867 0.216 19531
2011 1 10 . 1 1 35 35 ASN N N 35 116.331 116.331 119.068 -2.737 19531
2012 1 10 . 1 1 35 35 ASN HA H 35 4.735 4.735 4.733 0.002 19531
2013 1 10 . 1 1 35 35 ASN C C 35 174.979 174.979 176.582 -1.603 19531
2014 1 10 . 1 1 35 35 ASN CA C 35 52.886 52.886 53.405 -0.519 19531
2015 1 10 . 1 1 35 35 ASN CB C 35 38.827 38.827 39.051 -0.224 19531
2016 1 10 . 1 1 35 35 ASN H H 35 8.042 8.042 7.698 0.344 19531
2017 1 10 . 1 1 36 36 GLY N N 36 108.491 108.491 112.307 -3.816 19531
2018 1 10 . 1 1 36 36 GLY C C 36 173.211 173.211 174.467 -1.256 19531
2019 1 10 . 1 1 36 36 GLY CA C 36 44.953 44.953 44.744 0.209 19531
2020 1 10 . 1 1 36 36 GLY H H 36 8.063 8.063 8.718 -0.655 19531
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 35 1.518 0.514 1.450 19531
2 1 1 "Average Difference" HA 37 0.164 0.033 0.163 19531
3 1 1 "Average Difference" C 33 1.242 0.949 0.814 19531
4 1 1 "Average Difference" CA 34 0.928 0.475 0.809 19531
5 1 1 "Average Difference" CB 32 0.826 0.594 0.583 19531
6 1 1 "Average Difference" HN 35 0.415 -0.190 0.374 19531
7 1 2 "Average Difference" N 35 1.828 0.787 1.674 19531
8 1 2 "Average Difference" HA 37 0.162 0.032 0.161 19531
9 1 2 "Average Difference" C 33 1.332 1.039 0.846 19531
10 1 2 "Average Difference" CA 34 1.025 0.538 0.885 19531
11 1 2 "Average Difference" CB 32 0.962 0.692 0.678 19531
12 1 2 "Average Difference" HN 35 0.343 -0.070 0.341 19531
13 1 3 "Average Difference" N 35 1.721 0.690 1.599 19531
14 1 3 "Average Difference" HA 37 0.141 0.057 0.131 19531
15 1 3 "Average Difference" C 33 1.267 0.958 0.842 19531
16 1 3 "Average Difference" CA 34 0.956 0.526 0.810 19531
17 1 3 "Average Difference" CB 32 0.875 0.647 0.598 19531
18 1 3 "Average Difference" HN 35 0.330 -0.113 0.315 19531
19 1 4 "Average Difference" N 35 1.647 0.655 1.533 19531
20 1 4 "Average Difference" HA 37 0.159 0.022 0.160 19531
21 1 4 "Average Difference" C 33 1.253 0.961 0.818 19531
22 1 4 "Average Difference" CA 34 0.912 0.495 0.777 19531
23 1 4 "Average Difference" CB 32 0.881 0.651 0.604 19531
24 1 4 "Average Difference" HN 35 0.390 -0.118 0.378 19531
25 1 5 "Average Difference" N 35 1.741 0.585 1.664 19531
26 1 5 "Average Difference" HA 37 0.152 0.038 0.149 19531
27 1 5 "Average Difference" C 33 1.258 0.936 0.854 19531
28 1 5 "Average Difference" CA 34 0.966 0.492 0.843 19531
29 1 5 "Average Difference" CB 32 0.864 0.668 0.556 19531
