data_18793 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18793 _Entry.PDB_ID 2M04 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 18793 _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 1 1 MET N N 1 120.233 120.233 119.374 0.859 18793 2 1 1 . 1 1 1 1 MET C C 1 176.466 176.466 174.463 2.003 18793 3 1 1 . 1 1 1 1 MET CA C 1 54.999 54.999 56.100 -1.101 18793 4 1 1 . 1 1 1 1 MET CB C 1 31.334 31.334 31.521 -0.187 18793 5 1 1 . 1 1 1 1 MET H H 1 8.288 8.288 8.341 -0.053 18793 6 1 1 . 1 1 2 2 SER N N 2 117.150 117.150 114.609 2.541 18793 7 1 1 . 1 1 2 2 SER C C 2 175.585 175.585 174.464 1.121 18793 8 1 1 . 1 1 2 2 SER CA C 2 58.221 58.221 57.483 0.738 18793 9 1 1 . 1 1 2 2 SER CB C 2 62.221 62.221 64.687 -2.466 18793 10 1 1 . 1 1 2 2 SER H H 2 8.191 8.191 8.235 -0.044 18793 11 1 1 . 1 1 3 3 GLN N N 3 122.952 122.952 122.518 0.434 18793 12 1 1 . 1 1 3 3 GLN C C 3 176.703 176.703 177.807 -1.104 18793 13 1 1 . 1 1 3 3 GLN CA C 3 55.888 55.888 59.280 -3.392 18793 14 1 1 . 1 1 3 3 GLN CB C 3 27.445 27.445 28.510 -1.065 18793 15 1 1 . 1 1 3 3 GLN H H 3 8.334 8.334 8.698 -0.364 18793 16 1 1 . 1 1 4 4 SER N N 4 117.024 117.024 114.830 2.194 18793 17 1 1 . 1 1 4 4 SER C C 4 176.059 176.059 176.515 -0.456 18793 18 1 1 . 1 1 4 4 SER CA C 4 59.443 59.443 60.771 -1.328 18793 19 1 1 . 1 1 4 4 SER CB C 4 61.888 61.888 63.017 -1.129 18793 20 1 1 . 1 1 4 4 SER H H 4 8.300 8.300 8.402 -0.102 18793 21 1 1 . 1 1 5 5 ASN N N 5 122.025 122.025 120.914 1.111 18793 22 1 1 . 1 1 5 5 ASN C C 5 177.049 177.049 177.313 -0.264 18793 23 1 1 . 1 1 5 5 ASN CA C 5 55.110 55.110 56.040 -0.930 18793 24 1 1 . 1 1 5 5 ASN CB C 5 37.454 37.454 38.163 -0.709 18793 25 1 1 . 1 1 5 5 ASN H H 5 8.517 8.517 8.415 0.102 18793 26 1 1 . 1 1 6 6 ARG N N 6 119.117 119.117 120.541 -1.424 18793 27 1 1 . 1 1 6 6 ARG C C 6 177.144 177.144 179.026 -1.882 18793 28 1 1 . 1 1 6 6 ARG CA C 6 57.366 57.366 59.507 -2.141 18793 29 1 1 . 1 1 6 6 ARG CB C 6 28.348 28.348 30.219 -1.871 18793 30 1 1 . 1 1 6 6 ARG H H 6 8.194 8.194 7.697 0.497 18793 31 1 1 . 1 1 7 7 GLU N N 7 117.987 117.987 119.619 -1.632 18793 32 1 1 . 1 1 7 7 GLU C C 7 179.178 179.178 178.681 0.497 18793 33 1 1 . 1 1 7 7 GLU CA C 7 58.332 58.332 59.292 -0.960 18793 34 1 1 . 1 1 7 7 GLU CB C 7 28.112 28.112 29.557 -1.445 18793 35 1 1 . 1 1 7 7 GLU H H 7 7.902 7.902 8.220 -0.318 18793 36 1 1 . 1 1 8 8 LEU N N 8 120.359 120.359 121.889 -1.530 18793 37 1 1 . 1 1 8 8 LEU C C 8 178.161 178.161 178.614 -0.453 18793 38 1 1 . 1 1 8 8 LEU CA C 8 56.999 56.999 58.214 -1.215 18793 39 1 1 . 1 1 8 8 LEU CB C 8 40.222 40.222 42.435 -2.213 18793 40 1 1 . 1 1 8 8 LEU H H 8 7.690 7.690 8.387 -0.697 18793 41 1 1 . 1 1 9 9 VAL N N 9 117.926 117.926 116.326 1.600 18793 42 1 1 . 1 1 9 9 VAL C C 9 176.839 176.839 177.682 -0.843 18793 43 1 1 . 1 1 9 9 VAL CA C 9 66.554 66.554 66.326 0.228 18793 44 1 1 . 1 1 9 9 VAL CB C 9 31.001 31.001 30.287 0.714 18793 45 1 1 . 1 1 9 9 VAL H H 9 7.512 7.512 8.009 -0.497 18793 46 1 1 . 1 1 10 10 VAL N N 10 117.730 117.730 121.629 -3.899 18793 47 1 1 . 1 1 10 10 VAL C C 10 178.364 178.364 178.138 0.226 18793 48 1 1 . 1 1 10 10 VAL CA C 10 65.999 65.999 66.655 -0.656 18793 49 1 1 . 1 1 10 10 VAL CB C 10 30.112 30.112 30.812 -0.700 18793 50 1 1 . 1 1 10 10 VAL H H 10 8.254 8.254 7.562 0.692 18793 51 1 1 . 1 1 11 11 ASP N N 11 121.346 121.346 121.553 -0.207 18793 52 1 1 . 1 1 11 11 ASP C C 11 177.212 177.212 178.158 -0.946 18793 53 1 1 . 1 1 11 11 ASP CA C 11 57.999 57.999 57.502 0.497 18793 54 1 1 . 1 1 11 11 ASP CB C 11 42.111 42.111 40.664 1.447 18793 55 1 1 . 1 1 11 11 ASP H H 11 8.029 8.029 8.236 -0.207 18793 56 1 1 . 1 1 12 12 PHE N N 12 120.632 120.632 120.587 0.045 18793 57 1 1 . 1 1 12 12 PHE C C 12 177.890 177.890 177.347 0.543 18793 58 1 1 . 1 1 12 12 PHE CA C 12 62.110 62.110 61.102 1.008 18793 59 1 1 . 1 1 12 12 PHE CB C 12 38.778 38.778 39.057 -0.279 18793 60 1 1 . 1 1 12 12 PHE H H 12 8.120 8.120 7.725 0.395 18793 61 1 1 . 1 1 13 13 LEU N N 13 117.068 117.068 121.247 -4.179 18793 62 1 1 . 1 1 13 13 LEU C C 13 179.280 179.280 178.734 0.546 18793 63 1 1 . 1 1 13 13 LEU CA C 13 57.555 57.555 57.685 -0.130 18793 64 1 1 . 1 1 13 13 LEU CB C 13 40.222 40.222 40.853 -0.631 18793 65 1 1 . 1 1 13 13 LEU H H 13 8.770 8.770 8.507 0.263 18793 66 1 1 . 1 1 14 14 SER N N 14 114.398 114.398 114.567 -0.169 18793 67 1 1 . 1 1 14 14 SER C C 14 176.941 176.941 176.448 0.493 18793 68 1 1 . 1 1 14 14 SER CA C 14 61.777 61.777 61.180 0.597 18793 69 1 1 . 1 1 14 14 SER CB C 14 60.824 60.824 62.998 -2.174 18793 70 1 1 . 1 1 14 14 SER H H 14 8.407 8.407 8.545 -0.138 18793 71 1 1 . 1 1 15 15 TYR N N 15 125.435 125.435 123.079 2.356 18793 72 1 1 . 1 1 15 15 TYR C C 15 177.991 177.991 177.353 0.638 18793 73 1 1 . 1 1 15 15 TYR CA C 15 59.274 59.274 60.380 -1.106 18793 74 1 1 . 1 1 15 15 TYR CB C 15 36.457 36.457 38.031 -1.574 18793 75 1 1 . 1 1 15 15 TYR H H 15 8.129 8.129 7.960 0.169 18793 76 1 1 . 1 1 16 16 LYS N N 16 120.549 120.549 118.356 2.193 18793 77 1 1 . 1 1 16 16 LYS C C 16 180.127 180.127 179.533 0.594 18793 78 1 1 . 1 1 16 16 LYS CA C 16 56.221 56.221 58.732 -2.511 18793 79 1 1 . 1 1 16 16 LYS CB C 16 28.223 28.223 32.083 -3.860 18793 80 1 1 . 1 1 16 16 LYS H H 16 8.150 8.150 7.344 0.806 18793 81 1 1 . 1 1 17 17 LEU N N 17 118.843 118.843 120.538 -1.695 18793 82 1 1 . 1 1 17 17 LEU C C 17 179.653 179.653 178.744 0.909 18793 83 1 1 . 1 1 17 17 LEU CA C 17 57.777 57.777 57.090 0.687 18793 84 1 1 . 1 1 17 17 LEU CB C 17 39.667 39.667 41.763 -2.096 18793 85 1 1 . 1 1 17 17 LEU H H 17 8.581 8.581 8.107 0.474 18793 86 1 1 . 1 1 18 18 SER N N 18 117.814 117.814 114.741 3.073 18793 87 1 1 . 1 1 18 18 SER C C 18 178.297 178.297 176.007 2.290 18793 88 1 1 . 1 1 18 18 SER CA C 18 60.492 60.492 61.283 -0.791 18793 89 1 1 . 1 1 18 18 SER CB C 18 61.600 61.600 62.718 -1.117 18793 90 1 1 . 1 1 18 18 SER H H 18 8.272 8.272 8.433 -0.161 18793 91 1 1 . 1 1 19 19 GLN N N 19 123.182 123.182 119.613 3.569 18793 92 1 1 . 1 1 19 19 GLN C C 19 176.941 176.941 177.551 -0.610 18793 93 1 1 . 1 1 19 19 GLN CA C 19 57.666 57.666 58.153 -0.487 18793 94 1 1 . 1 1 19 19 GLN CB C 19 27.334 27.334 28.746 -1.412 18793 95 1 1 . 1 1 19 19 GLN H H 19 7.562 7.562 7.432 0.130 18793 96 1 1 . 1 1 20 20 LYS N N 20 116.732 116.732 116.526 0.206 18793 97 1 1 . 1 1 20 20 LYS C C 20 175.178 175.178 175.882 -0.704 18793 98 1 1 . 1 1 20 20 LYS CA C 20 52.999 52.999 56.119 -3.120 18793 99 1 1 . 1 1 20 20 LYS CB C 20 31.445 31.445 33.658 -2.213 18793 100 1 1 . 1 1 20 20 LYS H H 20 7.114 7.114 7.582 -0.468 18793 101 1 1 . 1 1 21 21 GLY N N 21 105.804 105.804 107.866 -2.062 18793 102 1 1 . 1 1 21 21 GLY C C 21 173.652 173.652 173.093 0.559 18793 103 1 1 . 1 1 21 21 GLY CA C 21 44.210 44.210 44.760 -0.550 18793 104 1 1 . 1 1 21 21 GLY H H 21 7.451 7.451 7.440 0.011 18793 105 1 1 . 1 1 22 22 TYR N N 22 120.097 120.097 119.386 0.711 18793 106 1 1 . 1 1 22 22 TYR C C 22 174.737 174.737 173.363 1.374 18793 107 1 1 . 1 1 22 22 TYR CA C 22 54.666 54.666 57.378 -2.712 18793 108 1 1 . 1 1 22 22 TYR CB C 22 39.667 39.667 41.684 -2.017 18793 109 1 1 . 1 1 22 22 TYR H H 22 7.769 7.769 7.263 0.506 18793 110 1 1 . 1 1 23 23 SER N N 23 115.275 115.275 117.520 -2.245 18793 111 1 1 . 1 1 23 23 SER C C 23 174.262 174.262 174.772 -0.510 18793 112 1 1 . 1 1 23 23 SER CA C 23 55.888 55.888 56.512 -0.624 18793 113 1 1 . 1 1 23 23 SER CB C 23 63.888 63.888 64.990 -1.102 18793 114 1 1 . 1 1 23 23 SER H H 23 8.483 8.483 8.415 0.068 18793 115 1 1 . 1 1 24 24 TRP N N 24 127.826 127.826 127.068 0.758 18793 116 1 1 . 1 1 24 24 TRP C C 24 176.669 176.669 176.233 0.436 18793 117 1 1 . 1 1 24 24 TRP CA C 24 59.385 59.385 58.639 0.746 18793 118 1 1 . 1 1 24 24 TRP CB C 24 29.479 29.479 28.982 0.497 18793 119 1 1 . 1 1 24 24 TRP H H 24 8.928 8.928 8.665 0.263 18793 120 1 1 . 1 1 25 25 SER N N 25 111.710 111.710 114.841 -3.131 18793 121 1 1 . 1 1 25 25 SER C C 25 174.974 174.974 175.331 -0.357 18793 122 1 1 . 1 1 25 25 SER CA C 25 59.332 59.332 59.946 -0.614 18793 123 1 1 . 1 1 25 25 SER CB C 25 61.888 61.888 62.883 -0.995 18793 124 1 1 . 1 1 25 25 SER H H 25 8.146 8.146 7.251 0.895 18793 125 1 1 . 1 1 26 26 GLN N N 26 119.553 119.553 116.319 3.234 18793 126 1 1 . 1 1 26 26 GLN C C 26 175.991 175.991 174.682 1.309 18793 127 1 1 . 1 1 26 26 GLN CA C 26 56.332 56.332 56.109 0.223 18793 128 1 1 . 1 1 26 26 GLN CB C 26 27.112 27.112 29.228 -2.116 18793 129 1 1 . 1 1 26 26 GLN H H 26 7.319 7.319 7.847 -0.528 18793 130 1 1 . 1 1 27 27 PHE N N 27 116.264 116.264 118.275 -2.011 18793 131 1 1 . 1 1 27 27 PHE C C 27 174.635 174.635 172.995 1.640 18793 132 1 1 . 1 1 27 27 PHE CA C 27 55.555 55.555 59.919 -4.364 18793 133 1 1 . 1 1 27 27 PHE CB C 27 38.556 38.556 38.299 0.257 18793 134 1 1 . 1 1 27 27 PHE H H 27 7.109 7.109 8.237 -1.128 18793 135 1 1 . 1 1 28 28 SER N N 28 114.011 114.011 111.278 2.733 18793 136 1 1 . 1 1 28 28 SER C C 28 173.313 173.313 172.804 0.509 18793 137 1 1 . 1 1 28 28 SER CA C 28 56.555 56.555 57.665 -1.110 18793 138 1 1 . 1 1 28 28 SER CB C 28 62.665 62.665 64.964 -2.299 18793 139 1 1 . 1 1 28 28 SER H H 28 7.058 7.058 7.451 -0.393 18793 140 1 1 . 1 1 29 29 ASP N N 29 123.008 123.008 122.862 0.146 18793 141 1 1 . 1 1 29 29 ASP C C 29 175.991 175.991 175.763 0.228 18793 142 1 1 . 1 1 29 29 ASP CA C 29 53.333 53.333 54.192 -0.859 18793 143 1 1 . 1 1 29 29 ASP CB C 29 39.889 39.889 41.365 -1.476 18793 144 1 1 . 1 1 29 29 ASP H H 29 8.220 8.220 8.677 -0.457 18793 145 1 1 . 1 1 30 30 VAL N N 30 119.570 119.570 120.784 -1.214 18793 146 1 1 . 1 1 30 30 VAL C C 30 175.788 175.788 175.276 0.512 18793 147 1 1 . 1 1 30 30 VAL CA C 30 61.332 61.332 63.791 -2.459 18793 148 1 1 . 1 1 30 30 VAL CB C 30 31.889 31.889 29.809 2.080 18793 149 1 1 . 1 1 30 30 VAL H H 30 7.823 7.823 8.127 -0.304 18793 150 1 1 . 1 1 31 31 GLU N N 31 124.976 124.976 118.593 6.383 18793 151 1 1 . 1 1 31 31 GLU C C 31 176.229 176.229 175.478 0.751 18793 152 1 1 . 1 1 31 31 GLU CA C 31 55.397 55.397 56.699 -1.302 18793 153 1 1 . 1 1 31 31 GLU CB C 31 28.704 28.704 31.110 -2.406 18793 154 1 1 . 1 1 31 31 GLU H H 31 8.390 8.390 8.617 -0.227 18793 155 1 1 . 1 1 32 32 GLU N N 32 122.629 122.629 116.443 6.186 18793 156 1 1 . 1 1 32 32 GLU C C 32 175.788 175.788 175.050 0.738 18793 157 1 1 . 1 1 32 32 GLU CA C 32 55.444 55.444 56.841 -1.397 18793 158 1 1 . 1 1 32 32 GLU CB C 32 29.001 29.001 30.498 -1.497 18793 159 1 1 . 1 1 32 32 GLU H H 32 8.307 8.307 8.163 0.144 18793 160 1 1 . 1 1 33 33 ASN N N 33 119.996 119.996 115.311 4.685 18793 161 1 1 . 1 1 33 33 ASN C C 33 174.601 174.601 174.874 -0.273 18793 162 1 1 . 1 1 33 33 ASN CA C 33 52.555 52.555 54.624 -2.069 18793 163 1 1 . 1 1 33 33 ASN CB C 33 37.778 37.778 37.517 0.261 18793 164 1 1 . 1 1 33 33 ASN H H 33 8.386 8.386 8.611 -0.225 18793 165 1 1 . 1 1 34 34 ARG N N 34 122.424 122.424 116.772 5.652 18793 166 1 1 . 1 1 34 34 ARG C C 34 176.195 176.195 176.665 -0.470 18793 167 1 1 . 1 1 34 34 ARG CA C 34 55.332 55.332 56.449 -1.117 18793 168 1 1 . 1 1 34 34 ARG CB C 34 29.334 29.334 30.268 -0.934 18793 169 1 1 . 1 1 34 34 ARG H H 34 8.211 8.211 8.211 0.000 18793 170 1 1 . 1 1 35 35 THR N N 35 116.319 116.319 116.016 0.303 18793 171 1 1 . 1 1 35 35 THR C C 35 174.093 174.093 174.629 -0.536 18793 172 1 1 . 1 1 35 35 THR CA C 35 60.999 60.999 64.437 -3.438 18793 173 1 1 . 1 1 35 35 THR CB C 35 68.887 68.887 68.860 0.027 18793 174 1 1 . 1 1 35 35 THR H H 35 8.143 8.143 8.215 -0.072 18793 175 1 1 . 1 1 36 36 GLU N N 36 123.405 123.405 117.215 6.190 18793 176 1 1 . 1 1 36 36 GLU C C 36 175.279 175.279 175.750 -0.471 18793 177 1 1 . 1 1 36 36 GLU CA C 36 55.397 55.397 56.624 -1.227 18793 178 1 1 . 1 1 36 36 GLU CB C 36 28.815 28.815 27.301 1.514 18793 179 1 1 . 1 1 36 36 GLU H H 36 8.270 8.270 8.497 -0.227 18793 180 1 1 . 1 1 37 37 ALA N N 37 126.500 126.500 123.944 2.556 18793 181 1 1 . 1 1 37 37 ALA C C 37 175.279 175.279 176.701 -1.422 18793 182 1 1 . 1 1 37 37 ALA CA C 37 49.638 49.638 51.297 -1.659 18793 183 1 1 . 1 1 37 37 ALA CB C 37 17.074 17.074 19.198 -2.124 18793 184 1 1 . 1 1 37 37 ALA H H 37 8.170 8.170 8.153 0.017 18793 185 1 1 . 1 1 39 39 GLU N N 39 121.397 121.397 116.113 5.284 18793 186 1 1 . 1 1 39 39 GLU C C 39 176.771 176.771 175.443 1.328 18793 187 1 1 . 1 1 39 39 GLU CA C 39 55.999 55.999 56.471 -0.472 18793 188 1 1 . 1 1 39 39 GLU CB C 39 29.001 29.001 28.514 0.487 18793 189 1 1 . 1 1 39 39 GLU H H 39 8.480 8.480 8.225 0.255 18793 190 1 1 . 1 1 40 40 GLY N N 40 110.587 110.587 107.210 3.377 18793 191 1 1 . 1 1 40 40 GLY C C 40 174.330 174.330 174.091 0.239 18793 192 1 1 . 1 1 40 40 GLY CA C 40 44.555 44.555 45.465 -0.910 18793 193 1 1 . 1 1 40 40 GLY H H 40 8.388 8.388 8.193 0.195 18793 194 1 1 . 