30 1 5 "Average Difference" HN 35 0.392 -0.123 0.377 19531
31 1 6 "Average Difference" N 35 1.862 0.669 1.763 19531
32 1 6 "Average Difference" HA 37 0.174 0.081 0.156 19531
33 1 6 "Average Difference" C 33 1.204 0.921 0.788 19531
34 1 6 "Average Difference" CA 34 0.865 0.453 0.748 19531
35 1 6 "Average Difference" CB 32 0.882 0.694 0.553 19531
36 1 6 "Average Difference" HN 35 0.402 -0.145 0.381 19531
37 1 7 "Average Difference" N 35 1.749 0.730 1.612 19531
38 1 7 "Average Difference" HA 37 0.162 0.028 0.162 19531
39 1 7 "Average Difference" C 33 1.307 1.029 0.818 19531
40 1 7 "Average Difference" CA 34 0.927 0.514 0.783 19531
41 1 7 "Average Difference" CB 32 0.887 0.700 0.554 19531
42 1 7 "Average Difference" HN 35 0.396 -0.093 0.391 19531
43 1 8 "Average Difference" N 35 1.496 0.528 1.421 19531
44 1 8 "Average Difference" HA 37 0.162 0.017 0.164 19531
45 1 8 "Average Difference" C 33 1.302 0.989 0.861 19531
46 1 8 "Average Difference" CA 34 0.890 0.550 0.711 19531
47 1 8 "Average Difference" CB 32 0.876 0.652 0.594 19531
48 1 8 "Average Difference" HN 35 0.382 -0.162 0.351 19531
49 1 9 "Average Difference" N 35 1.650 0.550 1.579 19531
50 1 9 "Average Difference" HA 37 0.150 0.052 0.142 19531
51 1 9 "Average Difference" C 33 1.303 0.944 0.911 19531
52 1 9 "Average Difference" CA 34 0.882 0.442 0.774 19531
53 1 9 "Average Difference" CB 32 0.919 0.724 0.575 19531
54 1 9 "Average Difference" HN 35 0.391 -0.108 0.381 19531
55 1 10 "Average Difference" N 35 1.721 0.676 1.606 19531
56 1 10 "Average Difference" HA 37 0.157 0.037 0.155 19531
57 1 10 "Average Difference" C 33 1.281 0.988 0.828 19531
58 1 10 "Average Difference" CA 34 0.873 0.431 0.770 19531
59 1 10 "Average Difference" CB 32 0.826 0.605 0.572 19531
60 1 10 "Average Difference" HN 35 0.425 -0.151 0.403 19531
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 19531
_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 N N 2 121.638 121.638 120.587 1.052 19531
2 1 . 1 1 2 2 LYS HA H 2 4.158 4.158 4.260 -0.102 19531
3 1 . 1 1 2 2 LYS C C 2 176.441 176.441 178.323 -1.882 19531
4 1 . 1 1 2 2 LYS CA C 2 57.601 57.601 58.153 -0.552 19531
5 1 . 1 1 2 2 LYS CB C 2 32.121 32.121 32.258 -0.137 19531
6 1 . 1 1 2 2 LYS H H 2 8.417 8.417 8.219 0.198 19531
7 1 . 1 1 3 3 THR N N 3 114.230 114.230 115.331 -1.101 19531
8 1 . 1 1 3 3 THR HA H 3 4.123 4.123 4.102 0.021 19531
9 1 . 1 1 3 3 THR C C 3 174.346 174.346 176.227 -1.881 19531
10 1 . 1 1 3 3 THR CA C 3 63.394 63.394 65.726 -2.332 19531
11 1 . 1 1 3 3 THR CB C 3 68.478 68.478 68.364 0.114 19531
12 1 . 1 1 3 3 THR H H 3 7.990 7.990 8.238 -0.248 19531
13 1 . 1 1 4 4 ASN N N 4 120.011 120.011 119.109 0.902 19531
14 1 . 1 1 4 4 ASN HA H 4 4.613 4.613 4.399 0.214 19531
15 1 . 1 1 4 4 ASN C C 4 176.190 176.190 177.337 -1.147 19531
16 1 . 1 1 4 4 ASN CA C 4 54.387 54.387 56.070 -1.683 19531
17 1 . 1 1 4 4 ASN CB C 4 37.862 37.862 37.843 0.018 19531
18 1 . 1 1 4 4 ASN H H 4 8.081 8.081 8.323 -0.242 19531
19 1 . 1 1 5 5 LEU N N 5 121.330 121.330 120.386 0.945 19531
20 1 . 1 1 5 5 LEU HA H 5 4.066 4.066 3.882 0.184 19531
21 1 . 1 1 5 5 LEU C C 5 177.336 177.336 179.115 -1.779 19531
22 1 . 1 1 5 5 LEU CA C 5 57.390 57.390 58.085 -0.694 19531
23 1 . 1 1 5 5 LEU CB C 5 41.266 41.266 41.617 -0.351 19531
24 1 . 1 1 5 5 LEU H H 5 8.267 8.267 8.176 0.091 19531
25 1 . 1 1 6 6 GLU N N 6 116.966 116.966 118.093 -1.127 19531
26 1 . 1 1 6 6 GLU HA H 6 3.745 3.745 4.090 -0.345 19531
27 1 . 1 1 6 6 GLU C C 6 176.943 176.943 179.049 -2.106 19531
28 1 . 1 1 6 6 GLU CA C 6 59.511 59.511 59.249 0.262 19531
29 1 . 1 1 6 6 GLU CB C 6 27.497 27.497 28.840 -1.343 19531
30 1 . 1 1 6 6 GLU H H 6 8.243 8.243 8.143 0.099 19531
31 1 . 1 1 7 7 ILE N N 7 117.410 117.410 119.878 -2.468 19531
32 1 . 1 1 7 7 ILE HA H 7 3.716 3.716 3.728 -0.012 19531
33 1 . 1 1 7 7 ILE C C 7 176.932 176.932 178.021 -1.089 19531
34 1 . 1 1 7 7 ILE CA C 7 64.027 64.027 64.680 -0.652 19531
35 1 . 1 1 7 7 ILE CB C 7 36.758 36.758 37.477 -0.719 19531
36 1 . 1 1 7 7 ILE H H 7 7.776 7.776 7.955 -0.179 19531
37 1 . 1 1 8 8 ILE N N 8 120.195 120.195 121.002 -0.807 19531
38 1 . 1 1 8 8 ILE HA H 8 3.873 3.873 3.720 0.153 19531
39 1 . 1 1 8 8 ILE C C 8 177.565 177.565 177.955 -0.390 19531
40 1 . 1 1 8 8 ILE CA C 8 64.395 64.395 65.814 -1.419 19531
41 1 . 1 1 8 8 ILE CB C 8 36.982 36.982 38.104 -1.122 19531
42 1 . 1 1 8 8 ILE H H 8 7.775 7.775 7.790 -0.015 19531
43 1 . 1 1 9 9 ILE N N 9 119.224 119.224 119.539 -0.315 19531
44 1 . 1 1 9 9 ILE HA H 9 3.769 3.769 3.765 0.004 19531
45 1 . 1 1 9 9 ILE C C 9 178.886 178.886 177.838 1.048 19531
46 1 . 1 1 9 9 ILE CA C 9 64.384 64.384 64.807 -0.423 19531
47 1 . 1 1 9 9 ILE CB C 9 36.685 36.685 37.783 -1.098 19531
48 1 . 1 1 9 9 ILE H H 9 8.251 8.251 7.693 0.558 19531
49 1 . 1 1 10 10 LEU N N 10 123.325 123.325 120.610 2.715 19531
50 1 . 1 1 10 10 LEU HA H 10 4.067 4.067 4.026 0.041 19531