1 1 41 41 THR N N 41 113.357 113.357 110.019 3.338 18793 195 1 1 . 1 1 41 41 THR C C 41 175.279 175.279 174.430 0.849 18793 196 1 1 . 1 1 41 41 THR CA C 41 61.332 61.332 61.936 -0.604 18793 197 1 1 . 1 1 41 41 THR CB C 41 68.887 68.887 70.494 -1.607 18793 198 1 1 . 1 1 41 41 THR H H 41 8.072 8.072 7.862 0.210 18793 199 1 1 . 1 1 42 42 GLU N N 42 123.483 123.483 120.427 3.056 18793 200 1 1 . 1 1 42 42 GLU C C 42 177.076 177.076 176.826 0.250 18793 201 1 1 . 1 1 42 42 GLU CA C 42 56.505 56.505 57.091 -0.586 18793 202 1 1 . 1 1 42 42 GLU CB C 42 28.040 28.040 30.905 -2.865 18793 203 1 1 . 1 1 42 42 GLU H H 42 8.741 8.741 8.213 0.528 18793 204 1 1 . 1 1 43 43 SER N N 43 115.380 115.380 115.023 0.357 18793 205 1 1 . 1 1 43 43 SER C C 43 175.483 175.483 174.454 1.029 18793 206 1 1 . 1 1 43 43 SER CA C 43 57.999 57.999 61.615 -3.616 18793 207 1 1 . 1 1 43 43 SER CB C 43 62.221 62.221 63.540 -1.319 18793 208 1 1 . 1 1 43 43 SER H H 43 8.297 8.297 8.571 -0.274 18793 209 1 1 . 1 1 86 86 VAL N N 86 118.964 118.964 121.627 -2.663 18793 210 1 1 . 1 1 86 86 VAL C C 86 176.466 176.466 176.041 0.425 18793 211 1 1 . 1 1 86 86 VAL CA C 86 64.999 64.999 64.894 0.105 18793 212 1 1 . 1 1 86 86 VAL CB C 86 30.112 30.112 31.650 -1.538 18793 213 1 1 . 1 1 86 86 VAL H H 86 7.342 7.342 8.368 -1.026 18793 214 1 1 . 1 1 87 87 LYS N N 87 118.061 118.061 119.812 -1.751 18793 215 1 1 . 1 1 87 87 LYS C C 87 178.669 178.669 178.787 -0.118 18793 216 1 1 . 1 1 87 87 LYS CA C 87 58.443 58.443 59.662 -1.219 18793 217 1 1 . 1 1 87 87 LYS CB C 87 30.778 30.778 32.012 -1.234 18793 218 1 1 . 1 1 87 87 LYS H H 87 7.312 7.312 7.896 -0.584 18793 219 1 1 . 1 1 88 88 GLN N N 88 116.417 116.417 118.394 -1.977 18793 220 1 1 . 1 1 88 88 GLN C C 88 177.212 177.212 177.802 -0.590 18793 221 1 1 . 1 1 88 88 GLN CA C 88 57.888 57.888 58.172 -0.284 18793 222 1 1 . 1 1 88 88 GLN CB C 88 26.890 26.890 28.118 -1.228 18793 223 1 1 . 1 1 88 88 GLN H H 88 7.924 7.924 7.964 -0.040 18793 224 1 1 . 1 1 89 89 ALA N N 89 120.666 120.666 123.295 -2.629 18793 225 1 1 . 1 1 89 89 ALA C C 89 179.076 179.076 179.234 -0.158 18793 226 1 1 . 1 1 89 89 ALA CA C 89 53.999 53.999 54.955 -0.956 18793 227 1 1 . 1 1 89 89 ALA CB C 89 17.113 17.113 18.376 -1.263 18793 228 1 1 . 1 1 89 89 ALA H H 89 7.605 7.605 7.889 -0.284 18793 229 1 1 . 1 1 90 90 LEU N N 90 119.883 119.883 118.920 0.963 18793 230 1 1 . 1 1 90 90 LEU C C 90 179.178 179.178 178.707 0.471 18793 231 1 1 . 1 1 90 90 LEU CA C 90 57.332 57.332 57.603 -0.271 18793 232 1 1 . 1 1 90 90 LEU CB C 90 40.889 40.889 40.679 0.210 18793 233 1 1 . 1 1 90 90 LEU H H 90 8.283 8.283 8.221 0.062 18793 234 1 1 . 1 1 91 91 ARG N N 91 118.692 118.692 118.853 -0.161 18793 235 1 1 . 1 1 91 91 ARG C C 91 178.432 178.432 178.849 -0.417 18793 236 1 1 . 1 1 91 91 ARG CA C 91 59.666 59.666 59.616 0.050 18793 237 1 1 . 1 1 91 91 ARG CB C 91 29.334 29.334 30.335 -1.001 18793 238 1 1 . 1 1 91 91 ARG H H 91 8.011 8.011 7.528 0.483 18793 239 1 1 . 1 1 92 92 GLU N N 92 116.799 116.799 118.945 -2.146 18793 240 1 1 . 1 1 92 92 GLU C C 92 179.788 179.788 179.087 0.701 18793 241 1 1 . 1 1 92 92 GLU CA C 92 58.110 58.110 59.376 -1.266 18793 242 1 1 . 1 1 92 92 GLU CB C 92 27.890 27.890 29.875 -1.985 18793 243 1 1 . 1 1 92 92 GLU H H 92 7.802 7.802 7.765 0.037 18793 244 1 1 . 1 1 93 93 ALA N N 93 124.583 124.583 119.539 5.044 18793 245 1 1 . 1 1 93 93 ALA C C 93 180.161 180.161 180.073 0.088 18793 246 1 1 . 1 1 93 93 ALA CA C 93 54.290 54.290 53.670 0.620 18793 247 1 1 . 1 1 93 93 ALA CB C 93 18.071 18.071 18.730 -0.659 18793 248 1 1 . 1 1 93 93 ALA H H 93 8.795 8.795 8.173 0.622 18793 249 1 1 . 1 1 94 94 GLY N N 94 107.341 107.341 106.528 0.813 18793 250 1 1 . 1 1 94 94 GLY C C 94 175.673 175.673 175.001 0.672 18793 251 1 1 . 1 1 94 94 GLY CA C 94 46.333 46.333 46.900 -0.567 18793 252 1 1 . 1 1 94 94 GLY H H 94 8.949 8.949 8.014 0.935 18793 253 1 1 . 1 1 95 95 ASP N N 95 122.494 122.494 117.827 4.667 18793 254 1 1 . 1 1 95 95 ASP C C 95 175.822 175.822 176.028 -0.206 18793 255 1 1 . 1 1 95 95 ASP CA C 95 62.448 62.448 55.287 7.161 18793 256 1 1 . 1 1 95 95 ASP CB C 95 38.604 38.604 42.707 -4.103 18793 257 1 1 . 1 1 95 95 ASP H H 95 8.129 8.129 7.720 0.409 18793 258 1 1 . 1 1 96 96 GLU N N 96 123.198 123.198 120.635 2.563 18793 259 1 1 . 1 1 96 96 GLU C C 96 177.367 177.367 177.400 -0.033 18793 260 1 1 . 1 1 96 96 GLU CA C 96 57.391 57.391 56.912 0.479 18793 261 1 1 . 1 1 96 96 GLU CB C 96 27.929 27.929 29.604 -1.675 18793 262 1 1 . 1 1 96 96 GLU H H 96 8.691 8.691 7.958 0.733 18793 263 1 1 . 1 1 97 97 PHE N N 97 113.232 113.232 115.822 -2.590 18793 264 1 1 . 1 1 97 97 PHE C C 97 175.163 175.163 175.871 -0.708 18793 265 1 1 . 1 1 97 97 PHE CA C 97 61.888 61.888 59.720 2.168 18793 266 1 1 . 1 1 97 97 PHE H H 97 7.939 7.939 7.631 0.308 18793 267 1 2 . 1 1 1 1 MET N N 1 120.233 120.233 120.258 -0.025 18793 268 1 2 . 1 1 1 1 MET C C 1 176.466 176.466 176.139 0.327 18793 269 1 2 . 1 1 1 1 MET CA C 1 54.999 54.999 56.096 -1.097 18793 270 1 2 . 1 1 1 1 MET CB C 1 31.334 31.334 33.284 -1.950 18793 271 1 2 . 1 1 1 1 MET H H 1 8.288 8.288 8.302 -0.014 18793 272 1 2 . 1 1 2 2 SER N N 2 117.150 117.150 112.260 4.890 18793 273 1 2 . 1 1 2 2 SER C C 2 175.585 175.585 174.553 1.032 18793 274 1 2 . 1 1 2 2 SER CA C 2 58.221 58.221 58.350 -0.129 18793 275 1 2 . 1 1 2 2 SER CB C 2 62.221 62.221 62.406 -0.185 18793 276 1 2 . 1 1 2 2 SER H H 2 8.191 8.191 8.462 -0.271 18793 277 1 2 . 1 1 3 3 GLN N N 3 122.952 122.952 121.682 1.270 18793 278 1 2 . 1 1 3 3 GLN C C 3 176.703 176.703 177.303 -0.600 18793 279 1 2 . 1 1 3 3 GLN CA C 3 55.888 55.888 58.695 -2.807 18793 280 1 2 . 1 1 3 3 GLN CB C 3 27.445 27.445 28.694 -1.249 18793 281 1 2 . 1 1 3 3 GLN H H 3 8.334 8.334 8.581 -0.247 18793 282 1 2 . 1 1 4 4 SER N N 4 117.024 117.024 113.224 3.800 18793 283 1 2 . 1 1 4 4 SER C C 4 176.059 176.059 176.341 -0.282 18793 284 1 2 . 1 1 4 4 SER CA C 4 59.443 59.443 60.062 -0.619 18793 285 1 2 . 1 1 4 4 SER CB C 4 61.888 61.888 62.812 -0.924 18793 286 1 2 . 1 1 4 4 SER H H 4 8.300 8.300 8.072 0.228 18793 287 1 2 . 1 1 5 5 ASN N N 5 122.025 122.025 120.622 1.403 18793 288 1 2 . 1 1 5 5 ASN C C 5 177.049 177.049 177.258 -0.209 18793 289 1 2 . 1 1 5 5 ASN CA C 5 55.110 55.110 56.236 -1.126 18793 290 1 2 . 1 1 5 5 ASN CB C 5 37.454 37.454 38.235 -0.781 18793 291 1 2 . 1 1 5 5 ASN H H 5 8.517 8.517 8.550 -0.033 18793 292 1 2 . 1 1 6 6 ARG N N 6 119.117 119.117 119.802 -0.685 18793 293 1 2 . 1 1 6 6 ARG C C 6 177.144 177.144 178.458 -1.314 18793 294 1 2 . 1 1 6 6 ARG CA C 6 57.366 57.366 59.492 -2.126 18793 295 1 2 . 1 1 6 6 ARG CB C 6 28.348 28.348 30.313 -1.965 18793 296 1 2 . 1 1 6 6 ARG H H 6 8.194 8.194 7.600 0.594 18793 297 1 2 . 1 1 7 7 GLU N N 7 117.987 117.987 119.686 -1.699 18793 298 1 2 . 1 1 7 7 GLU C C 7 179.178 179.178 178.427 0.751 18793 299 1 2 . 1 1 7 7 GLU CA C 7 58.332 58.332 59.006 -0.674 18793 300 1 2 . 1 1 7 7 GLU CB C 7 28.112 28.112 29.532 -1.420 18793 301 1 2 . 1 1 7 7 GLU H H 7 7.902 7.902 7.575 0.327 18793 302 1 2 . 1 1 8 8 LEU N N 8 120.359 120.359 122.431 -2.072 18793 303 1 2 . 1 1 8 8 LEU C C 8 178.161 178.161 178.179 -0.018 18793 304 1 2 . 1 1 8 8 LEU CA C 8 56.999 56.999 58.233 -1.234 18793 305 1 2 . 1 1 8 8 LEU CB C 8 40.222 40.222 42.278 -2.056 18793 306 1 2 . 1 1 8 8 LEU H H 8 7.690 7.690 7.848 -0.158 18793 307 1 2 . 1 1 9 9 VAL N N 9 117.926 117.926 118.754 -0.828 18793 308 1 2 . 1 1 9 9 VAL C C 9 176.839 176.839 177.772 -0.933 18793 309 1 2 . 1 1 9 9 VAL CA C 9 66.554 66.554 66.683 -0.129 18793 310 1 2 . 1 1 9 9 VAL CB C 9 31.001 31.001 31.943 -0.942 18793 311 1 2 . 1 1 9 9 VAL H H 9 7.512 7.512 8.007 -0.495 18793 312 1 2 . 1 1 10 10 VAL N N 10 117.730 117.730 119.726 -1.996 18793 313 1 2 . 1 1 10 10 VAL C C 10 178.364 178.364 177.713 0.651 18793 314 1 2 . 1 1 10 10 VAL CA C 10 65.999 65.999 66.532 -0.533 18793 315 1 2 . 1 1 10 10 VAL CB C 10 30.112 30.112 31.313 -1.201 18793 316 1 2 . 1 1 10 10 VAL H H 10 8.254 8.254 7.517 0.737 18793 317 1 2 . 1 1 11 11 ASP N N 11 121.346 121.346 121.168 0.178 18793 318 1 2 . 1 1 11 11 ASP C C 11 177.212 177.212 178.282 -1.070 18793 319 1 2 . 1 1 11 11 ASP CA C 11 57.999 57.999 57.105 0.894 18793 320 1 2 . 1 1 11 11 ASP CB C 11 42.111 42.111 40.684 1.427 18793 321 1 2 . 1 1 11 11 ASP H H 11 8.029 8.029 8.061 -0.032 18793 322 1 2 . 1 1 12 12 PHE N N 12 120.632 120.632 118.781 1.851 18793 323 1 2 . 1 1 12 12 PHE C C 12 177.890 177.890 178.217 -0.327 18793 324 1 2 . 1 1 12 12 PHE CA C 12 62.110 62.110 61.956 0.154 18793 325 1 2 . 1 1 12 12 PHE CB C 12 38.778 38.778 38.971 -0.193 18793 326 1 2 . 1 1 12 12 PHE H H 12 8.120 8.120 7.875 0.245 18793 327 1 2 . 1 1 13 13 LEU N N 13 117.068 117.068 120.722 -3.654 18793 328 1 2 . 1 1 13 13 LEU C C 13 179.280 179.280 179.022 0.258 18793 329 1 2 . 1 1 13 13 LEU CA C 13 57.555 57.555 57.949 -0.394 18793 330 1 2 . 1 1 13 13 LEU CB C 13 40.222 40.222 40.893 -0.671 18793 331 1 2 . 1 1 13 13 LEU H H 13 8.770 8.770 8.504 0.266 18793 332 1 2 . 1 1 14 14 SER N N 14 114.398 114.398 115.621 -1.223 18793 333 1 2 . 1 1 14 14 SER C C 14 176.941 176.941 177.135 -0.194 18793 334 1 2 . 1 1 14 14 SER CA C 14 61.777 61.777 61.729 0.048 18793 335 1 2 . 1 1 14 14 SER CB C 14 60.824 60.824 62.887 -2.063 18793 336 1 2 . 1 1 14 14 SER H H 14 8.407 8.407 8.701 -0.294 18793 337 1 2 . 1 1 15 15 TYR N N 15 125.435 125.435 123.028 2.407 18793 338 1 2 . 1 1 15 15 TYR C C 15 177.991 177.991 177.515 0.476 18793 339 1 2 . 1 1 15 15 TYR CA C 15 59.274 59.274 61.811 -2.537 18793 340 1 2 . 1 1 15 15 TYR CB C 15 36.457 36.457 38.537 -2.080 18793 341 1 2 . 1 1 15 15 TYR H H 15 8.129 8.129 7.877 0.252 18793 342 1 2 . 1 1 16 16 LYS N N 16 120.549 120.549 119.543 1.006 18793 343 1 2 . 1 1 16 16 LYS C C 16 180.127 180.127 179.104 1.023 18793 344 1 2 . 1 1 16 16 LYS CA C 16 56.221 56.221 59.276 -3.055 18793 345 1 2 . 1 1 16 16 LYS CB C 16 28.223 28.223 32.310 -4.087 18793 346 1 2 . 1 1 16 16 LYS H H 16 8.150 8.150 7.889 0.261 18793 347 1 2 . 1 1 17 17 LEU N N 17 118.843 118.843 118.879 -0.036 18793 348 1 2 . 1 1 17 17 LEU C C 17 179.653 179.653 178.308 1.345 18793 349 1 2 . 1 1 17 17 LEU CA C 17 57.777 57.777 57.005 0.772 18793 350 1 2 . 1 1 17 17 LEU CB C 17 39.667 39.667 42.111 -2.444 18793 351 1 2 . 1 1 17 17 LEU H H 17 8.581 8.581 8.175 0.406 18793 352 1 2 . 1 1 18 18 SER N N 18 117.814 117.814 115.144 2.670 18793 353 1 2 . 1 1 18 18 SER C C 18 178.297 178.297 176.178 2.119 18793 354 1 2 . 1 1 18 18 SER CA C 18 60.492 60.492 60.838 -0.346 18793 355 1 2 . 1 1 18 18 SER CB C 18 61.600 61.600 62.527 -0.927 18793 356 1 2 . 1 1 18 18 SER H H 18 8.272 8.272 8.262 0.010 18793 357 1 2 . 1 1 19 19 GLN N N 19 123.182 123.182 119.572 3.610 18793 358 1 2 . 1 1 19 19 GLN C C 19 176.941 176.941 177.344 -0.403 18793 359 1 2 . 1 1 19 19 GLN CA C 19 57.666 57.666 58.194 -0.528 18793 360 1 2 . 1 1 19 19 GLN CB C 19 27.334 27.334 28.658 -1.324 18793 361 1 2 . 1 1 19 19 GLN H H 19 7.562 7.562 7.780 -0.218 18793 362 1 2 . 1 1 20 20 LYS N N 20 116.732 116.732 116.108 0.624 18793 363 1 2 . 1 1 20 20 LYS C C 20 175.178 175.178 176.941 -1.763 18793 364 1 2 . 1 1 20 20 LYS CA C 20 52.999 52.999 56.243 -3.244 18793 365 1 2 . 1 1 20 20 LYS CB C 20 31.445 31.445 33.812 -2.367 18793 366 1 2 . 1 1 20 20 LYS H H 20 7.114 7.114 7.790 -0.676 18793 367 1 2 . 1 1 21 21 GLY N N 21 105.804 105.804 107.840 -2.036 18793 368 1 2 . 1 1 21 21 GLY C C 21 173.652 173.652 173.335 0.317 18793 369 1 2 . 1 1 21 21 GLY CA C 21 44.210 44.210 44.979 -0.769 18793 370 1 2 . 1 1 21 21 GLY H H 21 7.451 7.451 7.706 -0.255 18793 371 1 2 . 1 1 22 22 TYR N N 22 120.097 120.097 119.544 0.553 18793 372 1 2 . 1 1 22 22 TYR C C 22 174.737 174.737 173.690 1.047 18793 373 1 2 . 1 1 22 22 TYR CA C 22 54.666 54.666 57.502 -2.836 18793 374 1 2 . 1 1 22 22 TYR CB C 22 39.667 39.667 42.361 -2.694 18793 375 1 2 . 1 1 22 22 TYR H H 22 7.769 7.769 7.689 0.080 18793 376 1 2 . 1 1 23 23 SER N N 23 115.275 115.275 118.090 -2.815 18793 377 1 2 . 1 1 23 23 SER C C 23 174.262 174.262 173.825 0.437 18793 378 1 2 . 1 1 23 23 SER CA C 23 55.888 55.888 56.810 -0.922 18793 379 1 2 . 1 1 23 23 SER CB C 23 63.888 63.888 64.904 -1.016 18793 380 1 2 . 1 1 23 23 SER H H 23 8.483 8.483 8.479 0.004 18793 381 1 2 . 1 1 24 24 TRP N N 24 127.826 127.826 126.126 1.700 18793 382 1 2 . 1 1 24 24 TRP C C 24 176.669 176.669 176.400 0.269 18793 383 1 2 . 1 1 24 24 TRP CA C 24 59.385 59.385 57.651 1.734 18793 384 1 2 . 1 1 24 24 TRP CB C 24 29.479 29.479 30.417 -0.938 18793 385 1 2 . 1 1 24 24 TRP H H 24 8.928 8.928 8.809 0.119 18793 386 1 2 . 1 1 25 25 SER N N 25 111.710 111.710 115.334 -3.624 18793 387 1 2 . 1 1 25 25 SER C C 25 174.974 174.974 173.383 1.591 18793 388 1 2 . 