51 1 . 1 1 10 10 LEU C C 10 177.675 177.675 179.031 -1.356 19531
52 1 . 1 1 10 10 LEU CA C 10 58.240 58.240 58.010 0.230 19531
53 1 . 1 1 10 10 LEU CB C 10 41.314 41.314 41.771 -0.457 19531
54 1 . 1 1 10 10 LEU H H 10 8.324 8.324 8.456 -0.132 19531
55 1 . 1 1 11 11 GLU N N 11 117.683 117.683 119.008 -1.325 19531
56 1 . 1 1 11 11 GLU HA H 11 3.873 3.873 3.994 -0.121 19531
57 1 . 1 1 11 11 GLU C C 11 177.653 177.653 179.221 -1.568 19531
58 1 . 1 1 11 11 GLU CA C 11 59.253 59.253 59.897 -0.644 19531
59 1 . 1 1 11 11 GLU CB C 11 27.731 27.731 29.205 -1.474 19531
60 1 . 1 1 11 11 GLU H H 11 8.813 8.813 8.594 0.219 19531
61 1 . 1 1 12 12 GLY N N 12 105.086 105.086 107.035 -1.949 19531
62 1 . 1 1 12 12 GLY C C 12 174.335 174.335 176.002 -1.667 19531
63 1 . 1 1 12 12 GLY CA C 12 46.866 46.866 47.056 -0.190 19531
64 1 . 1 1 12 12 GLY H H 12 8.982 8.982 8.090 0.892 19531
65 1 . 1 1 13 13 THR N N 13 117.460 117.460 119.389 -1.929 19531
66 1 . 1 1 13 13 THR HA H 13 3.807 3.807 3.823 -0.016 19531
67 1 . 1 1 13 13 THR C C 13 174.935 174.935 176.483 -1.548 19531
68 1 . 1 1 13 13 THR CA C 13 67.282 67.282 66.607 0.675 19531
69 1 . 1 1 13 13 THR CB C 13 68.420 68.420 68.495 -0.076 19531
70 1 . 1 1 13 13 THR H H 13 8.390 8.390 7.610 0.780 19531
71 1 . 1 1 14 14 ALA N N 14 123.171 123.171 124.591 -1.420 19531
72 1 . 1 1 14 14 ALA HA H 14 3.934 3.934 4.099 -0.165 19531
73 1 . 1 1 14 14 ALA C C 14 178.067 178.067 179.339 -1.272 19531
74 1 . 1 1 14 14 ALA CA C 14 54.902 54.902 55.252 -0.350 19531
75 1 . 1 1 14 14 ALA CB C 14 17.380 17.380 18.158 -0.778 19531
76 1 . 1 1 14 14 ALA H H 14 8.038 8.038 8.155 -0.117 19531
77 1 . 1 1 15 15 VAL N N 15 116.350 116.350 117.681 -1.331 19531
78 1 . 1 1 15 15 VAL HA H 15 3.543 3.543 3.716 -0.173 19531
79 1 . 1 1 15 15 VAL C C 15 176.683 176.683 178.184 -1.501 19531
80 1 . 1 1 15 15 VAL CA C 15 66.397 66.397 65.857 0.540 19531
81 1 . 1 1 15 15 VAL CB C 15 30.720 30.720 31.134 -0.414 19531
82 1 . 1 1 15 15 VAL H H 15 7.806 7.806 7.562 0.244 19531
83 1 . 1 1 16 16 ILE N N 16 119.033 119.033 121.465 -2.432 19531
84 1 . 1 1 16 16 ILE HA H 16 3.578 3.578 3.537 0.041 19531
85 1 . 1 1 16 16 ILE C C 16 176.725 176.725 177.179 -0.454 19531
86 1 . 1 1 16 16 ILE CA C 16 64.497 64.497 65.332 -0.835 19531
87 1 . 1 1 16 16 ILE CB C 16 36.631 36.631 37.414 -0.783 19531
88 1 . 1 1 16 16 ILE H H 16 7.888 7.888 8.353 -0.465 19531