1 1 25 25 SER CA C 25 59.332 59.332 58.382 0.950 18793 389 1 2 . 1 1 25 25 SER CB C 25 61.888 61.888 63.146 -1.258 18793 390 1 2 . 1 1 25 25 SER H H 25 8.146 8.146 7.705 0.441 18793 391 1 2 . 1 1 26 26 GLN N N 26 119.553 119.553 119.285 0.268 18793 392 1 2 . 1 1 26 26 GLN C C 26 175.991 175.991 174.966 1.025 18793 393 1 2 . 1 1 26 26 GLN CA C 26 56.332 56.332 56.502 -0.170 18793 394 1 2 . 1 1 26 26 GLN CB C 26 27.112 27.112 27.571 -0.459 18793 395 1 2 . 1 1 26 26 GLN H H 26 7.319 7.319 7.942 -0.623 18793 396 1 2 . 1 1 27 27 PHE N N 27 116.264 116.264 116.512 -0.248 18793 397 1 2 . 1 1 27 27 PHE C C 27 174.635 174.635 175.554 -0.919 18793 398 1 2 . 1 1 27 27 PHE CA C 27 55.555 55.555 58.730 -3.175 18793 399 1 2 . 1 1 27 27 PHE CB C 27 38.556 38.556 37.593 0.963 18793 400 1 2 . 1 1 27 27 PHE H H 27 7.109 7.109 8.682 -1.573 18793 401 1 2 . 1 1 28 28 SER N N 28 114.011 114.011 114.470 -0.459 18793 402 1 2 . 1 1 28 28 SER C C 28 173.313 173.313 173.778 -0.465 18793 403 1 2 . 1 1 28 28 SER CA C 28 56.555 56.555 62.158 -5.604 18793 404 1 2 . 1 1 28 28 SER CB C 28 62.665 62.665 62.982 -0.317 18793 405 1 2 . 1 1 28 28 SER H H 28 7.058 7.058 8.030 -0.972 18793 406 1 2 . 1 1 29 29 ASP N N 29 123.008 123.008 119.009 3.999 18793 407 1 2 . 1 1 29 29 ASP C C 29 175.991 175.991 175.848 0.143 18793 408 1 2 . 1 1 29 29 ASP CA C 29 53.333 53.333 55.684 -2.351 18793 409 1 2 . 1 1 29 29 ASP CB C 29 39.889 39.889 39.675 0.214 18793 410 1 2 . 1 1 29 29 ASP H H 29 8.220 8.220 8.216 0.004 18793 411 1 2 . 1 1 30 30 VAL N N 30 119.570 119.570 114.901 4.669 18793 412 1 2 . 1 1 30 30 VAL C C 30 175.788 175.788 176.047 -0.259 18793 413 1 2 . 1 1 30 30 VAL CA C 30 61.332 61.332 63.165 -1.833 18793 414 1 2 . 1 1 30 30 VAL CB C 30 31.889 31.889 32.630 -0.741 18793 415 1 2 . 1 1 30 30 VAL H H 30 7.823 7.823 8.152 -0.329 18793 416 1 2 . 1 1 31 31 GLU N N 31 124.976 124.976 118.020 6.956 18793 417 1 2 . 1 1 31 31 GLU C C 31 176.229 176.229 177.277 -1.048 18793 418 1 2 . 1 1 31 31 GLU CA C 31 55.397 55.397 57.247 -1.850 18793 419 1 2 . 1 1 31 31 GLU CB C 31 28.704 28.704 28.611 0.093 18793 420 1 2 . 1 1 31 31 GLU H H 31 8.390 8.390 8.463 -0.073 18793 421 1 2 . 1 1 32 32 GLU N N 32 122.629 122.629 120.080 2.549 18793 422 1 2 . 1 1 32 32 GLU C C 32 175.788 175.788 178.445 -2.657 18793 423 1 2 . 1 1 32 32 GLU CA C 32 55.444 55.444 58.642 -3.198 18793 424 1 2 . 1 1 32 32 GLU CB C 32 29.001 29.001 29.887 -0.887 18793 425 1 2 . 1 1 32 32 GLU H H 32 8.307 8.307 8.316 -0.009 18793 426 1 2 . 1 1 33 33 ASN N N 33 119.996 119.996 116.735 3.261 18793 427 1 2 . 1 1 33 33 ASN C C 33 174.601 174.601 174.933 -0.332 18793 428 1 2 . 1 1 33 33 ASN CA C 33 52.555 52.555 53.280 -0.725 18793 429 1 2 . 1 1 33 33 ASN CB C 33 37.778 37.778 39.790 -2.012 18793 430 1 2 . 1 1 33 33 ASN H H 33 8.386 8.386 8.561 -0.175 18793 431 1 2 . 1 1 34 34 ARG N N 34 122.424 122.424 117.099 5.325 18793 432 1 2 . 1 1 34 34 ARG C C 34 176.195 176.195 175.972 0.223 18793 433 1 2 . 1 1 34 34 ARG CA C 34 55.332 55.332 57.260 -1.928 18793 434 1 2 . 1 1 34 34 ARG CB C 34 29.334 29.334 28.261 1.073 18793 435 1 2 . 1 1 34 34 ARG H H 34 8.211 8.211 8.571 -0.360 18793 436 1 2 . 1 1 35 35 THR N N 35 116.319 116.319 109.381 6.938 18793 437 1 2 . 1 1 35 35 THR C C 35 174.093 174.093 175.006 -0.913 18793 438 1 2 . 1 1 35 35 THR CA C 35 60.999 60.999 64.249 -3.250 18793 439 1 2 . 1 1 35 35 THR CB C 35 68.887 68.887 68.062 0.825 18793 440 1 2 . 1 1 35 35 THR H H 35 8.143 8.143 8.370 -0.227 18793 441 1 2 . 1 1 36 36 GLU N N 36 123.405 123.405 122.278 1.127 18793 442 1 2 . 1 1 36 36 GLU C C 36 175.279 175.279 175.030 0.249 18793 443 1 2 . 1 1 36 36 GLU CA C 36 55.397 55.397 55.983 -0.586 18793 444 1 2 . 1 1 36 36 GLU CB C 36 28.815 28.815 30.737 -1.922 18793 445 1 2 . 1 1 36 36 GLU H H 36 8.270 8.270 8.095 0.175 18793 446 1 2 . 1 1 37 37 ALA N N 37 126.500 126.500 123.671 2.829 18793 447 1 2 . 1 1 37 37 ALA C C 37 175.279 175.279 176.824 -1.545 18793 448 1 2 . 1 1 37 37 ALA CA C 37 49.638 49.638 52.038 -2.400 18793 449 1 2 . 1 1 37 37 ALA CB C 37 17.074 17.074 18.449 -1.375 18793 450 1 2 . 1 1 37 37 ALA H H 37 8.170 8.170 7.384 0.786 18793 451 1 2 . 1 1 39 39 GLU N N 39 121.397 121.397 117.122 4.275 18793 452 1 2 . 1 1 39 39 GLU C C 39 176.771 176.771 175.215 1.556 18793 453 1 2 . 1 1 39 39 GLU CA C 39 55.999 55.999 56.404 -0.405 18793 454 1 2 . 1 1 39 39 GLU CB C 39 29.001 29.001 28.929 0.072 18793 455 1 2 . 1 1 39 39 GLU H H 39 8.480 8.480 8.231 0.249 18793 456 1 2 . 1 1 40 40 GLY N N 40 110.587 110.587 107.958 2.629 18793 457 1 2 . 1 1 40 40 GLY C C 40 174.330 174.330 174.335 -0.005 18793 458 1 2 . 1 1 40 40 GLY CA C 40 44.555 44.555 45.522 -0.967 18793 459 1 2 . 1 1 40 40 GLY H H 40 8.388 8.388 8.329 0.059 18793 460 1 2 . 1 1 41 41 THR N N 41 113.357 113.357 113.268 0.089 18793 461 1 2 . 1 1 41 41 THR C C 41 175.279 175.279 174.699 0.580 18793 462 1 2 . 1 1 41 41 THR CA C 41 61.332 61.332 61.980 -0.648 18793 463 1 2 . 1 1 41 41 THR CB C 41 68.887 68.887 70.277 -1.390 18793 464 1 2 . 1 1 41 41 THR H H 41 8.072 8.072 7.731 0.341 18793 465 1 2 . 1 1 42 42 GLU N N 42 123.483 123.483 117.977 5.506 18793 466 1 2 . 1 1 42 42 GLU C C 42 177.076 177.076 176.227 0.849 18793 467 1 2 . 1 1 42 42 GLU CA C 42 56.505 56.505 57.686 -1.181 18793 468 1 2 . 1 1 42 42 GLU CB C 42 28.040 28.040 29.545 -1.505 18793 469 1 2 . 1 1 42 42 GLU H H 42 8.741 8.741 8.075 0.666 18793 470 1 2 . 1 1 43 43 SER N N 43 115.380 115.380 116.331 -0.951 18793 471 1 2 . 1 1 43 43 SER C C 43 175.483 175.483 175.248 0.235 18793 472 1 2 . 1 1 43 43 SER CA C 43 57.999 57.999 59.925 -1.926 18793 473 1 2 . 1 1 43 43 SER CB C 43 62.221 62.221 63.366 -1.145 18793 474 1 2 . 1 1 43 43 SER H H 43 8.297 8.297 8.227 0.070 18793 475 1 2 . 1 1 86 86 VAL N N 86 118.964 118.964 121.426 -2.462 18793 476 1 2 . 1 1 86 86 VAL C C 86 176.466 176.466 176.460 0.006 18793 477 1 2 . 1 1 86 86 VAL CA C 86 64.999 64.999 65.370 -0.370 18793 478 1 2 . 1 1 86 86 VAL CB C 86 30.112 30.112 32.136 -2.024 18793 479 1 2 . 1 1 86 86 VAL H H 86 7.342 7.342 8.476 -1.134 18793 480 1 2 . 1 1 87 87 LYS N N 87 118.061 118.061 120.357 -2.296 18793 481 1 2 . 1 1 87 87 LYS C C 87 178.669 178.669 178.575 0.094 18793 482 1 2 . 1 1 87 87 LYS CA C 87 58.443 58.443 59.487 -1.044 18793 483 1 2 . 1 1 87 87 LYS CB C 87 30.778 30.778 32.089 -1.310 18793 484 1 2 . 1 1 87 87 LYS H H 87 7.312 7.312 8.044 -0.732 18793 485 1 2 . 1 1 88 88 GLN N N 88 116.417 116.417 118.987 -2.570 18793 486 1 2 . 1 1 88 88 GLN C C 88 177.212 177.212 177.420 -0.208 18793 487 1 2 . 1 1 88 88 GLN CA C 88 57.888 57.888 58.818 -0.930 18793 488 1 2 . 1 1 88 88 GLN CB C 88 26.890 26.890 28.328 -1.438 18793 489 1 2 . 1 1 88 88 GLN H H 88 7.924 7.924 8.078 -0.154 18793 490 1 2 . 1 1 89 89 ALA N N 89 120.666 120.666 122.032 -1.366 18793 491 1 2 . 1 1 89 89 ALA C C 89 179.076 179.076 179.580 -0.504 18793 492 1 2 . 1 1 89 89 ALA CA C 89 53.999 53.999 54.652 -0.653 18793 493 1 2 . 1 1 89 89 ALA CB C 89 17.113 17.113 18.021 -0.908 18793 494 1 2 . 1 1 89 89 ALA H H 89 7.605 7.605 8.054 -0.449 18793 495 1 2 . 1 1 90 90 LEU N N 90 119.883 119.883 118.570 1.313 18793 496 1 2 . 1 1 90 90 LEU C C 90 179.178 179.178 178.934 0.244 18793 497 1 2 . 1 1 90 90 LEU CA C 90 57.332 57.332 57.428 -0.096 18793 498 1 2 . 1 1 90 90 LEU CB C 90 40.889 40.889 41.529 -0.640 18793 499 1 2 . 1 1 90 90 LEU H H 90 8.283 8.283 7.800 0.483 18793 500 1 2 . 1 1 91 91 ARG N N 91 118.692 118.692 119.635 -0.943 18793 501 1 2 . 1 1 91 91 ARG C C 91 178.432 178.432 178.698 -0.266 18793 502 1 2 . 1 1 91 91 ARG CA C 91 59.666 59.666 59.663 0.003 18793 503 1 2 . 1 1 91 91 ARG CB C 91 29.334 29.334 30.086 -0.752 18793 504 1 2 . 1 1 91 91 ARG H H 91 8.011 8.011 7.687 0.324 18793 505 1 2 . 1 1 92 92 GLU N N 92 116.799 116.799 118.713 -1.914 18793 506 1 2 . 1 1 92 92 GLU C C 92 179.788 179.788 178.905 0.883 18793 507 1 2 . 1 1 92 92 GLU CA C 92 58.110 58.110 58.815 -0.705 18793 508 1 2 . 1 1 92 92 GLU CB C 92 27.890 27.890 29.490 -1.600 18793 509 1 2 . 1 1 92 92 GLU H H 92 7.802 7.802 7.944 -0.142 18793 510 1 2 . 1 1 93 93 ALA N N 93 124.583 124.583 121.812 2.771 18793 511 1 2 . 1 1 93 93 ALA C C 93 180.161 180.161 180.291 -0.130 18793 512 1 2 . 1 1 93 93 ALA CA C 93 54.290 54.290 55.016 -0.726 18793 513 1 2 . 1 1 93 93 ALA CB C 93 18.071 18.071 18.383 -0.312 18793 514 1 2 . 1 1 93 93 ALA H H 93 8.795 8.795 8.130 0.665 18793 515 1 2 . 1 1 94 94 GLY N N 94 107.341 107.341 106.339 1.002 18793 516 1 2 . 1 1 94 94 GLY C C 94 175.673 175.673 175.444 0.229 18793 517 1 2 . 1 1 94 94 GLY CA C 94 46.333 46.333 47.255 -0.922 18793 518 1 2 . 1 1 94 94 GLY H H 94 8.949 8.949 8.086 0.863 18793 519 1 2 . 1 1 95 95 ASP N N 95 122.494 122.494 119.086 3.408 18793 520 1 2 . 1 1 95 95 ASP C C 95 175.822 175.822 176.282 -0.460 18793 521 1 2 . 1 1 95 95 ASP CA C 95 62.448 62.448 54.304 8.144 18793 522 1 2 . 1 1 95 95 ASP CB C 95 38.604 38.604 40.435 -1.831 18793 523 1 2 . 1 1 95 95 ASP H H 95 8.129 8.129 7.839 0.290 18793 524 1 2 . 1 1 96 96 GLU N N 96 123.198 123.198 120.609 2.589 18793 525 1 2 . 1 1 96 96 GLU C C 96 177.367 177.367 177.334 0.033 18793 526 1 2 . 1 1 96 96 GLU CA C 96 57.391 57.391 58.787 -1.396 18793 527 1 2 . 1 1 96 96 GLU CB C 96 27.929 27.929 30.366 -2.437 18793 528 1 2 . 1 1 96 96 GLU H H 96 8.691 8.691 8.015 0.676 18793 529 1 2 . 1 1 97 97 PHE N N 97 113.232 113.232 119.480 -6.248 18793 530 1 2 . 1 1 97 97 PHE C C 97 175.163 175.163 177.150 -1.987 18793 531 1 2 . 1 1 97 97 PHE CA C 97 61.888 61.888 60.242 1.646 18793 532 1 2 . 1 1 97 97 PHE H H 97 7.939 7.939 7.931 0.008 18793 533 1 3 . 1 1 1 1 MET N N 1 120.233 120.233 118.015 2.218 18793 534 1 3 . 1 1 1 1 MET C C 1 176.466 176.466 176.317 0.149 18793 535 1 3 . 1 1 1 1 MET CA C 1 54.999 54.999 56.380 -1.381 18793 536 1 3 . 1 1 1 1 MET CB C 1 31.334 31.334 33.072 -1.738 18793 537 1 3 . 1 1 1 1 MET H H 1 8.288 8.288 8.590 -0.302 18793 538 1 3 . 1 1 2 2 SER N N 2 117.150 117.150 110.282 6.868 18793 539 1 3 . 1 1 2 2 SER C C 2 175.585 175.585 175.410 0.175 18793 540 1 3 . 1 1 2 2 SER CA C 2 58.221 58.221 59.456 -1.235 18793 541 1 3 . 1 1 2 2 SER CB C 2 62.221 62.221 62.577 -0.356 18793 542 1 3 . 1 1 2 2 SER H H 2 8.191 8.191 8.803 -0.612 18793 543 1 3 . 1 1 3 3 GLN N N 3 122.952 122.952 120.664 2.288 18793 544 1 3 . 1 1 3 3 GLN C C 3 176.703 176.703 177.760 -1.057 18793 545 1 3 . 1 1 3 3 GLN CA C 3 55.888 55.888 58.998 -3.111 18793 546 1 3 . 1 1 3 3 GLN CB C 3 27.445 27.445 28.852 -1.407 18793 547 1 3 . 1 1 3 3 GLN H H 3 8.334 8.334 8.536 -0.202 18793 548 1 3 . 1 1 4 4 SER N N 4 117.024 117.024 113.156 3.868 18793 549 1 3 . 1 1 4 4 SER C C 4 176.059 176.059 176.174 -0.115 18793 550 1 3 . 1 1 4 4 SER CA C 4 59.443 59.443 60.698 -1.255 18793 551 1 3 . 1 1 4 4 SER CB C 4 61.888 61.888 62.593 -0.705 18793 552 1 3 . 1 1 4 4 SER H H 4 8.300 8.300 8.381 -0.081 18793 553 1 3 . 1 1 5 5 ASN N N 5 122.025 122.025 120.828 1.197 18793 554 1 3 . 1 1 5 5 ASN C C 5 177.049 177.049 177.865 -0.816 18793 555 1 3 . 1 1 5 5 ASN CA C 5 55.110 55.110 56.625 -1.515 18793 556 1 3 . 1 1 5 5 ASN CB C 5 37.454 37.454 38.202 -0.748 18793 557 1 3 . 1 1 5 5 ASN H H 5 8.517 8.517 8.693 -0.176 18793 558 1 3 . 1 1 6 6 ARG N N 6 119.117 119.117 119.334 -0.217 18793 559 1 3 . 1 1 6 6 ARG C C 6 177.144 177.144 178.721 -1.577 18793 560 1 3 . 1 1 6 6 ARG CA C 6 57.366 57.366 59.971 -2.605 18793 561 1 3 . 1 1 6 6 ARG CB C 6 28.348 28.348 30.207 -1.859 18793 562 1 3 . 1 1 6 6 ARG H H 6 8.194 8.194 7.628 0.566 18793 563 1 3 . 1 1 7 7 GLU N N 7 117.987 117.987 119.903 -1.916 18793 564 1 3 . 1 1 7 7 GLU C C 7 179.178 179.178 178.791 0.387 18793 565 1 3 . 1 1 7 7 GLU CA C 7 58.332 58.332 59.128 -0.796 18793 566 1 3 . 1 1 7 7 GLU CB C 7 28.112 28.112 29.568 -1.456 18793 567 1 3 . 1 1 7 7 GLU H H 7 7.902 7.902 7.628 0.274 18793 568 1 3 . 1 1 8 8 LEU N N 8 120.359 120.359 122.617 -2.258 18793 569 1 3 . 1 1 8 8 LEU C C 8 178.161 178.161 178.236 -0.075 18793 570 1 3 . 1 1 8 8 LEU CA C 8 56.999 56.999 58.584 -1.585 18793 571 1 3 . 1 1 8 8 LEU CB C 8 40.222 40.222 42.355 -2.133 18793 572 1 3 . 1 1 8 8 LEU H H 8 7.690 7.690 8.448 -0.758 18793 573 1 3 . 1 1 9 9 VAL N N 9 117.926 117.926 118.496 -0.570 18793 574 1 3 . 1 1 9 9 VAL C C 9 176.839 176.839 177.317 -0.478 18793 575 1 3 . 1 1 9 9 VAL CA C 9 66.554 66.554 66.003 0.551 18793 576 1 3 . 1 1 9 9 VAL CB C 9 31.001 31.001 31.932 -0.931 18793 577 1 3 . 1 1 9 9 VAL H H 9 7.512 7.512 8.285 -0.773 18793 578 1 3 . 1 1 10 10 VAL N N 10 117.730 117.730 119.751 -2.021 18793 579 1 3 . 1 1 10 10 VAL C C 10 178.364 178.364 178.031 0.333 18793 580 1 3 . 1 1 10 10 VAL CA C 10 65.999 65.999 66.435 -0.436 18793 581 1 3 . 1 1 10 10 VAL CB C 10 30.112 30.112 30.869 -0.757 18793 582 1 3 . 1 1 10 10 VAL H H 10 8.254 8.254 7.583 0.671 18793 583 1 3 . 1 1 11 11 ASP N N 11 121.346 121.346 121.273 0.073 18793 584 1 3 . 1 1 11 11 ASP C C 11 177.212 177.212 179.323 -2.111 18793 585 1 3 . 1 1 11 11 ASP CA C 11 57.999 57.999 57.759 0.240 18793 586 1 3 . 1 1 11 11 ASP CB C 11 42.111 42.111 40.839 1.272 18793 587 1 3 . 1 1 11 11 ASP H H 11 8.029 8.029 8.261 -0.232 18793 588 1 3 . 1 1 12 12 PHE N N 12 120.632 120.632 120.440 0.192 18793 589 1 3 . 1 1 12 12 PHE C C 12 177.890 177.890 178.067 -0.177 18793 590 1 3 . 1 1 12 12 PHE CA C 12 62.110 62.110 62.263 -0.153 18793 591 1 3 . 1 1 12 12 PHE CB C 12 38.778 38.778 39.275 -0.497 18793 592 1 3 . 1 1 12 12 PHE H H 12 8.120 8.120 8.428 -0.308 18793 593 1 3 . 1 1 13 13 LEU N N 13 117.068 117.068 119.825 -2.757 18793 594 1 3 . 1 1 13 13 LEU C C 13 179.280 179.280 179.264 0.016 18793 595 1 3 . 1 1 13 13 LEU CA C 13 57.555 57.555 58.173 -0.618 18793 596 1 3 . 1 1 13 13 LEU CB C 13 40.222 40.222 41.802 -1.580 18793 597 1 3 . 1 1 13 13 LEU H H 13 8.770 8.770 8.835 -0.065 18793 598 1 3 . 1 1 14 14 SER N N 14 114.398 114.398 115.162 -0.764 18793 599 1 3 . 1 1 14 14 SER C C 14 176.941 176.941 176.733 0.208 18793 600 1 3 . 1 1 14 14 SER CA C 14 61.777 61.777 61.624 0.153 18793 601 1 3 . 1 1 14 14 SER CB C 14 60.824 60.824 62.876 -2.052 18793 602 1 3 . 1 1 14 14 SER H H 14 8.407 8.407 8.698 -0.291 18793 603 1 3 . 1 1 15 15 TYR N N 15 125.435 125.435 124.985 0.450 18793 604 1 3 . 1 1 15 15 TYR C C 15 177.991 177.991 177.992 -0.001 18793 605 1 3 . 1 1 15 15 TYR CA C 15 59.274 59.274 61.971 -2.696 18793 606 1 3 . 1 1 15 15 TYR CB C 15 36.457 36.457 38.512 -2.055 18793 607 1 3 . 1 1 15 15 TYR H H 15 8.129 8.129 8.161 -0.032 18793 608 1 3 . 1 1 16 16 LYS N N 16 120.549 120.549 118.749 1.800 18793 609 1 3 . 1 1 16 16 LYS C C 16 180.127 180.127 179.528 0.599 18793 610 1 3 . 1 1 16 16 LYS CA C 16 56.221 56.221 58.692 -2.471 18793 611 1 3 . 1 1 16 16 LYS CB C 16 28.223 28.223 32.250 -4.027 18793 612 1 3 . 1 1 16 16 LYS H H 16 8.150 8.150 7.907 0.243 18793 613 1 3 . 1 1 17 17 LEU N N 17 118.843 118.843 119.873 -1.030 18793 614 1 3 . 1 1 17 17 LEU C C 17 179.653 179.653 179.086 0.567 18793 615 1 3 . 1 1 17 17 LEU CA C 17 57.777 57.777 57.392 0.386 18793 616 1 3 . 1 1 17 17 LEU CB C 17 39.667 39.667 42.287 -2.620 18793 617 1 3 . 1 1 17 17 LEU H H 17 8.581 8.581 8.086 0.495 18793 618 1 3 . 1 1 18 18 SER N N 18 117.814 117.814 115.323 2.491 18793 619 1 3 . 1 1 18 18 SER C C 18 178.297 178.297 176.056 2.241 18793 620 1 3 . 1 1 18 18 SER CA C 18 60.492 60.492 60.763 -0.271 18793 621 1 3 . 1 1 18 18 SER CB C 18 61.600 61.600 62.970 -1.370 18793 622 1 3 . 1 1 18 18 SER H H 18 8.272 8.272 8.305 -0.033 18793 623 1 3 . 1 1 19 19 GLN N N 19 123.182 123.182 119.087 4.095 18793 624 1 3 . 1 1 19 19 GLN C C 19 176.941 176.941 177.613 -0.672 18793 625 1 3 . 1 1 19 19 GLN CA C 19 57.666 57.666 58.337 -0.671 18793 626 1 3 . 1 1 19 19 GLN CB C 19 27.334 27.334 28.814 -1.480 18793 627 1 3 . 1 1 19 19 GLN H H 19 7.562 7.562 7.861 -0.299 18793 628 1 3 . 1 1 20 20 LYS N N 20 116.732 116.732 117.743 -1.011 18793 629 1 3 . 1 1 20 20 LYS C C 20 175.178 175.178 177.154 -1.976 18793 630 1 3 . 1 1 20 20 LYS CA C 20 52.999 52.999 56.470 -3.471 18793 631 1 3 . 1 1 20 20 LYS CB C 20 31.445 31.445 33.907 -2.462 18793 632 1 3 . 1 1 20 20 LYS H H 20 7.114 7.114 7.757 -0.643 18793 633 1 3 . 1 1 21 21 GLY N N 21 105.804 105.804 106.199 -0.395 18793 634 1 3 . 1 1 21 21 GLY C C 21 173.652 173.652 173.557 0.095 18793 635 1 3 . 1 1 21 21 GLY CA C 21 44.210 44.210 44.955 -0.745 18793 636 1 3 . 1 1 21 21 GLY H H 21 7.451 7.451 7.743 -0.292 18793 637 1 3 . 1 1 22 22 TYR N N 22 120.097 120.097 120.433 -0.336 18793 638 1 3 . 1 1 22 22 TYR C C 22 174.737 174.737 173.037 1.700 18793 639 1 3 . 1 1 22 22 TYR CA C 22 54.666 54.666 57.315 -2.649 18793 640 1 3 . 1 1 22 22 TYR CB C 22 39.667 39.667 40.192 -0.525 18793 641 1 3 . 1 1 22 22 TYR H H 22 7.769 7.769 7.685 0.084 18793 642 1 3 . 1 1 23 23 SER N N 23 115.275 115.275 118.557 -3.282 18793 643 1 3 . 1 1 23 23 SER C C 23 174.262 174.262 174.542 -0.280 18793 644 1 3 . 1 1 23 23 SER CA C 23 55.888 55.888 56.512 -0.624 18793 645 1 3 . 1 1 23 23 SER CB C 23 63.888 63.888 65.795 -1.907 18793 646 1 3 . 1 1 23 23 SER H H 23 8.483 8.483 8.150 0.333 18793 647 1 3 . 1 1 24 24 TRP N N 24 127.826 127.826 124.376 3.450 18793 648 1 3 . 1 1 24 24 TRP C C 24 176.669 176.669 177.861 -1.192 18793 649 1 3 . 1 1 24 24 TRP CA C 24 59.385 59.385 61.146 -1.761 18793 650 1 3 . 1 1 24 24 TRP CB C 24 29.479 29.479 29.758 -0.279 18793 651 1 3 . 1 1 24 24 TRP H H 24 8.928 8.928 9.163 -0.235 18793 652 1 3 . 1 1 25 25 SER N N 25 111.710 111.710 112.210 -0.500 18793 653 1 3 . 1 1 25 25 SER C C 25 174.974 174.974 176.560 -1.586 18793 654 1 3 . 1 1 25 25 SER CA C 25 59.332 59.332 60.690 -1.358 18793 655 1 3 . 1 1 25 25 SER CB C 25 61.888 61.888 62.613 -0.725 18793 656 1 3 . 1 1 25 25 SER H H 25 8.146 8.146 8.621 -0.475 18793 657 1 3 . 1 1 26 26 GLN N N 26 119.553 119.553 120.398 -0.845 18793 658 1 3 . 1 1 26 26 GLN C C 26 175.991 175.991 177.325 -1.334 18793 659 1 3 . 1 1 26 26 GLN CA C 26 56.332 56.332 58.454 -2.122 18793 660 1 3 . 1 1 26 26 GLN CB C 26 27.112 27.112 29.046 -1.934 18793 661 1 3 . 1 1 26 26 GLN H H 26 7.319 7.319 7.438 -0.119 18793 662 1 3 . 1 1 27 27 PHE N N 27 116.264 116.264 117.037 -0.773 18793 663 1 3 . 1 1 27 27 PHE C C 27 174.635 174.635 175.184 -0.549 18793 664 1 3 . 1 1 27 27 PHE CA C 27 55.555 55.555 58.478 -2.923 18793 665 1 3 . 1 1 27 27 PHE CB C 27 38.556 38.556 39.686 -1.130 18793 666 1 3 . 1 1 27 27 PHE H H 27 7.109 7.109 8.426 -1.317 18793 667 1 3 . 1 1 28 28 SER N N 28 114.011 114.011 114.465 -0.454 18793 668 1 3 . 1 1 28 28 SER C C 28 173.313 173.313 173.433 -0.120 18793 669 1 3 . 1 1 28 28 SER CA C 28 56.555 56.555 58.098 -1.543 18793 670 1 3 . 1 1 28 28 SER CB C 28 62.665 62.665 64.868 -2.203 18793 671 1 3 . 1 1 28 28 SER H H 28 7.058 7.058 7.552 -0.494 18793 672 1 3 . 1 1 29 29 ASP N N 29 123.008 123.008 122.149 0.859 18793 673 1 3 . 1 1 29 29 ASP C C 29 175.991 175.991 176.736 -0.745 18793 674 1 3 . 1 1 29 29 ASP CA C 29 53.333 53.333 55.075 -1.742 18793 675 1 3 . 1 1 29 29 ASP CB C 29 39.889 39.889 39.705 0.184 18793 676 1 3 . 1 1 29 29 ASP H H 29 8.220 8.220 7.903 0.317 18793 677 1 3 . 1 1 30 30 VAL N N 30 119.570 119.570 120.205 -0.635 18793 678 1 3 . 1 1 30 30 VAL C C 30 175.788 175.788 176.549 -0.761 18793 679 1 3 . 1 1 30 30 VAL CA C 30 61.332 61.332 65.031 -3.699 18793 680 1 3 . 1 1 30 30 VAL CB C 30 31.889 31.889 32.241 -0.352 18793 681 1 3 . 1 1 30 30 VAL H H 30 7.823 7.823 8.405 -0.582 18793 682 1 3 . 1 1 31 31 GLU N N 31 124.976 124.976 118.681 6.295 18793 683 1 3 . 1 1 31 31 GLU C C 31 176.229 176.229 176.009 0.220 18793 684 1 3 . 1 1 31 31 GLU CA C 31 55.397 55.397 57.093 -1.696 18793 685 1 3 . 1 1 31 31 GLU CB C 31 28.704 28.704 30.861 -2.157 18793 686 1 3 . 1 1 31 31 GLU H H 31 8.390 8.390 8.260 0.130 18793 687 1 3 . 1 1 32 32 GLU N N 32 122.629 122.629 116.866 5.763 18793 688 1 3 . 1 1 32 32 GLU C C 32 175.788 175.788 175.337 0.451 18793 689 1 3 . 1 1 32 32 GLU CA C 32 55.444 55.444 55.601 -0.157 18793 690 1 3 . 1 1 32 32 GLU CB C 32 29.001 29.001 30.051 -1.050 18793 691 1 3 . 1 1 32 32 GLU H H 32 8.307 8.307 8.398 -0.091 18793 692 1 3 . 1 1 33 33 ASN N N 33 119.996 119.996 116.759 3.237 18793 693 1 3 . 1 1 33 33 ASN C C 33 174.601 174.601 174.305 0.296 18793 694 1 3 . 1 1 33 33 ASN CA C 33 52.555 52.555 54.495 -1.940 18793 695 1 3 . 1 1 33 33 ASN CB C 33 37.778 37.778 37.873 -0.095 18793 696 1 3 . 1 1 33 33 ASN H H 33 8.386 8.386 8.141 0.245 18793 697 1 3 . 1 1 34 34 ARG N N 34 122.424 122.424 114.441 7.983 18793 698 1 3 . 1 1 34 34 ARG C C 34 176.195 176.195 174.525 1.670 18793 699 1 3 . 1 1 34 34 ARG CA C 34 55.332 55.332 56.433 -1.101 18793 700 1 3 . 1 1 34 34 ARG CB C 34 29.334 29.334 31.175 -1.841 18793 701 1 3 . 1 1 34 34 ARG H H 34 8.211 8.211 8.429 -0.218 18793 702 1 3 . 1 1 35 35 THR N N 35 116.319 116.319 109.608 6.711 18793 703 1 3 . 1 1 35 35 THR C C 35 174.093 174.093 173.415 0.678 18793 704 1 3 . 1 1 35 35 THR CA C 35 60.999 60.999 61.618 -0.619 18793 705 1 3 . 1 1 35 35 THR CB C 35 68.887 68.887 69.177 -0.289 18793 706 1 3 . 1 1 35 35 THR H H 35 8.143 8.143 7.856 0.287 18793 707 1 3 . 1 1 36 36 GLU N N 36 123.405 123.405 120.826 2.579 18793 708 1 3 . 1 1 36 36 GLU C C 36 175.279 175.279 175.198 0.081 18793 709 1 3 . 1 1 36 36 GLU CA C 36 55.397 55.397 56.725 -1.328 18793 710 1 3 . 1 1 36 36 GLU CB C 36 28.815 28.815 28.785 0.030 18793 711 1 3 . 1 1 36 36 GLU H H 36 8.270 8.270 8.532 -0.262 18793 712 1 3 . 1 1 37 37 ALA N N 37 126.500 126.500 121.284 5.216 18793 713 1 3 . 1 1 37 37 ALA C C 37 175.279 175.279 177.538 -2.259 18793 714 1 3 . 1 1 37 37 ALA CA C 37 49.638 49.638 51.638 -2.000 18793 715 1 3 . 1 1 37 37 ALA CB C 37 17.074 17.074 18.916 -1.842 18793 716 1 3 . 1 1 37 37 ALA H H 37 8.170 8.170 8.129 0.041 18793 717 1 3 . 1 1 39 39 GLU N N 39 121.397 121.397 118.061 3.336 18793 718 1 3 . 1 1 39 39 GLU C C 39 176.771 176.771 176.724 0.047 18793 719 1 3 . 1 1 39 39 GLU CA C 39 55.999 55.999 56.566 -0.567 18793 720 1 3 . 1 1 39 39 GLU CB C 39 29.001 29.001 31.390 -2.389 18793 721 1 3 . 1 1 39 39 GLU H H 39 8.480 8.480 8.550 -0.070 18793 722 1 3 . 1 1 40 40 GLY N N 40 110.587 110.587 106.959 3.628 18793 723 1 3 . 1 1 40 40 GLY C C 40 174.330 174.330 174.911 -0.581 18793 724 1 3 . 1 1 40 40 GLY CA C 40 44.555 44.555 44.986 -0.431 18793 725 1 3 . 1 1 40 40 GLY H H 40 8.388 8.388 8.461 -0.073 18793 726 1 3 . 1 1 41 41 THR N N 41 113.357 113.357 113.492 -0.135 18793 727 1 3 . 1 1 41 41 THR C C 41 175.279 175.279 174.277 1.002 18793 728 1 3 . 1 1 41 41 THR CA C 41 61.332 61.332 61.970 -0.638 18793 729 1 3 . 1 1 41 41 THR CB C 41 68.887 68.887 68.271 0.616 18793 730 1 3 . 1 1 41 41 THR H H 41 8.072 8.072 8.098 -0.026 18793 731 1 3 . 1 1 42 42 GLU N N 42 123.483 123.483 118.043 5.440 18793 732 1 3 . 1 1 42 42 GLU C C 42 177.076 177.076 176.608 0.468 18793 733 1 3 . 1 1 42 42 GLU CA C 42 56.505 56.505 57.104 -0.599 18793 734 1 3 . 1 1 42 42 GLU CB C 42 28.040 28.040 30.622 -2.582 18793 735 1 3 . 1 1 42 42 GLU H H 42 8.741 8.741 8.069 0.672 18793 736 1 3 . 1 1 43 43 SER N N 43 115.380 115.380 115.896 -0.516 18793 737 1 3 . 1 1 43 43 SER C C 43 175.483 175.483 175.330 0.153 18793 738 1 3 . 1 1 43 43 SER CA C 43 57.999 57.999 60.520 -2.521 18793 739 1 3 . 1 1 43 43 SER CB C 43 62.221 62.221 63.529 -1.308 18793 740 1 3 . 1 1 43 43 SER H H 43 8.297 8.297 8.239 0.058 18793 741 1 3 . 1 1 86 86 VAL N N 86 118.964 118.964 121.359 -2.395 18793 742 1 3 . 1 1 86 86 VAL C C 86 176.466 176.466 176.707 -0.241 18793 743 1 3 . 1 1 86 86 VAL CA C 86 64.999 64.999 65.545 -0.546 18793 744 1 3 . 1 1 86 86 VAL CB C 86 30.112 30.112 32.150 -2.038 18793 745 1 3 . 1 1 86 86 VAL H H 86 7.342 7.342 8.134 -0.792 18793 746 1 3 . 1 1 87 87 LYS N N 87 118.061 118.061 118.775 -0.714 18793 747 1 3 . 1 1 87 87 LYS C C 87 178.669 178.669 179.338 -0.669 18793 748 1 3 . 1 1 87 87 LYS CA C 87 58.443 58.443 59.863 -1.420 18793 749 1 3 . 1 1 87 87 LYS CB C 87 30.778 30.778 32.143 -1.365 18793 750 1 3 . 1 1 87 87 LYS H H 87 7.312 7.312 7.799 -0.487 18793 751 1 3 . 1 1 88 88 GLN N N 88 116.417 116.417 118.207 -1.790 18793 752 1 3 . 1 1 88 88 GLN C C 88 177.212 177.212 178.176 -0.964 18793 753 1 3 . 1 1 88 88 GLN CA C 88 57.888 57.888 58.298 -0.410 18793 754 1 3 . 1 1 88 88 GLN CB C 88 26.890 26.890 28.540 -1.650 18793 755 1 3 . 1 1 88 88 GLN H H 88 7.924 7.924 7.905 0.019 18793 756 1 3 . 1 1 89 89 ALA N N 89 120.666 120.666 123.300 -2.634 18793 757 1 3 . 1 1 89 89 ALA C C 89 179.076 179.076 179.348 -0.272 18793 758 1 3 . 1 1 89 89 ALA CA C 89 53.999 53.999 55.014 -1.015 18793 759 1 3 . 1 1 89 89 ALA CB C 89 17.113 17.113 17.912 -0.799 18793 760 1 3 . 1 1 89 89 ALA H H 89 7.605 7.605 8.420 -0.815 18793 761 1 3 . 1 1 90 90 LEU N N 90 119.883 119.883 118.212 1.671 18793 762 1 3 . 1 1 90 90 LEU C C 90 179.178 179.178 178.174 1.004 18793 763 1 3 . 1 1 90 90 LEU CA C 90 57.332 57.332 57.648 -0.316 18793 764 1 3 . 1 1 90 90 LEU CB C 90 40.889 40.889 41.363 -0.474 18793 765 1 3 . 1 1 90 90 LEU H H 90 8.283 8.283 7.517 0.766 18793 766 1 3 . 1 1 91 91 ARG N N 91 118.692 118.692 117.882 0.810 18793 767 1 3 . 1 1 91 91 ARG C C 91 178.432 178.432 178.650 -0.218 18793 768 1 3 . 1 1 91 91 ARG CA C 91 59.666 59.666 58.925 0.741 18793 769 1 3 . 1 1 91 91 ARG CB C 91 29.334 29.334 29.981 -0.647 18793 770 1 3 . 1 1 91 91 ARG H H 91 8.011 8.011 7.451 0.560 18793 771 1 3 . 1 1 92 92 GLU N N 92 116.799 116.799 120.356 -3.557 18793 772 1 3 . 1 1 92 92 GLU C C 92 179.788 179.788 178.616 1.172 18793 773 1 3 . 1 1 92 92 GLU CA C 92 58.110 58.110 59.380 -1.270 18793 774 1 3 . 