89 1 . 1 1 17 17 ALA N N 17 121.070 121.070 121.920 -0.850 19531
90 1 . 1 1 17 17 ALA HA H 17 3.755 3.755 3.756 -0.001 19531
91 1 . 1 1 17 17 ALA C C 17 178.412 178.412 179.767 -1.355 19531
92 1 . 1 1 17 17 ALA CA C 17 55.117 55.117 55.007 0.110 19531
93 1 . 1 1 17 17 ALA CB C 17 17.292 17.292 17.927 -0.635 19531
94 1 . 1 1 17 17 ALA H H 17 8.339 8.339 8.012 0.327 19531
95 1 . 1 1 18 18 MET N N 18 115.503 115.503 117.988 -2.485 19531
96 1 . 1 1 18 18 MET HA H 18 4.197 4.197 4.089 0.108 19531
97 1 . 1 1 18 18 MET C C 18 177.183 177.183 178.405 -1.222 19531
98 1 . 1 1 18 18 MET CA C 18 58.472 58.472 59.523 -1.051 19531
99 1 . 1 1 18 18 MET CB C 18 32.163 32.163 32.738 -0.575 19531
100 1 . 1 1 18 18 MET H H 18 8.083 8.083 7.720 0.363 19531
101 1 . 1 1 19 19 PHE N N 19 118.667 118.667 119.412 -0.745 19531
102 1 . 1 1 19 19 PHE HA H 19 4.108 4.108 4.202 -0.094 19531
103 1 . 1 1 19 19 PHE C C 19 176.162 176.162 178.082 -1.920 19531
104 1 . 1 1 19 19 PHE CA C 19 60.891 60.891 61.413 -0.522 19531
105 1 . 1 1 19 19 PHE CB C 19 38.120 38.120 38.729 -0.609 19531
106 1 . 1 1 19 19 PHE H H 19 8.360 8.360 8.030 0.330 19531
107 1 . 1 1 20 20 PHE N N 20 118.069 118.069 118.923 -0.854 19531
108 1 . 1 1 20 20 PHE HA H 20 4.007 4.007 4.256 -0.249 19531
109 1 . 1 1 20 20 PHE CA C 20 61.188 61.188 61.088 0.100 19531
110 1 . 1 1 20 20 PHE CB C 20 38.062 38.062 38.341 -0.279 19531
111 1 . 1 1 20 20 PHE H H 20 8.405 8.405 8.751 -0.346 19531
112 1 . 1 1 21 21 TRP N N 21 119.005 119.005 120.298 -1.293 19531
113 1 . 1 1 21 21 TRP HA H 21 4.331 4.331 4.429 -0.098 19531
114 1 . 1 1 21 21 TRP H H 21 8.406 8.406 8.270 0.136 19531
115 1 . 1 1 22 22 LEU N N 22 118.489 118.489 120.282 -1.793 19531
116 1 . 1 1 22 22 LEU HA H 22 3.810 3.810 3.959 -0.150 19531
117 1 . 1 1 22 22 LEU C C 22 177.893 177.893 178.959 -1.066 19531
118 1 . 1 1 22 22 LEU CA C 22 57.546 57.546 58.109 -0.563 19531
119 1 . 1 1 22 22 LEU CB C 22 40.825 40.825 41.592 -0.767 19531
120 1 . 1 1 22 22 LEU H H 22 8.161 8.161 8.479 -0.318 19531
121 1 . 1 1 23 23 LEU N N 23 118.413 118.413 119.275 -0.862 19531
122 1 . 1 1 23 23 LEU HA H 23 3.799 3.799 3.882 -0.083 19531
123 1 . 1 1 23 23 LEU C C 23 177.849 177.849 178.865 -1.016 19531
124 1 . 1 1 23 23 LEU CA C 23 57.459 57.459 58.101 -0.642 19531
125 1 . 1 1 23 23 LEU CB C 23 40.810 40.810 41.463 -0.653 19531
126 1 . 1 1 23 23 LEU H H 23 8.125 8.125 8.152 -0.028 19531