1 1 92 92 GLU CB C 92 27.890 27.890 29.387 -1.497 18793 775 1 3 . 1 1 92 92 GLU H H 92 7.802 7.802 8.070 -0.268 18793 776 1 3 . 1 1 93 93 ALA N N 93 124.583 124.583 119.693 4.890 18793 777 1 3 . 1 1 93 93 ALA C C 93 180.161 180.161 180.062 0.099 18793 778 1 3 . 1 1 93 93 ALA CA C 93 54.290 54.290 53.922 0.368 18793 779 1 3 . 1 1 93 93 ALA CB C 93 18.071 18.071 18.515 -0.444 18793 780 1 3 . 1 1 93 93 ALA H H 93 8.795 8.795 8.117 0.678 18793 781 1 3 . 1 1 94 94 GLY N N 94 107.341 107.341 106.859 0.482 18793 782 1 3 . 1 1 94 94 GLY C C 94 175.673 175.673 175.516 0.157 18793 783 1 3 . 1 1 94 94 GLY CA C 94 46.333 46.333 47.353 -1.020 18793 784 1 3 . 1 1 94 94 GLY H H 94 8.949 8.949 8.170 0.779 18793 785 1 3 . 1 1 95 95 ASP N N 95 122.494 122.494 119.438 3.056 18793 786 1 3 . 1 1 95 95 ASP C C 95 175.822 175.822 177.206 -1.384 18793 787 1 3 . 1 1 95 95 ASP CA C 95 62.448 62.448 54.584 7.864 18793 788 1 3 . 1 1 95 95 ASP CB C 95 38.604 38.604 42.225 -3.621 18793 789 1 3 . 1 1 95 95 ASP H H 95 8.129 8.129 7.843 0.286 18793 790 1 3 . 1 1 96 96 GLU N N 96 123.198 123.198 120.604 2.594 18793 791 1 3 . 1 1 96 96 GLU C C 96 177.367 177.367 178.075 -0.708 18793 792 1 3 . 1 1 96 96 GLU CA C 96 57.391 57.391 57.884 -0.493 18793 793 1 3 . 1 1 96 96 GLU CB C 96 27.929 27.929 29.804 -1.875 18793 794 1 3 . 1 1 96 96 GLU H H 96 8.691 8.691 7.705 0.986 18793 795 1 3 . 1 1 97 97 PHE N N 97 113.232 113.232 116.704 -3.472 18793 796 1 3 . 1 1 97 97 PHE C C 97 175.163 175.163 176.495 -1.332 18793 797 1 3 . 1 1 97 97 PHE CA C 97 61.888 61.888 59.920 1.968 18793 798 1 3 . 1 1 97 97 PHE H H 97 7.939 7.939 8.443 -0.504 18793 799 1 4 . 1 1 1 1 MET N N 1 120.233 120.233 121.269 -1.036 18793 800 1 4 . 1 1 1 1 MET C C 1 176.466 176.466 174.920 1.546 18793 801 1 4 . 1 1 1 1 MET CA C 1 54.999 54.999 55.832 -0.833 18793 802 1 4 . 1 1 1 1 MET CB C 1 31.334 31.334 36.060 -4.726 18793 803 1 4 . 1 1 1 1 MET H H 1 8.288 8.288 8.933 -0.645 18793 804 1 4 . 1 1 2 2 SER N N 2 117.150 117.150 119.705 -2.555 18793 805 1 4 . 1 1 2 2 SER C C 2 175.585 175.585 174.831 0.754 18793 806 1 4 . 1 1 2 2 SER CA C 2 58.221 58.221 57.855 0.366 18793 807 1 4 . 1 1 2 2 SER CB C 2 62.221 62.221 63.415 -1.194 18793 808 1 4 . 1 1 2 2 SER H H 2 8.191 8.191 8.619 -0.428 18793 809 1 4 . 1 1 3 3 GLN N N 3 122.952 122.952 122.071 0.881 18793 810 1 4 . 1 1 3 3 GLN C C 3 176.703 176.703 177.927 -1.224 18793 811 1 4 . 1 1 3 3 GLN CA C 3 55.888 55.888 59.666 -3.779 18793 812 1 4 . 1 1 3 3 GLN CB C 3 27.445 27.445 28.964 -1.519 18793 813 1 4 . 1 1 3 3 GLN H H 3 8.334 8.334 8.210 0.123 18793 814 1 4 . 1 1 4 4 SER N N 4 117.024 117.024 113.739 3.285 18793 815 1 4 . 1 1 4 4 SER C C 4 176.059 176.059 175.912 0.147 18793 816 1 4 . 1 1 4 4 SER CA C 4 59.443 59.443 60.589 -1.146 18793 817 1 4 . 1 1 4 4 SER CB C 4 61.888 61.888 62.595 -0.707 18793 818 1 4 . 1 1 4 4 SER H H 4 8.300 8.300 8.743 -0.443 18793 819 1 4 . 1 1 5 5 ASN N N 5 122.025 122.025 120.859 1.166 18793 820 1 4 . 1 1 5 5 ASN C C 5 177.049 177.049 177.326 -0.277 18793 821 1 4 . 1 1 5 5 ASN CA C 5 55.110 55.110 56.519 -1.409 18793 822 1 4 . 1 1 5 5 ASN CB C 5 37.454 37.454 38.225 -0.771 18793 823 1 4 . 1 1 5 5 ASN H H 5 8.517 8.517 8.385 0.132 18793 824 1 4 . 1 1 6 6 ARG N N 6 119.117 119.117 120.378 -1.261 18793 825 1 4 . 1 1 6 6 ARG C C 6 177.144 177.144 178.559 -1.415 18793 826 1 4 . 1 1 6 6 ARG CA C 6 57.366 57.366 60.042 -2.676 18793 827 1 4 . 1 1 6 6 ARG CB C 6 28.348 28.348 30.334 -1.986 18793 828 1 4 . 1 1 6 6 ARG H H 6 8.194 8.194 7.779 0.415 18793 829 1 4 . 1 1 7 7 GLU N N 7 117.987 117.987 118.689 -0.702 18793 830 1 4 . 1 1 7 7 GLU C C 7 179.178 179.178 178.966 0.212 18793 831 1 4 . 1 1 7 7 GLU CA C 7 58.332 58.332 58.381 -0.049 18793 832 1 4 . 1 1 7 7 GLU CB C 7 28.112 28.112 29.038 -0.926 18793 833 1 4 . 1 1 7 7 GLU H H 7 7.902 7.902 7.835 0.067 18793 834 1 4 . 1 1 8 8 LEU N N 8 120.359 120.359 122.030 -1.671 18793 835 1 4 . 1 1 8 8 LEU C C 8 178.161 178.161 178.643 -0.482 18793 836 1 4 . 1 1 8 8 LEU CA C 8 56.999 56.999 58.648 -1.649 18793 837 1 4 . 1 1 8 8 LEU CB C 8 40.222 40.222 42.158 -1.936 18793 838 1 4 . 1 1 8 8 LEU H H 8 7.690 7.690 8.538 -0.848 18793 839 1 4 . 1 1 9 9 VAL N N 9 117.926 117.926 118.217 -0.291 18793 840 1 4 . 1 1 9 9 VAL C C 9 176.839 176.839 178.375 -1.536 18793 841 1 4 . 1 1 9 9 VAL CA C 9 66.554 66.554 66.091 0.463 18793 842 1 4 . 1 1 9 9 VAL CB C 9 31.001 31.001 30.658 0.343 18793 843 1 4 . 1 1 9 9 VAL H H 9 7.512 7.512 8.231 -0.719 18793 844 1 4 . 1 1 10 10 VAL N N 10 117.730 117.730 121.788 -4.058 18793 845 1 4 . 1 1 10 10 VAL C C 10 178.364 178.364 178.022 0.342 18793 846 1 4 . 1 1 10 10 VAL CA C 10 65.999 65.999 67.809 -1.810 18793 847 1 4 . 1 1 10 10 VAL CB C 10 30.112 30.112 31.195 -1.083 18793 848 1 4 . 1 1 10 10 VAL H H 10 8.254 8.254 8.024 0.230 18793 849 1 4 . 1 1 11 11 ASP N N 11 121.346 121.346 120.158 1.188 18793 850 1 4 . 1 1 11 11 ASP C C 11 177.212 177.212 178.534 -1.322 18793 851 1 4 . 1 1 11 11 ASP CA C 11 57.999 57.999 57.233 0.765 18793 852 1 4 . 1 1 11 11 ASP CB C 11 42.111 42.111 40.838 1.273 18793 853 1 4 . 1 1 11 11 ASP H H 11 8.029 8.029 8.110 -0.081 18793 854 1 4 . 1 1 12 12 PHE N N 12 120.632 120.632 119.009 1.623 18793 855 1 4 . 1 1 12 12 PHE C C 12 177.890 177.890 178.050 -0.160 18793 856 1 4 . 1 1 12 12 PHE CA C 12 62.110 62.110 61.925 0.185 18793 857 1 4 . 1 1 12 12 PHE CB C 12 38.778 38.778 38.819 -0.041 18793 858 1 4 . 1 1 12 12 PHE H H 12 8.120 8.120 7.856 0.264 18793 859 1 4 . 1 1 13 13 LEU N N 13 117.068 117.068 119.931 -2.863 18793 860 1 4 . 1 1 13 13 LEU C C 13 179.280 179.280 179.135 0.145 18793 861 1 4 . 1 1 13 13 LEU CA C 13 57.555 57.555 58.269 -0.714 18793 862 1 4 . 1 1 13 13 LEU CB C 13 40.222 40.222 40.977 -0.755 18793 863 1 4 . 1 1 13 13 LEU H H 13 8.770 8.770 8.905 -0.135 18793 864 1 4 . 1 1 14 14 SER N N 14 114.398 114.398 116.272 -1.874 18793 865 1 4 . 1 1 14 14 SER C C 14 176.941 176.941 177.448 -0.507 18793 866 1 4 . 1 1 14 14 SER CA C 14 61.777 61.777 61.917 -0.140 18793 867 1 4 . 1 1 14 14 SER CB C 14 60.824 60.824 63.014 -2.190 18793 868 1 4 . 1 1 14 14 SER H H 14 8.407 8.407 8.596 -0.189 18793 869 1 4 . 1 1 15 15 TYR N N 15 125.435 125.435 122.990 2.445 18793 870 1 4 . 1 1 15 15 TYR C C 15 177.991 177.991 178.212 -0.221 18793 871 1 4 . 1 1 15 15 TYR CA C 15 59.274 59.274 62.283 -3.009 18793 872 1 4 . 1 1 15 15 TYR CB C 15 36.457 36.457 38.356 -1.899 18793 873 1 4 . 1 1 15 15 TYR H H 15 8.129 8.129 8.842 -0.713 18793 874 1 4 . 1 1 16 16 LYS N N 16 120.549 120.549 119.822 0.727 18793 875 1 4 . 1 1 16 16 LYS C C 16 180.127 180.127 179.513 0.614 18793 876 1 4 . 1 1 16 16 LYS CA C 16 56.221 56.221 58.523 -2.302 18793 877 1 4 . 1 1 16 16 LYS CB C 16 28.223 28.223 32.303 -4.080 18793 878 1 4 . 1 1 16 16 LYS H H 16 8.150 8.150 7.912 0.238 18793 879 1 4 . 1 1 17 17 LEU N N 17 118.843 118.843 120.313 -1.470 18793 880 1 4 . 1 1 17 17 LEU C C 17 179.653 179.653 178.068 1.585 18793 881 1 4 . 1 1 17 17 LEU CA C 17 57.777 57.777 57.679 0.098 18793 882 1 4 . 1 1 17 17 LEU CB C 17 39.667 39.667 41.894 -2.227 18793 883 1 4 . 1 1 17 17 LEU H H 17 8.581 8.581 8.774 -0.193 18793 884 1 4 . 1 1 18 18 SER N N 18 117.814 117.814 115.161 2.653 18793 885 1 4 . 1 1 18 18 SER C C 18 178.297 178.297 176.627 1.670 18793 886 1 4 . 1 1 18 18 SER CA C 18 60.492 60.492 61.718 -1.226 18793 887 1 4 . 1 1 18 18 SER CB C 18 61.600 61.600 62.418 -0.818 18793 888 1 4 . 1 1 18 18 SER H H 18 8.272 8.272 8.202 0.070 18793 889 1 4 . 1 1 19 19 GLN N N 19 123.182 123.182 119.580 3.602 18793 890 1 4 . 1 1 19 19 GLN C C 19 176.941 176.941 177.824 -0.883 18793 891 1 4 . 1 1 19 19 GLN CA C 19 57.666 57.666 58.246 -0.580 18793 892 1 4 . 1 1 19 19 GLN CB C 19 27.334 27.334 28.799 -1.465 18793 893 1 4 . 1 1 19 19 GLN H H 19 7.562 7.562 7.602 -0.040 18793 894 1 4 . 1 1 20 20 LYS N N 20 116.732 116.732 118.833 -2.101 18793 895 1 4 . 1 1 20 20 LYS C C 20 175.178 175.178 177.205 -2.027 18793 896 1 4 . 1 1 20 20 LYS CA C 20 52.999 52.999 56.629 -3.630 18793 897 1 4 . 1 1 20 20 LYS CB C 20 31.445 31.445 33.744 -2.299 18793 898 1 4 . 1 1 20 20 LYS H H 20 7.114 7.114 7.793 -0.679 18793 899 1 4 . 1 1 21 21 GLY N N 21 105.804 105.804 105.729 0.075 18793 900 1 4 . 1 1 21 21 GLY C C 21 173.652 173.652 173.654 -0.002 18793 901 1 4 . 1 1 21 21 GLY CA C 21 44.210 44.210 44.930 -0.720 18793 902 1 4 . 1 1 21 21 GLY H H 21 7.451 7.451 7.838 -0.387 18793 903 1 4 . 1 1 22 22 TYR N N 22 120.097 120.097 120.193 -0.096 18793 904 1 4 . 1 1 22 22 TYR C C 22 174.737 174.737 173.291 1.446 18793 905 1 4 . 1 1 22 22 TYR CA C 22 54.666 54.666 57.881 -3.215 18793 906 1 4 . 1 1 22 22 TYR CB C 22 39.667 39.667 40.814 -1.147 18793 907 1 4 . 1 1 22 22 TYR H H 22 7.769 7.769 7.889 -0.120 18793 908 1 4 . 1 1 23 23 SER N N 23 115.275 115.275 121.010 -5.735 18793 909 1 4 . 1 1 23 23 SER C C 23 174.262 174.262 174.492 -0.230 18793 910 1 4 . 1 1 23 23 SER CA C 23 55.888 55.888 56.377 -0.489 18793 911 1 4 . 1 1 23 23 SER CB C 23 63.888 63.888 65.223 -1.335 18793 912 1 4 . 1 1 23 23 SER H H 23 8.483 8.483 7.945 0.538 18793 913 1 4 . 1 1 24 24 TRP N N 24 127.826 127.826 127.498 0.328 18793 914 1 4 . 1 1 24 24 TRP C C 24 176.669 176.669 175.824 0.845 18793 915 1 4 . 1 1 24 24 TRP CA C 24 59.385 59.385 58.964 0.421 18793 916 1 4 . 1 1 24 24 TRP CB C 24 29.479 29.479 29.766 -0.287 18793 917 1 4 . 1 1 24 24 TRP H H 24 8.928 8.928 9.123 -0.195 18793 918 1 4 . 1 1 25 25 SER N N 25 111.710 111.710 112.994 -1.284 18793 919 1 4 . 1 1 25 25 SER C C 25 174.974 174.974 173.472 1.502 18793 920 1 4 . 1 1 25 25 SER CA C 25 59.332 59.332 58.299 1.033 18793 921 1 4 . 1 1 25 25 SER CB C 25 61.888 61.888 64.279 -2.391 18793 922 1 4 . 1 1 25 25 SER H H 25 8.146 8.146 7.562 0.584 18793 923 1 4 . 1 1 26 26 GLN N N 26 119.553 119.553 117.377 2.176 18793 924 1 4 . 1 1 26 26 GLN C C 26 175.991 175.991 174.549 1.442 18793 925 1 4 . 1 1 26 26 GLN CA C 26 56.332 56.332 56.369 -0.037 18793 926 1 4 . 1 1 26 26 GLN CB C 26 27.112 27.112 25.619 1.493 18793 927 1 4 . 1 1 26 26 GLN H H 26 7.319 7.319 7.565 -0.246 18793 928 1 4 . 1 1 27 27 PHE N N 27 116.264 116.264 117.489 -1.225 18793 929 1 4 . 1 1 27 27 PHE C C 27 174.635 174.635 174.476 0.159 18793 930 1 4 . 1 1 27 27 PHE CA C 27 55.555 55.555 58.934 -3.378 18793 931 1 4 . 1 1 27 27 PHE CB C 27 38.556 38.556 38.042 0.514 18793 932 1 4 . 1 1 27 27 PHE H H 27 7.109 7.109 7.962 -0.853 18793 933 1 4 . 1 1 28 28 SER N N 28 114.011 114.011 112.824 1.187 18793 934 1 4 . 1 1 28 28 SER C C 28 173.313 173.313 174.739 -1.426 18793 935 1 4 . 1 1 28 28 SER CA C 28 56.555 56.555 58.723 -2.168 18793 936 1 4 . 1 1 28 28 SER CB C 28 62.665 62.665 63.072 -0.407 18793 937 1 4 . 1 1 28 28 SER H H 28 7.058 7.058 7.900 -0.842 18793 938 1 4 . 1 1 29 29 ASP N N 29 123.008 123.008 124.082 -1.074 18793 939 1 4 . 1 1 29 29 ASP C C 29 175.991 175.991 177.078 -1.087 18793 940 1 4 . 1 1 29 29 ASP CA C 29 53.333 53.333 57.337 -4.004 18793 941 1 4 . 1 1 29 29 ASP CB C 29 39.889 39.889 41.297 -1.408 18793 942 1 4 . 1 1 29 29 ASP H H 29 8.220 8.220 8.543 -0.323 18793 943 1 4 . 1 1 30 30 VAL N N 30 119.570 119.570 112.554 7.016 18793 944 1 4 . 1 1 30 30 VAL C C 30 175.788 175.788 174.065 1.723 18793 945 1 4 . 1 1 30 30 VAL CA C 30 61.332 61.332 64.347 -3.015 18793 946 1 4 . 1 1 30 30 VAL CB C 30 31.889 31.889 32.956 -1.067 18793 947 1 4 . 1 1 30 30 VAL H H 30 7.823 7.823 7.647 0.176 18793 948 1 4 . 1 1 31 31 GLU N N 31 124.976 124.976 115.575 9.401 18793 949 1 4 . 1 1 31 31 GLU C C 31 176.229 176.229 176.504 -0.275 18793 950 1 4 . 1 1 31 31 GLU CA C 31 55.397 55.397 57.092 -1.695 18793 951 1 4 . 1 1 31 31 GLU CB C 31 28.704 28.704 29.402 -0.698 18793 952 1 4 . 1 1 31 31 GLU H H 31 8.390 8.390 8.207 0.183 18793 953 1 4 . 1 1 32 32 GLU N N 32 122.629 122.629 118.003 4.626 18793 954 1 4 . 1 1 32 32 GLU C C 32 175.788 175.788 176.752 -0.964 18793 955 1 4 . 1 1 32 32 GLU CA C 32 55.444 55.444 56.604 -1.160 18793 956 1 4 . 1 1 32 32 GLU CB C 32 29.001 29.001 31.655 -2.654 18793 957 1 4 . 1 1 32 32 GLU H H 32 8.307 8.307 8.163 0.144 18793 958 1 4 . 1 1 33 33 ASN N N 33 119.996 119.996 117.525 2.471 18793 959 1 4 . 1 1 33 33 ASN C C 33 174.601 174.601 175.332 -0.731 18793 960 1 4 . 1 1 33 33 ASN CA C 33 52.555 52.555 55.512 -2.957 18793 961 1 4 . 1 1 33 33 ASN CB C 33 37.778 37.778 38.326 -0.548 18793 962 1 4 . 1 1 33 33 ASN H H 33 8.386 8.386 8.697 -0.311 18793 963 1 4 . 1 1 34 34 ARG N N 34 122.424 122.424 120.305 2.119 18793 964 1 4 . 1 1 34 34 ARG C C 34 176.195 176.195 175.335 0.860 18793 965 1 4 . 1 1 34 34 ARG CA C 34 55.332 55.332 56.550 -1.218 18793 966 1 4 . 1 1 34 34 ARG CB C 34 29.334 29.334 30.922 -1.588 18793 967 1 4 . 1 1 34 34 ARG H H 34 8.211 8.211 8.072 0.139 18793 968 1 4 . 