127 1 . 1 1 24 24 LEU N N 24 118.214 118.214 119.325 -1.111 19531
128 1 . 1 1 24 24 LEU HA H 24 3.762 3.762 3.982 -0.220 19531
129 1 . 1 1 24 24 LEU C C 24 178.031 178.031 178.784 -0.753 19531
130 1 . 1 1 24 24 LEU CA C 24 57.671 57.671 58.184 -0.513 19531
131 1 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.532 -0.829 19531
132 1 . 1 1 24 24 LEU H H 24 8.136 8.136 7.909 0.227 19531
133 1 . 1 1 25 25 VAL N N 25 118.045 118.045 119.489 -1.444 19531
134 1 . 1 1 25 25 VAL HA H 25 3.480 3.480 3.578 -0.098 19531
135 1 . 1 1 25 25 VAL C C 25 177.205 177.205 178.124 -0.919 19531
136 1 . 1 1 25 25 VAL CA C 25 66.663 66.663 66.761 -0.098 19531
137 1 . 1 1 25 25 VAL CB C 25 30.678 30.678 31.416 -0.738 19531
138 1 . 1 1 25 25 VAL H H 25 8.070 8.070 7.695 0.375 19531
139 1 . 1 1 26 26 ILE N N 26 119.465 119.465 120.832 -1.367 19531
140 1 . 1 1 26 26 ILE HA H 26 3.600 3.600 3.642 -0.042 19531
141 1 . 1 1 26 26 ILE C C 26 178.973 178.973 178.102 0.871 19531
142 1 . 1 1 26 26 ILE CA C 26 64.732 64.732 65.651 -0.919 19531
143 1 . 1 1 26 26 ILE CB C 26 36.875 36.875 37.877 -1.001 19531
144 1 . 1 1 26 26 ILE H H 26 8.236 8.236 7.788 0.448 19531
145 1 . 1 1 27 27 ILE N N 27 123.026 123.026 120.533 2.493 19531
146 1 . 1 1 27 27 ILE HA H 27 3.548 3.548 3.645 -0.097 19531
147 1 . 1 1 27 27 ILE C C 27 177.205 177.205 177.920 -0.715 19531
148 1 . 1 1 27 27 ILE CA C 27 65.539 65.539 65.752 -0.213 19531
149 1 . 1 1 27 27 ILE CB C 27 36.861 36.861 37.844 -0.983 19531
150 1 . 1 1 27 27 ILE H H 27 8.672 8.672 8.176 0.496 19531
151 1 . 1 1 28 28 LEU N N 28 120.208 120.208 119.841 0.367 19531
152 1 . 1 1 28 28 LEU HA H 28 3.967 3.967 3.913 0.054 19531
153 1 . 1 1 28 28 LEU C C 28 178.275 178.275 178.915 -0.640 19531
154 1 . 1 1 28 28 LEU CA C 28 57.711 57.711 58.152 -0.442 19531
155 1 . 1 1 28 28 LEU CB C 28 40.858 40.858 41.415 -0.557 19531
156 1 . 1 1 28 28 LEU H H 28 8.700 8.700 8.126 0.574 19531
157 1 . 1 1 29 29 ARG N N 29 117.024 117.024 119.306 -2.283 19531
158 1 . 1 1 29 29 ARG HA H 29 3.992 3.992 4.025 -0.033 19531
159 1 . 1 1 29 29 ARG C C 29 177.555 177.555 178.687 -1.132 19531
160 1 . 1 1 29 29 ARG CA C 29 58.169 58.169 59.839 -1.670 19531
161 1 . 1 1 29 29 ARG CB C 29 29.514 29.514 30.175 -0.661 19531
162 1 . 1 1 29 29 ARG H H 29 8.401 8.401 8.329 0.072 19531
163 1 . 1 1 30 30 THR N N 30 115.290 115.290 115.309 -0.019 19531
164 1 . 1 1 30 30 THR HA H 30 3.989 3.989 4.069 -0.080 19531