1 1 35 35 THR N N 35 116.319 116.319 115.091 1.228 18793 969 1 4 . 1 1 35 35 THR C C 35 174.093 174.093 174.671 -0.578 18793 970 1 4 . 1 1 35 35 THR CA C 35 60.999 60.999 62.218 -1.219 18793 971 1 4 . 1 1 35 35 THR CB C 35 68.887 68.887 69.898 -1.011 18793 972 1 4 . 1 1 35 35 THR H H 35 8.143 8.143 8.251 -0.108 18793 973 1 4 . 1 1 36 36 GLU N N 36 123.405 123.405 122.662 0.743 18793 974 1 4 . 1 1 36 36 GLU C C 36 175.279 175.279 175.290 -0.011 18793 975 1 4 . 1 1 36 36 GLU CA C 36 55.397 55.397 56.944 -1.548 18793 976 1 4 . 1 1 36 36 GLU CB C 36 28.815 28.815 27.874 0.941 18793 977 1 4 . 1 1 36 36 GLU H H 36 8.270 8.270 8.695 -0.425 18793 978 1 4 . 1 1 37 37 ALA N N 37 126.500 126.500 123.569 2.931 18793 979 1 4 . 1 1 37 37 ALA C C 37 175.279 175.279 176.229 -0.950 18793 980 1 4 . 1 1 37 37 ALA CA C 37 49.638 49.638 51.843 -2.205 18793 981 1 4 . 1 1 37 37 ALA CB C 37 17.074 17.074 19.198 -2.123 18793 982 1 4 . 1 1 37 37 ALA H H 37 8.170 8.170 8.281 -0.111 18793 983 1 4 . 1 1 39 39 GLU N N 39 121.397 121.397 120.428 0.969 18793 984 1 4 . 1 1 39 39 GLU C C 39 176.771 176.771 176.867 -0.096 18793 985 1 4 . 1 1 39 39 GLU CA C 39 55.999 55.999 56.934 -0.935 18793 986 1 4 . 1 1 39 39 GLU CB C 39 29.001 29.001 29.889 -0.888 18793 987 1 4 . 1 1 39 39 GLU H H 39 8.480 8.480 8.292 0.188 18793 988 1 4 . 1 1 40 40 GLY N N 40 110.587 110.587 108.178 2.409 18793 989 1 4 . 1 1 40 40 GLY C C 40 174.330 174.330 175.182 -0.852 18793 990 1 4 . 1 1 40 40 GLY CA C 40 44.555 44.555 45.008 -0.453 18793 991 1 4 . 1 1 40 40 GLY H H 40 8.388 8.388 8.445 -0.057 18793 992 1 4 . 1 1 41 41 THR N N 41 113.357 113.357 113.547 -0.190 18793 993 1 4 . 1 1 41 41 THR C C 41 175.279 175.279 173.772 1.507 18793 994 1 4 . 1 1 41 41 THR CA C 41 61.332 61.332 63.244 -1.912 18793 995 1 4 . 1 1 41 41 THR CB C 41 68.887 68.887 68.678 0.209 18793 996 1 4 . 1 1 41 41 THR H H 41 8.072 8.072 8.521 -0.449 18793 997 1 4 . 1 1 42 42 GLU N N 42 123.483 123.483 119.899 3.584 18793 998 1 4 . 1 1 42 42 GLU C C 42 177.076 177.076 177.158 -0.082 18793 999 1 4 . 1 1 42 42 GLU CA C 42 56.505 56.505 57.455 -0.949 18793 1000 1 4 . 1 1 42 42 GLU CB C 42 28.040 28.040 30.344 -2.304 18793 1001 1 4 . 1 1 42 42 GLU H H 42 8.741 8.741 8.126 0.615 18793 1002 1 4 . 1 1 43 43 SER N N 43 115.380 115.380 114.757 0.623 18793 1003 1 4 . 1 1 43 43 SER C C 43 175.483 175.483 175.026 0.457 18793 1004 1 4 . 1 1 43 43 SER CA C 43 57.999 57.999 60.572 -2.573 18793 1005 1 4 . 1 1 43 43 SER CB C 43 62.221 62.221 63.347 -1.126 18793 1006 1 4 . 1 1 43 43 SER H H 43 8.297 8.297 8.281 0.016 18793 1007 1 4 . 1 1 86 86 VAL N N 86 118.964 118.964 121.422 -2.458 18793 1008 1 4 . 1 1 86 86 VAL C C 86 176.466 176.466 176.262 0.204 18793 1009 1 4 . 1 1 86 86 VAL CA C 86 64.999 64.999 65.949 -0.950 18793 1010 1 4 . 1 1 86 86 VAL CB C 86 30.112 30.112 32.044 -1.932 18793 1011 1 4 . 1 1 86 86 VAL H H 86 7.342 7.342 8.196 -0.854 18793 1012 1 4 . 1 1 87 87 LYS N N 87 118.061 118.061 118.201 -0.140 18793 1013 1 4 . 1 1 87 87 LYS C C 87 178.669 178.669 178.418 0.251 18793 1014 1 4 . 1 1 87 87 LYS CA C 87 58.443 58.443 59.207 -0.764 18793 1015 1 4 . 1 1 87 87 LYS CB C 87 30.778 30.778 31.572 -0.794 18793 1016 1 4 . 1 1 87 87 LYS H H 87 7.312 7.312 7.742 -0.430 18793 1017 1 4 . 1 1 88 88 GLN N N 88 116.417 116.417 120.395 -3.978 18793 1018 1 4 . 1 1 88 88 GLN C C 88 177.212 177.212 177.914 -0.702 18793 1019 1 4 . 1 1 88 88 GLN CA C 88 57.888 57.888 58.546 -0.658 18793 1020 1 4 . 1 1 88 88 GLN CB C 88 26.890 26.890 28.701 -1.811 18793 1021 1 4 . 1 1 88 88 GLN H H 88 7.924 7.924 7.580 0.344 18793 1022 1 4 . 1 1 89 89 ALA N N 89 120.666 120.666 122.588 -1.922 18793 1023 1 4 . 1 1 89 89 ALA C C 89 179.076 179.076 179.090 -0.014 18793 1024 1 4 . 1 1 89 89 ALA CA C 89 53.999 53.999 54.927 -0.928 18793 1025 1 4 . 1 1 89 89 ALA CB C 89 17.113 17.113 18.312 -1.199 18793 1026 1 4 . 1 1 89 89 ALA H H 89 7.605 7.605 8.515 -0.910 18793 1027 1 4 . 1 1 90 90 LEU N N 90 119.883 119.883 119.315 0.568 18793 1028 1 4 . 1 1 90 90 LEU C C 90 179.178 179.178 178.040 1.138 18793 1029 1 4 . 1 1 90 90 LEU CA C 90 57.332 57.332 57.425 -0.093 18793 1030 1 4 . 1 1 90 90 LEU CB C 90 40.889 40.889 42.017 -1.128 18793 1031 1 4 . 1 1 90 90 LEU H H 90 8.283 8.283 8.334 -0.051 18793 1032 1 4 . 1 1 91 91 ARG N N 91 118.692 118.692 118.755 -0.063 18793 1033 1 4 . 1 1 91 91 ARG C C 91 178.432 178.432 178.866 -0.434 18793 1034 1 4 . 1 1 91 91 ARG CA C 91 59.666 59.666 59.407 0.259 18793 1035 1 4 . 1 1 91 91 ARG CB C 91 29.334 29.334 29.724 -0.390 18793 1036 1 4 . 1 1 91 91 ARG H H 91 8.011 8.011 7.560 0.451 18793 1037 1 4 . 1 1 92 92 GLU N N 92 116.799 116.799 119.186 -2.387 18793 1038 1 4 . 1 1 92 92 GLU C C 92 179.788 179.788 178.772 1.016 18793 1039 1 4 . 1 1 92 92 GLU CA C 92 58.110 58.110 59.015 -0.905 18793 1040 1 4 . 1 1 92 92 GLU CB C 92 27.890 27.890 29.843 -1.953 18793 1041 1 4 . 1 1 92 92 GLU H H 92 7.802 7.802 7.716 0.086 18793 1042 1 4 . 1 1 93 93 ALA N N 93 124.583 124.583 120.074 4.509 18793 1043 1 4 . 1 1 93 93 ALA C C 93 180.161 180.161 179.339 0.822 18793 1044 1 4 . 1 1 93 93 ALA CA C 93 54.290 54.290 53.747 0.543 18793 1045 1 4 . 1 1 93 93 ALA CB C 93 18.071 18.071 18.086 -0.015 18793 1046 1 4 . 1 1 93 93 ALA H H 93 8.795 8.795 8.020 0.775 18793 1047 1 4 . 1 1 94 94 GLY N N 94 107.341 107.341 107.759 -0.418 18793 1048 1 4 . 1 1 94 94 GLY C C 94 175.673 175.673 176.035 -0.362 18793 1049 1 4 . 1 1 94 94 GLY CA C 94 46.333 46.333 47.131 -0.798 18793 1050 1 4 . 1 1 94 94 GLY H H 94 8.949 8.949 7.932 1.017 18793 1051 1 4 . 1 1 95 95 ASP N N 95 122.494 122.494 120.573 1.921 18793 1052 1 4 . 1 1 95 95 ASP C C 95 175.822 175.822 176.853 -1.031 18793 1053 1 4 . 1 1 95 95 ASP CA C 95 62.448 62.448 56.512 5.936 18793 1054 1 4 . 1 1 95 95 ASP CB C 95 38.604 38.604 41.036 -2.432 18793 1055 1 4 . 1 1 95 95 ASP H H 95 8.129 8.129 7.778 0.351 18793 1056 1 4 . 1 1 96 96 GLU N N 96 123.198 123.198 118.701 4.497 18793 1057 1 4 . 1 1 96 96 GLU C C 96 177.367 177.367 177.802 -0.435 18793 1058 1 4 . 1 1 96 96 GLU CA C 96 57.391 57.391 57.671 -0.280 18793 1059 1 4 . 1 1 96 96 GLU CB C 96 27.929 27.929 29.428 -1.499 18793 1060 1 4 . 1 1 96 96 GLU H H 96 8.691 8.691 7.579 1.112 18793 1061 1 4 . 1 1 97 97 PHE N N 97 113.232 113.232 118.573 -5.341 18793 1062 1 4 . 1 1 97 97 PHE C C 97 175.163 175.163 177.899 -2.736 18793 1063 1 4 . 1 1 97 97 PHE CA C 97 61.888 61.888 59.055 2.833 18793 1064 1 4 . 1 1 97 97 PHE H H 97 7.939 7.939 7.472 0.467 18793 1065 1 5 . 1 1 1 1 MET N N 1 120.233 120.233 116.857 3.376 18793 1066 1 5 . 1 1 1 1 MET C C 1 176.466 176.466 176.881 -0.415 18793 1067 1 5 . 1 1 1 1 MET CA C 1 54.999 54.999 57.869 -2.870 18793 1068 1 5 . 1 1 1 1 MET CB C 1 31.334 31.334 31.985 -0.651 18793 1069 1 5 . 1 1 1 1 MET H H 1 8.288 8.288 8.822 -0.534 18793 1070 1 5 . 1 1 2 2 SER N N 2 117.150 117.150 115.228 1.922 18793 1071 1 5 . 1 1 2 2 SER C C 2 175.585 175.585 174.446 1.139 18793 1072 1 5 . 1 1 2 2 SER CA C 2 58.221 58.221 58.740 -0.519 18793 1073 1 5 . 1 1 2 2 SER CB C 2 62.221 62.221 62.754 -0.533 18793 1074 1 5 . 1 1 2 2 SER H H 2 8.191 8.191 8.163 0.028 18793 1075 1 5 . 1 1 3 3 GLN N N 3 122.952 122.952 121.788 1.164 18793 1076 1 5 . 1 1 3 3 GLN C C 3 176.703 176.703 177.659 -0.956 18793 1077 1 5 . 1 1 3 3 GLN CA C 3 55.888 55.888 59.416 -3.528 18793 1078 1 5 . 1 1 3 3 GLN CB C 3 27.445 27.445 29.170 -1.725 18793 1079 1 5 . 1 1 3 3 GLN H H 3 8.334 8.334 7.557 0.777 18793 1080 1 5 . 1 1 4 4 SER N N 4 117.024 117.024 113.515 3.509 18793 1081 1 5 . 1 1 4 4 SER C C 4 176.059 176.059 176.175 -0.116 18793 1082 1 5 . 1 1 4 4 SER CA C 4 59.443 59.443 61.256 -1.813 18793 1083 1 5 . 1 1 4 4 SER CB C 4 61.888 61.888 62.474 -0.586 18793 1084 1 5 . 1 1 4 4 SER H H 4 8.300 8.300 8.521 -0.221 18793 1085 1 5 . 1 1 5 5 ASN N N 5 122.025 122.025 120.806 1.219 18793 1086 1 5 . 1 1 5 5 ASN C C 5 177.049 177.049 177.381 -0.332 18793 1087 1 5 . 1 1 5 5 ASN CA C 5 55.110 55.110 56.020 -0.910 18793 1088 1 5 . 1 1 5 5 ASN CB C 5 37.454 37.454 38.388 -0.934 18793 1089 1 5 . 1 1 5 5 ASN H H 5 8.517 8.517 8.553 -0.036 18793 1090 1 5 . 1 1 6 6 ARG N N 6 119.117 119.117 119.821 -0.704 18793 1091 1 5 . 1 1 6 6 ARG C C 6 177.144 177.144 177.965 -0.821 18793 1092 1 5 . 1 1 6 6 ARG CA C 6 57.366 57.366 60.757 -3.391 18793 1093 1 5 . 1 1 6 6 ARG CB C 6 28.348 28.348 30.170 -1.822 18793 1094 1 5 . 1 1 6 6 ARG H H 6 8.194 8.194 7.450 0.744 18793 1095 1 5 . 1 1 7 7 GLU N N 7 117.987 117.987 119.330 -1.343 18793 1096 1 5 . 1 1 7 7 GLU C C 7 179.178 179.178 179.123 0.055 18793 1097 1 5 . 1 1 7 7 GLU CA C 7 58.332 58.332 60.261 -1.929 18793 1098 1 5 . 1 1 7 7 GLU CB C 7 28.112 28.112 28.919 -0.807 18793 1099 1 5 . 1 1 7 7 GLU H H 7 7.902 7.902 8.081 -0.179 18793 1100 1 5 . 1 1 8 8 LEU N N 8 120.359 120.359 120.480 -0.121 18793 1101 1 5 . 1 1 8 8 LEU C C 8 178.161 178.161 178.722 -0.561 18793 1102 1 5 . 1 1 8 8 LEU CA C 8 56.999 56.999 58.433 -1.434 18793 1103 1 5 . 1 1 8 8 LEU CB C 8 40.222 40.222 42.291 -2.069 18793 1104 1 5 . 1 1 8 8 LEU H H 8 7.690 7.690 7.787 -0.097 18793 1105 1 5 . 1 1 9 9 VAL N N 9 117.926 117.926 118.647 -0.721 18793 1106 1 5 . 1 1 9 9 VAL C C 9 176.839 176.839 178.256 -1.417 18793 1107 1 5 . 1 1 9 9 VAL CA C 9 66.554 66.554 66.403 0.151 18793 1108 1 5 . 1 1 9 9 VAL CB C 9 31.001 31.001 31.005 -0.004 18793 1109 1 5 . 1 1 9 9 VAL H H 9 7.512 7.512 7.957 -0.445 18793 1110 1 5 . 1 1 10 10 VAL N N 10 117.730 117.730 120.658 -2.928 18793 1111 1 5 . 1 1 10 10 VAL C C 10 178.364 178.364 178.462 -0.098 18793 1112 1 5 . 1 1 10 10 VAL CA C 10 65.999 65.999 67.309 -1.310 18793 1113 1 5 . 1 1 10 10 VAL CB C 10 30.112 30.112 30.780 -0.668 18793 1114 1 5 . 1 1 10 10 VAL H H 10 8.254 8.254 8.762 -0.508 18793 1115 1 5 . 1 1 11 11 ASP N N 11 121.346 121.346 121.256 0.090 18793 1116 1 5 . 1 1 11 11 ASP C C 11 177.212 177.212 178.610 -1.398 18793 1117 1 5 . 1 1 11 11 ASP CA C 11 57.999 57.999 58.166 -0.167 18793 1118 1 5 . 1 1 11 11 ASP CB C 11 42.111 42.111 41.001 1.110 18793 1119 1 5 . 1 1 11 11 ASP H H 11 8.029 8.029 8.587 -0.558 18793 1120 1 5 . 1 1 12 12 PHE N N 12 120.632 120.632 120.802 -0.170 18793 1121 1 5 . 1 1 12 12 PHE C C 12 177.890 177.890 177.552 0.338 18793 1122 1 5 . 1 1 12 12 PHE CA C 12 62.110 62.110 60.881 1.229 18793 1123 1 5 . 1 1 12 12 PHE CB C 12 38.778 38.778 39.320 -0.542 18793 1124 1 5 . 1 1 12 12 PHE H H 12 8.120 8.120 7.765 0.355 18793 1125 1 5 . 1 1 13 13 LEU N N 13 117.068 117.068 120.842 -3.774 18793 1126 1 5 . 1 1 13 13 LEU C C 13 179.280 179.280 178.905 0.375 18793 1127 1 5 . 1 1 13 13 LEU CA C 13 57.555 57.555 58.519 -0.964 18793 1128 1 5 . 1 1 13 13 LEU CB C 13 40.222 40.222 40.860 -0.638 18793 1129 1 5 . 1 1 13 13 LEU H H 13 8.770 8.770 9.025 -0.255 18793 1130 1 5 . 1 1 14 14 SER N N 14 114.398 114.398 114.100 0.298 18793 1131 1 5 . 1 1 14 14 SER C C 14 176.941 176.941 176.599 0.342 18793 1132 1 5 . 1 1 14 14 SER CA C 14 61.777 61.777 61.304 0.473 18793 1133 1 5 . 1 1 14 14 SER CB C 14 60.824 60.824 63.148 -2.324 18793 1134 1 5 . 1 1 14 14 SER H H 14 8.407 8.407 8.548 -0.141 18793 1135 1 5 . 1 1 15 15 TYR N N 15 125.435 125.435 121.871 3.564 18793 1136 1 5 . 1 1 15 15 TYR C C 15 177.991 177.991 177.454 0.537 18793 1137 1 5 . 1 1 15 15 TYR CA C 15 59.274 59.274 61.379 -2.105 18793 1138 1 5 . 1 1 15 15 TYR CB C 15 36.457 36.457 38.201 -1.744 18793 1139 1 5 . 1 1 15 15 TYR H H 15 8.129 8.129 7.591 0.538 18793 1140 1 5 . 1 1 16 16 LYS N N 16 120.549 120.549 119.435 1.114 18793 1141 1 5 . 1 1 16 16 LYS C C 16 180.127 180.127 179.363 0.764 18793 1142 1 5 . 1 1 16 16 LYS CA C 16 56.221 56.221 58.764 -2.543 18793 1143 1 5 . 1 1 16 16 LYS CB C 16 28.223 28.223 32.226 -4.003 18793 1144 1 5 . 1 1 16 16 LYS H H 16 8.150 8.150 7.514 0.636 18793 1145 1 5 . 1 1 17 17 LEU N N 17 118.843 118.843 120.025 -1.182 18793 1146 1 5 . 1 1 17 17 LEU C C 17 179.653 179.653 178.275 1.378 18793 1147 1 5 . 1 1 17 17 LEU CA C 17 57.777 57.777 57.224 0.553 18793 1148 1 5 . 1 1 17 17 LEU CB C 17 39.667 39.667 41.363 -1.696 18793 1149 1 5 . 1 1 17 17 LEU H H 17 8.581 8.581 8.491 0.090 18793 1150 1 5 . 1 1 18 18 SER N N 18 117.814 117.814 115.056 2.758 18793 1151 1 5 . 1 1 18 18 SER C C 18 178.297 178.297 177.126 1.171 18793 1152 1 5 . 1 1 18 18 SER CA C 18 60.492 60.492 61.651 -1.159 18793 1153 1 5 . 1 1 18 18 SER CB C 18 61.600 61.600 62.736 -1.136 18793 1154 1 5 . 1 1 18 18 SER H H 18 8.272 8.272 8.177 0.095 18793 1155 1 5 . 1 1 19 19 GLN N N 19 123.182 123.182 120.098 3.084 18793 1156 1 5 . 1 1 19 19 GLN C C 19 176.941 176.941 177.467 -0.526 18793 1157 1 5 . 1 1 19 19 GLN CA C 19 57.666 57.666 58.314 -0.648 18793 1158 1 5 . 1 1 19 19 GLN CB C 19 27.334 27.334 28.638 -1.304 18793 1159 1 5 . 