165 1 . 1 1 30 30 THR C C 30 175.667 175.667 176.254 -0.587 19531
166 1 . 1 1 30 30 THR CA C 30 65.901 65.901 66.355 -0.454 19531
167 1 . 1 1 30 30 THR CB C 30 68.152 68.152 68.735 -0.583 19531
168 1 . 1 1 30 30 THR H H 30 7.920 7.920 8.175 -0.255 19531
169 1 . 1 1 31 31 VAL N N 31 120.275 120.275 120.599 -0.324 19531
170 1 . 1 1 31 31 VAL HA H 31 3.796 3.796 3.743 0.053 19531
171 1 . 1 1 31 31 VAL C C 31 176.518 176.518 177.176 -0.658 19531
172 1 . 1 1 31 31 VAL CA C 31 64.691 64.691 65.803 -1.111 19531
173 1 . 1 1 31 31 VAL CB C 31 31.135 31.135 31.812 -0.677 19531
174 1 . 1 1 31 31 VAL H H 31 8.296 8.296 7.910 0.386 19531
175 1 . 1 1 32 32 LYS N N 32 120.070 120.070 120.007 0.063 19531
176 1 . 1 1 32 32 LYS HA H 32 4.146 4.146 3.981 0.165 19531
177 1 . 1 1 32 32 LYS C C 32 177.183 177.183 178.855 -1.672 19531
178 1 . 1 1 32 32 LYS CA C 32 57.363 57.363 59.134 -1.771 19531
179 1 . 1 1 32 32 LYS CB C 32 31.916 31.916 32.201 -0.285 19531
180 1 . 1 1 32 32 LYS H H 32 8.028 8.028 8.081 -0.052 19531
181 1 . 1 1 33 33 ARG N N 33 119.397 119.397 116.884 2.513 19531
182 1 . 1 1 33 33 ARG HA H 33 4.225 4.225 4.353 -0.128 19531
183 1 . 1 1 33 33 ARG C C 33 176.780 176.780 175.829 0.951 19531
184 1 . 1 1 33 33 ARG CA C 33 56.612 56.612 55.734 0.878 19531
185 1 . 1 1 33 33 ARG CB C 33 29.738 29.738 29.096 0.642 19531
186 1 . 1 1 33 33 ARG H H 33 7.862 7.862 7.660 0.202 19531
187 1 . 1 1 34 34 ALA N N 34 123.007 123.007 120.838 2.169 19531
188 1 . 1 1 34 34 ALA HA H 34 4.277 4.277 4.526 -0.249 19531
189 1 . 1 1 34 34 ALA C C 34 177.085 177.085 176.768 0.317 19531
190 1 . 1 1 34 34 ALA CA C 34 52.589 52.589 51.959 0.630 19531
191 1 . 1 1 34 34 ALA CB C 34 18.354 18.354 20.655 -2.301 19531
192 1 . 1 1 34 34 ALA H H 34 8.083 8.083 8.048 0.035 19531
193 1 . 1 1 35 35 ASN N N 35 116.331 116.331 118.479 -2.148 19531
194 1 . 1 1 35 35 ASN HA H 35 4.735 4.735 4.808 -0.073 19531
195 1 . 1 1 35 35 ASN C C 35 174.979 174.979 175.860 -0.881 19531
196 1 . 1 1 35 35 ASN CA C 35 52.886 52.886 53.221 -0.335 19531
197 1 . 1 1 35 35 ASN CB C 35 38.827 38.827 39.923 -1.096 19531
198 1 . 1 1 35 35 ASN H H 35 8.042 8.042 7.795 0.247 19531
199 1 . 1 1 36 36 GLY N N 36 108.491 108.491 110.269 -1.778 19531
200 1 . 1 1 36 36 GLY C C 36 173.211 173.211 174.275 -1.064 19531
201 1 . 1 1 36 36 GLY CA C 36 44.953 44.953 45.009 -0.056 19531
202 1 . 1 1 36 36 GLY H H 36 8.063 8.063 8.511 -0.448 19531
stop_
save_