1 1 19 19 GLN H H 19 7.562 7.562 7.703 -0.141 18793 1160 1 5 . 1 1 20 20 LYS N N 20 116.732 116.732 117.188 -0.456 18793 1161 1 5 . 1 1 20 20 LYS C C 20 175.178 175.178 176.739 -1.561 18793 1162 1 5 . 1 1 20 20 LYS CA C 20 52.999 52.999 56.463 -3.464 18793 1163 1 5 . 1 1 20 20 LYS CB C 20 31.445 31.445 33.220 -1.775 18793 1164 1 5 . 1 1 20 20 LYS H H 20 7.114 7.114 7.534 -0.420 18793 1165 1 5 . 1 1 21 21 GLY N N 21 105.804 105.804 107.079 -1.275 18793 1166 1 5 . 1 1 21 21 GLY C C 21 173.652 173.652 173.896 -0.244 18793 1167 1 5 . 1 1 21 21 GLY CA C 21 44.210 44.210 45.286 -1.076 18793 1168 1 5 . 1 1 21 21 GLY H H 21 7.451 7.451 7.672 -0.221 18793 1169 1 5 . 1 1 22 22 TYR N N 22 120.097 120.097 120.089 0.008 18793 1170 1 5 . 1 1 22 22 TYR C C 22 174.737 174.737 173.237 1.500 18793 1171 1 5 . 1 1 22 22 TYR CA C 22 54.666 54.666 57.219 -2.553 18793 1172 1 5 . 1 1 22 22 TYR CB C 22 39.667 39.667 40.420 -0.754 18793 1173 1 5 . 1 1 22 22 TYR H H 22 7.769 7.769 7.507 0.262 18793 1174 1 5 . 1 1 23 23 SER N N 23 115.275 115.275 119.579 -4.304 18793 1175 1 5 . 1 1 23 23 SER C C 23 174.262 174.262 173.359 0.903 18793 1176 1 5 . 1 1 23 23 SER CA C 23 55.888 55.888 56.659 -0.771 18793 1177 1 5 . 1 1 23 23 SER CB C 23 63.888 63.888 65.318 -1.430 18793 1178 1 5 . 1 1 23 23 SER H H 23 8.483 8.483 7.875 0.608 18793 1179 1 5 . 1 1 24 24 TRP N N 24 127.826 127.826 121.891 5.935 18793 1180 1 5 . 1 1 24 24 TRP C C 24 176.669 176.669 176.532 0.137 18793 1181 1 5 . 1 1 24 24 TRP CA C 24 59.385 59.385 59.392 -0.007 18793 1182 1 5 . 1 1 24 24 TRP CB C 24 29.479 29.479 28.853 0.626 18793 1183 1 5 . 1 1 24 24 TRP H H 24 8.928 8.928 8.005 0.923 18793 1184 1 5 . 1 1 25 25 SER N N 25 111.710 111.710 115.013 -3.303 18793 1185 1 5 . 1 1 25 25 SER C C 25 174.974 174.974 175.040 -0.066 18793 1186 1 5 . 1 1 25 25 SER CA C 25 59.332 59.332 58.944 0.388 18793 1187 1 5 . 1 1 25 25 SER CB C 25 61.888 61.888 63.454 -1.566 18793 1188 1 5 . 1 1 25 25 SER H H 25 8.146 8.146 7.501 0.645 18793 1189 1 5 . 1 1 26 26 GLN N N 26 119.553 119.553 117.006 2.547 18793 1190 1 5 . 1 1 26 26 GLN C C 26 175.991 175.991 175.048 0.943 18793 1191 1 5 . 1 1 26 26 GLN CA C 26 56.332 56.332 57.449 -1.117 18793 1192 1 5 . 1 1 26 26 GLN CB C 26 27.112 27.112 26.627 0.485 18793 1193 1 5 . 1 1 26 26 GLN H H 26 7.319 7.319 8.335 -1.016 18793 1194 1 5 . 1 1 27 27 PHE N N 27 116.264 116.264 117.267 -1.003 18793 1195 1 5 . 1 1 27 27 PHE C C 27 174.635 174.635 174.069 0.566 18793 1196 1 5 . 1 1 27 27 PHE CA C 27 55.555 55.555 58.791 -3.236 18793 1197 1 5 . 1 1 27 27 PHE CB C 27 38.556 38.556 40.111 -1.555 18793 1198 1 5 . 1 1 27 27 PHE H H 27 7.109 7.109 8.157 -1.048 18793 1199 1 5 . 1 1 28 28 SER N N 28 114.011 114.011 115.977 -1.966 18793 1200 1 5 . 1 1 28 28 SER C C 28 173.313 173.313 174.402 -1.089 18793 1201 1 5 . 1 1 28 28 SER CA C 28 56.555 56.555 59.236 -2.681 18793 1202 1 5 . 1 1 28 28 SER CB C 28 62.665 62.665 61.870 0.795 18793 1203 1 5 . 1 1 28 28 SER H H 28 7.058 7.058 8.342 -1.284 18793 1204 1 5 . 1 1 29 29 ASP N N 29 123.008 123.008 122.164 0.844 18793 1205 1 5 . 1 1 29 29 ASP C C 29 175.991 175.991 177.243 -1.252 18793 1206 1 5 . 1 1 29 29 ASP CA C 29 53.333 53.333 55.643 -2.310 18793 1207 1 5 . 1 1 29 29 ASP CB C 29 39.889 39.889 41.220 -1.331 18793 1208 1 5 . 1 1 29 29 ASP H H 29 8.220 8.220 8.825 -0.605 18793 1209 1 5 . 1 1 30 30 VAL N N 30 119.570 119.570 113.726 5.844 18793 1210 1 5 . 1 1 30 30 VAL C C 30 175.788 175.788 174.463 1.325 18793 1211 1 5 . 1 1 30 30 VAL CA C 30 61.332 61.332 63.762 -2.430 18793 1212 1 5 . 1 1 30 30 VAL CB C 30 31.889 31.889 30.911 0.978 18793 1213 1 5 . 1 1 30 30 VAL H H 30 7.823 7.823 8.143 -0.320 18793 1214 1 5 . 1 1 31 31 GLU N N 31 124.976 124.976 116.269 8.707 18793 1215 1 5 . 1 1 31 31 GLU C C 31 176.229 176.229 175.629 0.600 18793 1216 1 5 . 1 1 31 31 GLU CA C 31 55.397 55.397 56.584 -1.187 18793 1217 1 5 . 1 1 31 31 GLU CB C 31 28.704 28.704 30.398 -1.694 18793 1218 1 5 . 1 1 31 31 GLU H H 31 8.390 8.390 8.213 0.177 18793 1219 1 5 . 1 1 32 32 GLU N N 32 122.629 122.629 118.774 3.855 18793 1220 1 5 . 1 1 32 32 GLU C C 32 175.788 175.788 175.849 -0.061 18793 1221 1 5 . 1 1 32 32 GLU CA C 32 55.444 55.444 57.094 -1.650 18793 1222 1 5 . 1 1 32 32 GLU CB C 32 29.001 29.001 29.410 -0.409 18793 1223 1 5 . 1 1 32 32 GLU H H 32 8.307 8.307 8.571 -0.264 18793 1224 1 5 . 1 1 33 33 ASN N N 33 119.996 119.996 117.019 2.977 18793 1225 1 5 . 1 1 33 33 ASN C C 33 174.601 174.601 175.547 -0.946 18793 1226 1 5 . 1 1 33 33 ASN CA C 33 52.555 52.555 53.210 -0.655 18793 1227 1 5 . 1 1 33 33 ASN CB C 33 37.778 37.778 38.390 -0.612 18793 1228 1 5 . 1 1 33 33 ASN H H 33 8.386 8.386 8.709 -0.323 18793 1229 1 5 . 1 1 34 34 ARG N N 34 122.424 122.424 117.478 4.946 18793 1230 1 5 . 1 1 34 34 ARG C C 34 176.195 176.195 174.894 1.301 18793 1231 1 5 . 1 1 34 34 ARG CA C 34 55.332 55.332 57.243 -1.911 18793 1232 1 5 . 1 1 34 34 ARG CB C 34 29.334 29.334 28.059 1.275 18793 1233 1 5 . 1 1 34 34 ARG H H 34 8.211 8.211 8.352 -0.141 18793 1234 1 5 . 1 1 35 35 THR N N 35 116.319 116.319 112.498 3.821 18793 1235 1 5 . 1 1 35 35 THR C C 35 174.093 174.093 174.682 -0.589 18793 1236 1 5 . 1 1 35 35 THR CA C 35 60.999 60.999 61.289 -0.290 18793 1237 1 5 . 1 1 35 35 THR CB C 35 68.887 68.887 69.632 -0.745 18793 1238 1 5 . 1 1 35 35 THR H H 35 8.143 8.143 7.657 0.486 18793 1239 1 5 . 1 1 36 36 GLU N N 36 123.405 123.405 125.751 -2.346 18793 1240 1 5 . 1 1 36 36 GLU C C 36 175.279 175.279 177.228 -1.949 18793 1241 1 5 . 1 1 36 36 GLU CA C 36 55.397 55.397 57.767 -2.370 18793 1242 1 5 . 1 1 36 36 GLU CB C 36 28.815 28.815 29.989 -1.175 18793 1243 1 5 . 1 1 36 36 GLU H H 36 8.270 8.270 8.658 -0.388 18793 1244 1 5 . 1 1 37 37 ALA N N 37 126.500 126.500 122.399 4.101 18793 1245 1 5 . 1 1 37 37 ALA C C 37 175.279 175.279 176.130 -0.851 18793 1246 1 5 . 1 1 37 37 ALA CA C 37 49.638 49.638 49.754 -0.116 18793 1247 1 5 . 1 1 37 37 ALA CB C 37 17.074 17.074 18.970 -1.896 18793 1248 1 5 . 1 1 37 37 ALA H H 37 8.170 8.170 7.499 0.671 18793 1249 1 5 . 1 1 39 39 GLU N N 39 121.397 121.397 117.847 3.550 18793 1250 1 5 . 1 1 39 39 GLU C C 39 176.771 176.771 175.005 1.766 18793 1251 1 5 . 1 1 39 39 GLU CA C 39 55.999 55.999 56.894 -0.895 18793 1252 1 5 . 1 1 39 39 GLU CB C 39 29.001 29.001 31.210 -2.209 18793 1253 1 5 . 1 1 39 39 GLU H H 39 8.480 8.480 8.303 0.177 18793 1254 1 5 . 1 1 40 40 GLY N N 40 110.587 110.587 109.745 0.842 18793 1255 1 5 . 1 1 40 40 GLY C C 40 174.330 174.330 173.571 0.759 18793 1256 1 5 . 1 1 40 40 GLY CA C 40 44.555 44.555 45.164 -0.609 18793 1257 1 5 . 1 1 40 40 GLY H H 40 8.388 8.388 8.284 0.104 18793 1258 1 5 . 1 1 41 41 THR N N 41 113.357 113.357 113.570 -0.213 18793 1259 1 5 . 1 1 41 41 THR C C 41 175.279 175.279 173.895 1.384 18793 1260 1 5 . 1 1 41 41 THR CA C 41 61.332 61.332 63.075 -1.743 18793 1261 1 5 . 1 1 41 41 THR CB C 41 68.887 68.887 68.716 0.171 18793 1262 1 5 . 1 1 41 41 THR H H 41 8.072 8.072 8.395 -0.323 18793 1263 1 5 . 1 1 42 42 GLU N N 42 123.483 123.483 118.913 4.570 18793 1264 1 5 . 1 1 42 42 GLU C C 42 177.076 177.076 176.178 0.898 18793 1265 1 5 . 1 1 42 42 GLU CA C 42 56.505 56.505 57.739 -1.234 18793 1266 1 5 . 1 1 42 42 GLU CB C 42 28.040 28.040 30.543 -2.503 18793 1267 1 5 . 1 1 42 42 GLU H H 42 8.741 8.741 8.548 0.193 18793 1268 1 5 . 1 1 43 43 SER N N 43 115.380 115.380 114.244 1.136 18793 1269 1 5 . 1 1 43 43 SER C C 43 175.483 175.483 174.148 1.335 18793 1270 1 5 . 1 1 43 43 SER CA C 43 57.999 57.999 59.804 -1.805 18793 1271 1 5 . 1 1 43 43 SER CB C 43 62.221 62.221 63.365 -1.144 18793 1272 1 5 . 1 1 43 43 SER H H 43 8.297 8.297 8.227 0.070 18793 1273 1 5 . 1 1 86 86 VAL N N 86 118.964 118.964 121.535 -2.571 18793 1274 1 5 . 1 1 86 86 VAL C C 86 176.466 176.466 176.336 0.130 18793 1275 1 5 . 1 1 86 86 VAL CA C 86 64.999 64.999 65.326 -0.327 18793 1276 1 5 . 1 1 86 86 VAL CB C 86 30.112 30.112 31.819 -1.707 18793 1277 1 5 . 1 1 86 86 VAL H H 86 7.342 7.342 8.108 -0.766 18793 1278 1 5 . 1 1 87 87 LYS N N 87 118.061 118.061 119.657 -1.596 18793 1279 1 5 . 1 1 87 87 LYS C C 87 178.669 178.669 178.807 -0.138 18793 1280 1 5 . 1 1 87 87 LYS CA C 87 58.443 58.443 59.726 -1.283 18793 1281 1 5 . 1 1 87 87 LYS CB C 87 30.778 30.778 32.308 -1.530 18793 1282 1 5 . 1 1 87 87 LYS H H 87 7.312 7.312 8.256 -0.944 18793 1283 1 5 . 1 1 88 88 GLN N N 88 116.417 116.417 118.336 -1.919 18793 1284 1 5 . 1 1 88 88 GLN C C 88 177.212 177.212 177.998 -0.786 18793 1285 1 5 . 1 1 88 88 GLN CA C 88 57.888 57.888 58.457 -0.569 18793 1286 1 5 . 1 1 88 88 GLN CB C 88 26.890 26.890 28.444 -1.554 18793 1287 1 5 . 1 1 88 88 GLN H H 88 7.924 7.924 7.572 0.352 18793 1288 1 5 . 1 1 89 89 ALA N N 89 120.666 120.666 122.154 -1.488 18793 1289 1 5 . 1 1 89 89 ALA C C 89 179.076 179.076 179.366 -0.290 18793 1290 1 5 . 1 1 89 89 ALA CA C 89 53.999 53.999 54.417 -0.418 18793 1291 1 5 . 1 1 89 89 ALA CB C 89 17.113 17.113 18.165 -1.052 18793 1292 1 5 . 1 1 89 89 ALA H H 89 7.605 7.605 7.846 -0.241 18793 1293 1 5 . 1 1 90 90 LEU N N 90 119.883 119.883 119.927 -0.044 18793 1294 1 5 . 1 1 90 90 LEU C C 90 179.178 179.178 178.552 0.626 18793 1295 1 5 . 1 1 90 90 LEU CA C 90 57.332 57.332 57.874 -0.542 18793 1296 1 5 . 1 1 90 90 LEU CB C 90 40.889 40.889 42.035 -1.146 18793 1297 1 5 . 1 1 90 90 LEU H H 90 8.283 8.283 8.144 0.139 18793 1298 1 5 . 1 1 91 91 ARG N N 91 118.692 118.692 119.062 -0.370 18793 1299 1 5 . 1 1 91 91 ARG C C 91 178.432 178.432 178.610 -0.178 18793 1300 1 5 . 1 1 91 91 ARG CA C 91 59.666 59.666 59.668 -0.002 18793 1301 1 5 . 1 1 91 91 ARG CB C 91 29.334 29.334 30.270 -0.936 18793 1302 1 5 . 1 1 91 91 ARG H H 91 8.011 8.011 8.025 -0.014 18793 1303 1 5 . 1 1 92 92 GLU N N 92 116.799 116.799 119.409 -2.610 18793 1304 1 5 . 1 1 92 92 GLU C C 92 179.788 179.788 178.654 1.134 18793 1305 1 5 . 1 1 92 92 GLU CA C 92 58.110 58.110 59.418 -1.308 18793 1306 1 5 . 1 1 92 92 GLU CB C 92 27.890 27.890 29.691 -1.801 18793 1307 1 5 . 1 1 92 92 GLU H H 92 7.802 7.802 8.140 -0.338 18793 1308 1 5 . 1 1 93 93 ALA N N 93 124.583 124.583 121.070 3.513 18793 1309 1 5 . 1 1 93 93 ALA C C 93 180.161 180.161 179.965 0.196 18793 1310 1 5 . 1 1 93 93 ALA CA C 93 54.290 54.290 54.492 -0.202 18793 1311 1 5 . 1 1 93 93 ALA CB C 93 18.071 18.071 18.022 0.049 18793 1312 1 5 . 1 1 93 93 ALA H H 93 8.795 8.795 7.898 0.897 18793 1313 1 5 . 1 1 94 94 GLY N N 94 107.341 107.341 105.037 2.304 18793 1314 1 5 . 1 1 94 94 GLY C C 94 175.673 175.673 174.847 0.826 18793 1315 1 5 . 1 1 94 94 GLY CA C 94 46.333 46.333 46.910 -0.577 18793 1316 1 5 . 1 1 94 94 GLY H H 94 8.949 8.949 8.065 0.884 18793 1317 1 5 . 1 1 95 95 ASP N N 95 122.494 122.494 116.775 5.719 18793 1318 1 5 . 1 1 95 95 ASP C C 95 175.822 175.822 176.964 -1.142 18793 1319 1 5 . 1 1 95 95 ASP CA C 95 62.448 62.448 53.735 8.713 18793 1320 1 5 . 1 1 95 95 ASP CB C 95 38.604 38.604 41.989 -3.385 18793 1321 1 5 . 1 1 95 95 ASP H H 95 8.129 8.129 8.082 0.047 18793 1322 1 5 . 1 1 96 96 GLU N N 96 123.198 123.198 119.496 3.702 18793 1323 1 5 . 1 1 96 96 GLU C C 96 177.367 177.367 175.888 1.479 18793 1324 1 5 . 1 1 96 96 GLU CA C 96 57.391 57.391 57.049 0.342 18793 1325 1 5 . 1 1 96 96 GLU CB C 96 27.929 27.929 30.051 -2.122 18793 1326 1 5 . 1 1 96 96 GLU H H 96 8.691 8.691 8.193 0.498 18793 1327 1 5 . 1 1 97 97 PHE N N 97 113.232 113.232 118.449 -5.217 18793 1328 1 5 . 1 1 97 97 PHE C C 97 175.163 175.163 176.387 -1.224 18793 1329 1 5 . 1 1 97 97 PHE CA C 97 61.888 61.888 58.992 2.897 18793 1330 1 5 . 1 1 97 97 PHE H H 97 7.939 7.939 7.616 0.323 18793 1331 1 6 . 1 1 1 1 MET N N 1 120.233 120.233 119.276 0.957 18793 1332 1 6 . 1 1 1 1 MET C C 1 176.466 176.466 176.125 0.341 18793 1333 1 6 . 1 1 1 1 MET CA C 1 54.999 54.999 56.412 -1.413 18793 1334 1 6 . 1 1 1 1 MET CB C 1 31.334 31.334 32.592 -1.258 18793 1335 1 6 . 1 1 1 1 MET H H 1 8.288 8.288 8.391 -0.103 18793 1336 1 6 . 1 1 2 2 SER N N 2 117.150 117.150 112.800 4.350 18793 1337 1 6 . 1 1 2 2 SER C C 2 175.585 175.585 175.477 0.108 18793 1338 1 6 . 1 1 2 2 SER CA C 2 58.221 58.221 59.042 -0.821 18793 1339 1 6 . 1 1 2 2 SER CB C 2 62.221 62.221 62.359 -0.138 18793 1340 1 6 . 1 1 2 2 SER H H 2 8.191 8.191 8.316 -0.125 18793 1341 1 6 . 1 1 3 3 GLN N N 3 122.952 122.952 120.369 2.583 18793 1342 1 6 . 1 1 3 3 GLN C C 3 176.703 176.703 177.328 -0.625 18793 1343 1 6 . 1 1 3 3 GLN CA C 3 55.888 55.888 58.993 -3.105 18793 1344 1 6 . 1 1 3 3 GLN CB C 3 27.445 27.445 28.922 -1.477 18793 1345 1 6 . 1 1 3 3 GLN H H 3 8.334 8.334 8.537 -0.203 18793 1346 1 6 . 1 1 4 4 SER N N 4 117.024 117.024 113.770 3.254 18793 1347 1 6 . 1 1 4 4 SER C C 4 176.059 176.059 175.980 0.079 18793 1348 1 6 . 1 1 4 4 SER CA C 4 59.443 59.443 60.472 -1.029 18793 1349 1 6 . 1 1 4 4 SER CB C 4 61.888 61.888 62.711 -0.823 18793 1350 1 6 . 1 1 4 4 SER H H 4 8.300 8.300 8.407 -0.107 18793 1351 1 6 . 1 1 5 5 ASN N N 5 122.025 122.025 120.760 1.265 18793 1352 1 6 . 1 1 5 5 ASN C C 5 177.049 177.049 177.145 -0.096 18793 1353 1 6 . 1 1 5 5 ASN CA C 5 55.110 55.110 55.911 -0.801 18793 1354 1 6 . 1 1 5 5 ASN CB C 5 37.454 37.454 38.359 -0.905 18793 1355 1 6 . 1 1 5 5 ASN H H 5 8.517 8.517 8.589 -0.072 18793 1356 1 6 . 1 1 6 6 ARG N N 6 119.117 119.117 119.869 -0.752 18793 1357 1 6 . 1 1 6 6 ARG C C 6 177.144 177.144 178.824 -1.680 18793 1358 1 6 . 1 1 6 6 ARG CA C 6 57.366 57.366 59.564 -2.198 18793 1359 1 6 . 1 1 6 6 ARG CB C 6 28.348 28.348 30.295 -1.947 18793 1360 1 6 . 1 1 6 6 ARG H H 6 8.194 8.194 7.660 0.534 18793 1361 1 6 . 1 1 7 7 GLU N N 7 117.987 117.987 119.899 -1.912 18793 1362 1 6 . 1 1 7 7 GLU C C 7 179.178 179.178 178.665 0.513 18793 1363 1 6 . 1 1 7 7 GLU CA C 7 58.332 58.332 59.202 -0.870 18793 1364 1 6 . 1 1 7 7 GLU CB C 7 28.112 28.112 29.555 -1.443 18793 1365 1 6 . 1 1 7 7 GLU H H 7 7.902 7.902 7.562 0.340 18793 1366 1 6 . 1 1 8 8 LEU N N 8 120.359 120.359 122.011 -1.652 18793 1367 1 6 . 1 1 8 8 LEU C C 8 178.161 178.161 178.553 -0.392 18793 1368 1 6 . 1 1 8 8 LEU CA C 8 56.999 56.999 58.031 -1.032 18793 1369 1 6 . 1 1 8 8 LEU CB C 8 40.222 40.222 42.131 -1.909 18793 1370 1 6 . 1 1 8 8 LEU H H 8 7.690 7.690 8.206 -0.516 18793 1371 1 6 . 1 1 9 9 VAL N N 9 117.926 117.926 114.533 3.393 18793 1372 1 6 . 1 1 9 9 VAL C C 9 176.839 176.839 177.629 -0.790 18793 1373 1 6 . 1 1 9 9 VAL CA C 9 66.554 66.554 65.872 0.682 18793 1374 1 6 . 1 1 9 9 VAL CB C 9 31.001 31.001 31.380 -0.379 18793 1375 1 6 . 1 1 9 9 VAL H H 9 7.512 7.512 7.507 0.005 18793 1376 1 6 . 1 1 10 10 VAL N N 10 117.730 117.730 121.351 -3.621 18793 1377 1 6 . 1 1 10 10 VAL C C 10 178.364 178.364 177.683 0.681 18793 1378 1 6 . 1 1 10 10 VAL CA C 10 65.999 65.999 66.168 -0.169 18793 1379 1 6 . 1 1 10 10 VAL CB C 10 30.112 30.112 31.097 -0.985 18793 1380 1 6 . 1 1 10 10 VAL H H 10 8.254 8.254 7.627 0.627 18793 1381 1 6 . 1 1 11 11 ASP N N 11 121.346 121.346 121.549 -0.203 18793 1382 1 6 . 1 1 11 11 ASP C C 11 177.212 177.212 179.577 -2.365 18793 1383 1 6 . 1 1 11 11 ASP CA C 11 57.999 57.999 56.965 1.034 18793 1384 1 6 . 1 1 11 11 ASP CB C 11 42.111 42.111 40.669 1.442 18793 1385 1 6 . 1 1 11 11 ASP H H 11 8.029 8.029 8.463 -0.434 18793 1386 1 6 . 1 1 12 12 PHE N N 12 120.632 120.632 121.758 -1.126 18793 1387 1 6 . 1 1 12 12 PHE C C 12 177.890 177.890 177.964 -0.074 18793 1388 1 6 . 1 1 12 12 PHE CA C 12 62.110 62.110 61.049 1.061 18793 1389 1 6 . 1 1 12 12 PHE CB C 12 38.778 38.778 38.632 0.146 18793 1390 1 6 . 1 1 12 12 PHE H H 12 8.120 8.120 8.309 -0.189 18793 1391 1 6 . 1 1 13 13 LEU N N 13 117.068 117.068 119.930 -2.862 18793 1392 1 6 . 1 1 13 13 LEU C C 13 179.280 179.280 178.660 0.620 18793 1393 1 6 . 1 1 13 13 LEU CA C 13 57.555 57.555 58.750 -1.195 18793 1394 1 6 . 1 1 13 13 LEU CB C 13 40.222 40.222 40.998 -0.776 18793 1395 1 6 . 1 1 13 13 LEU H H 13 8.770 8.770 8.208 0.562 18793 1396 1 6 . 1 1 14 14 SER N N 14 114.398 114.398 113.966 0.432 18793 1397 1 6 . 1 1 14 14 SER C C 14 176.941 176.941 176.966 -0.025 18793 1398 1 6 . 1 1 14 14 SER CA C 14 61.777 61.777 61.496 0.281 18793 1399 1 6 . 1 1 14 14 SER CB C 14 60.824 60.824 62.662 -1.838 18793 1400 1 6 . 1 1 14 14 SER H H 14 8.407 8.407 8.109 0.298 18793 1401 1 6 . 1 1 15 15 TYR N N 15 125.435 125.435 124.374 1.061 18793 1402 1 6 . 1 1 15 15 TYR C C 15 177.991 177.991 177.622 0.369 18793 1403 1 6 . 1 1 15 15 TYR CA C 15 59.274 59.274 60.642 -1.368 18793 1404 1 6 . 1 1 15 15 TYR CB C 15 36.457 36.457 38.403 -1.946 18793 1405 1 6 . 1 1 15 15 TYR H H 15 8.129 8.129 7.825 0.304 18793 1406 1 6 . 1 1 16 16 LYS N N 16 120.549 120.549 120.485 0.064 18793 1407 1 6 . 1 1 16 16 LYS C C 16 180.127 180.127 179.472 0.655 18793 1408 1 6 . 1 1 16 16 LYS CA C 16 56.221 56.221 58.386 -2.164 18793 1409 1 6 . 1 1 16 16 LYS CB C 16 28.223 28.223 32.111 -3.888 18793 1410 1 6 . 1 1 16 16 LYS H H 16 8.150 8.150 8.386 -0.236 18793 1411 1 6 . 1 1 17 17 LEU N N 17 118.843 118.843 120.016 -1.173 18793 1412 1 6 . 1 1 17 17 LEU C C 17 179.653 179.653 178.674 0.979 18793 1413 1 6 . 1 1 17 17 LEU CA C 17 57.777 57.777 57.609 0.168 18793 1414 1 6 . 1 1 17 17 LEU CB C 17 39.667 39.667 41.630 -1.963 18793 1415 1 6 . 1 1 17 17 LEU H H 17 8.581 8.581 8.781 -0.200 18793 1416 1 6 . 1 1 18 18 SER N N 18 117.814 117.814 115.230 2.584 18793 1417 1 6 . 1 1 18 18 SER C C 18 178.297 178.297 177.301 0.996 18793 1418 1 6 . 1 1 18 18 SER CA C 18 60.492 60.492 61.605 -1.113 18793 1419 1 6 . 1 1 18 18 SER CB C 18 61.600 61.600 62.634 -1.034 18793 1420 1 6 . 1 1 18 18 SER H H 18 8.272 8.272 7.972 0.300 18793 1421 1 6 . 1 1 19 19 GLN N N 19 123.182 123.182 121.333 1.849 18793 1422 1 6 . 1 1 19 19 GLN C C 19 176.941 176.941 176.877 0.064 18793 1423 1 6 . 1 1 19 19 GLN CA C 19 57.666 57.666 57.853 -0.187 18793 1424 1 6 . 1 1 19 19 GLN CB C 19 27.334 27.334 29.072 -1.738 18793 1425 1 6 . 1 1 19 19 GLN H H 19 7.562 7.562 7.519 0.043 18793 1426 1 6 . 1 1 20 20 LYS N N 20 116.732 116.732 117.840 -1.108 18793 1427 1 6 . 1 1 20 20 LYS C C 20 175.178 175.178 175.109 0.069 18793 1428 1 6 . 1 1 20 20 LYS CA C 20 52.999 52.999 55.858 -2.859 18793 1429 1 6 . 1 1 20 20 LYS CB C 20 31.445 31.445 33.874 -2.429 18793 1430 1 6 . 1 1 20 20 LYS H H 20 7.114 7.114 8.097 -0.983 18793 1431 1 6 . 1 1 21 21 GLY N N 21 105.804 105.804 108.094 -2.290 18793 1432 1 6 . 1 1 21 21 GLY C C 21 173.652 173.652 173.389 0.263 18793 1433 1 6 . 1 1 21 21 GLY CA C 21 44.210 44.210 44.528 -0.318 18793 1434 1 6 . 1 1 21 21 GLY H H 21 7.451 7.451 7.523 -0.072 18793 1435 1 6 . 1 1 22 22 TYR N N 22 120.097 120.097 119.190 0.907 18793 1436 1 6 . 1 1 22 22 TYR C C 22 174.737 174.737 174.884 -0.147 18793 1437 1 6 . 1 1 22 22 TYR CA C 22 54.666 54.666 56.857 -2.191 18793 1438 1 6 . 1 1 22 22 TYR CB C 22 39.667 39.667 37.882 1.785 18793 1439 1 6 . 1 1 22 22 TYR H H 22 7.769 7.769 7.657 0.112 18793 1440 1 6 . 1 1 23 23 SER N N 23 115.275 115.275 118.010 -2.735 18793 1441 1 6 . 1 1 23 23 SER C C 23 174.262 174.262 174.879 -0.617 18793 1442 1 6 . 1 1 23 23 SER CA C 23 55.888 55.888 57.249 -1.361 18793 1443 1 6 . 1 1 23 23 SER CB C 23 63.888 63.888 65.579 -1.691 18793 1444 1 6 . 1 1 23 23 SER H H 23 8.483 8.483 8.641 -0.158 18793 1445 1 6 . 1 1 24 24 TRP N N 24 127.826 127.826 121.623 6.203 18793 1446 1 6 . 1 1 24 24 TRP C C 24 176.669 176.669 176.336 0.333 18793 1447 1 6 . 1 1 24 24 TRP CA C 24 59.385 59.385 59.986 -0.601 18793 1448 1 6 . 1 1 24 24 TRP CB C 24 29.479 29.479 28.305 1.174 18793 1449 1 6 . 1 1 24 24 TRP H H 24 8.928 8.928 8.878 0.050 18793 1450 1 6 . 1 1 25 25 SER N N 25 111.710 111.710 115.944 -4.234 18793 1451 1 6 . 1 1 25 25 SER C C 25 174.974 174.974 175.660 -0.686 18793 1452 1 6 . 1 1 25 25 SER CA C 25 59.332 59.332 61.149 -1.817 18793 1453 1 6 . 1 1 25 25 SER CB C 25 61.888 61.888 63.544 -1.656 18793 1454 1 6 . 1 1 25 25 SER H H 25 8.146 8.146 8.101 0.045 18793 1455 1 6 . 1 1 26 26 GLN N N 26 119.553 119.553 114.873 4.680 18793 1456 1 6 . 1 1 26 26 GLN C C 26 175.991 175.991 175.072 0.919 18793 1457 1 6 . 1 1 26 26 GLN CA C 26 56.332 56.332 57.748 -1.416 18793 1458 1 6 . 1 1 26 26 GLN CB C 26 27.112 27.112 28.070 -0.958 18793 1459 1 6 . 1 1 26 26 GLN H H 26 7.319 7.319 8.941 -1.622 18793 1460 1 6 . 1 1 27 27 PHE N N 27 116.264 116.264 115.952 0.312 18793 1461 1 6 . 1 1 27 27 PHE C C 27 174.635 174.635 174.268 0.367 18793 1462 1 6 . 1 1 27 27 PHE CA C 27 55.555 55.555 57.735 -2.180 18793 1463 1 6 . 1 1 27 27 PHE CB C 27 38.556 38.556 39.865 -1.309 18793 1464 1 6 . 1 1 27 27 PHE H H 27 7.109 7.109 7.506 -0.397 18793 1465 1 6 . 1 1 28 28 SER N N 28 114.011 114.011 114.237 -0.226 18793 1466 1 6 . 1 1 28 28 SER C C 28 173.313 173.313 174.111 -0.798 18793 1467 1 6 . 1 1 28 28 SER CA C 28 56.555 56.555 59.181 -2.627 18793 1468 1 6 . 1 1 28 28 SER CB C 28 62.665 62.665 61.994 0.671 18793 1469 1 6 . 1 1 28 28 SER H H 28 7.058 7.058 7.337 -0.279 18793 1470 1 6 . 1 1 29 29 ASP N N 29 123.008 123.008 117.764 5.244 18793 1471 1 6 . 1 1 29 29 ASP C C 29 175.991 175.991 176.868 -0.877 18793 1472 1 6 . 1 1 29 29 ASP CA C 29 53.333 53.333 56.430 -3.097 18793 1473 1 6 . 1 1 29 29 ASP CB C 29 39.889 39.889 41.150 -1.261 18793 1474 1 6 . 1 1 29 29 ASP H H 29 8.220 8.220 8.113 0.107 18793 1475 1 6 . 1 1 30 30 VAL N N 30 119.570 119.570 117.623 1.947 18793 1476 1 6 . 1 1 30 30 VAL C C 30 175.788 175.788 174.955 0.833 18793 1477 1 6 . 1 1 30 30 VAL CA C 30 61.332 61.332 63.667 -2.335 18793 1478 1 6 . 1 1 30 30 VAL CB C 30 31.889 31.889 29.957 1.932 18793 1479 1 6 . 1 1 30 30 VAL H H 30 7.823 7.823 8.337 -0.514 18793 1480 1 6 . 1 1 31 31 GLU N N 31 124.976 124.976 125.226 -0.250 18793 1481 1 6 . 1 1 31 31 GLU C C 31 176.229 176.229 175.608 0.621 18793 1482 1 6 . 1 1 31 31 GLU CA C 31 55.397 55.397 57.627 -2.229 18793 1483 1 6 . 1 1 31 31 GLU CB C 31 28.704 28.704 29.234 -0.530 18793 1484 1 6 . 1 1 31 31 GLU H H 31 8.390 8.390 8.635 -0.245 18793 1485 1 6 . 1 1 32 32 GLU N N 32 122.629 122.629 114.051 8.578 18793 1486 1 6 . 1 1 32 32 GLU C C 32 175.788 175.788 175.380 0.408 18793 1487 1 6 . 1 1 32 32 GLU CA C 32 55.444 55.444 57.314 -1.870 18793 1488 1 6 . 1 1 32 32 GLU CB C 32 29.001 29.001 27.860 1.141 18793 1489 1 6 . 1 1 32 32 GLU H H 32 8.307 8.307 8.769 -0.462 18793 1490 1 6 . 1 1 33 33 ASN N N 33 119.996 119.996 117.290 2.706 18793 1491 1 6 . 1 1 33 33 ASN C C 33 174.601 174.601 175.647 -1.046 18793 1492 1 6 . 1 1 33 33 ASN CA C 33 52.555 52.555 53.767 -1.212 18793 1493 1 6 . 1 1 33 33 ASN CB C 33 37.778 37.778 40.428 -2.650 18793 1494 1 6 . 1 1 33 33 ASN H H 33 8.386 8.386 8.288 0.098 18793 1495 1 6 . 1 1 34 34 ARG N N 34 122.424 122.424 119.204 3.220 18793 1496 1 6 . 1 1 34 34 ARG C C 34 176.195 176.195 175.437 0.758 18793 1497 1 6 . 1 1 34 34 ARG CA C 34 55.332 55.332 57.975 -2.643 18793 1498 1 6 . 1 1 34 34 ARG CB C 34 29.334 29.334 28.840 0.494 18793 1499 1 6 . 1 1 34 34 ARG H H 34 8.211 8.211 8.173 0.038 18793 1500 1 6 . 1 1 35 35 THR N N 35 116.319 116.319 108.435 7.884 18793 1501 1 6 . 1 1 35 35 THR C C 35 174.093 174.093 174.403 -0.310 18793 1502 1 6 . 1 1 35 35 THR CA C 35 60.999 60.999 61.428 -0.429 18793 1503 1 6 . 1 1 35 35 THR CB C 35 68.887 68.887 69.274 -0.387 18793 1504 1 6 . 1 1 35 35 THR H H 35 8.143 8.143 7.786 0.357 18793 1505 1 6 . 1 1 36 36 GLU N N 36 123.405 123.405 119.028 4.377 18793 1506 1 6 . 1 1 36 36 GLU C C 36 175.279 175.279 175.011 0.268 18793 1507 1 6 . 1 1 36 36 GLU CA C 36 55.397 55.397 56.800 -1.403 18793 1508 1 6 . 1 1 36 36 GLU CB C 36 28.815 28.815 28.500 0.315 18793 1509 1 6 . 1 1 36 36 GLU H H 36 8.270 8.270 8.280 -0.010 18793 1510 1 6 . 1 1 37 37 ALA N N 37 126.500 126.500 121.962 4.538 18793 1511 1 6 . 1 1 37 37 ALA C C 37 175.279 175.279 175.520 -0.241 18793 1512 1 6 . 1 1 37 37 ALA CA C 37 49.638 49.638 50.876 -1.238 18793 1513 1 6 . 1 1 37 37 ALA CB C 37 17.074 17.074 19.230 -2.156 18793 1514 1 6 . 1 1 37 37 ALA H H 37 8.170 8.170 7.910 0.260 18793 1515 1 6 . 1 1 39 39 GLU N N 39 121.397 121.397 118.279 3.118 18793 1516 1 6 . 1 1 39 39 GLU C C 39 176.771 176.771 176.333 0.438 18793 1517 1 6 . 1 1 39 39 GLU CA C 39 55.999 55.999 56.697 -0.698 18793 1518 1 6 . 1 1 39 39 GLU CB C 39 29.001 29.001 31.679 -2.678 18793 1519 1 6 . 1 1 39 39 GLU H H 39 8.480 8.480 9.216 -0.736 18793 1520 1 6 . 1 1 40 40 GLY N N 40 110.587 110.587 106.978 3.609 18793 1521 1 6 . 1 1 40 40 GLY C C 40 174.330 174.330 173.459 0.871 18793 1522 1 6 . 1 1 40 40 GLY CA C 40 44.555 44.555 45.143 -0.588 18793 1523 1 6 . 1 1 40 40 GLY H H 40 8.388 8.388 8.058 0.330 18793 1524 1 6 . 1 1 41 41 THR N N 41 113.357 113.357 113.129 0.228 18793 1525 1 6 . 1 1 41 41 THR C C 41 175.279 175.279 174.005 1.274 18793 1526 1 6 . 1 1 41 41 THR CA C 41 61.332 61.332 62.361 -1.029 18793 1527 1 6 . 1 1 41 41 THR CB C 41 68.887 68.887 70.976 -2.089 18793 1528 1 6 . 1 1 41 41 THR H H 41 8.072 8.072 8.362 -0.290 18793 1529 1 6 . 1 1 42 42 GLU N N 42 123.483 123.483 120.166 3.317 18793 1530 1 6 . 1 1 42 42 GLU C C 42 177.076 177.076 177.059 0.017 18793 1531 1 6 . 1 1 42 42 GLU CA C 42 56.505 56.505 56.946 -0.441 18793 1532 1 6 . 1 1 42 42 GLU CB C 42 28.040 28.040 30.198 -2.158 18793 1533 1 6 . 1 1 42 42 GLU H H 42 8.741 8.741 8.119 0.622 18793 1534 1 6 . 1 1 43 43 SER N N 43 115.380 115.380 115.482 -0.102 18793 1535 1 6 . 1 1 43 43 SER C C 43 175.483 175.483 174.744 0.739 18793 1536 1 6 . 1 1 43 43 SER CA C 43 57.999 57.999 60.270 -2.271 18793 1537 1 6 . 1 1 43 43 SER CB C 43 62.221 62.221 62.944 -0.723 18793 1538 1 6 . 1 1 43 43 SER H H 43 8.297 8.297 8.220 0.077 18793 1539 1 6 . 1 1 86 86 VAL N N 86 118.964 118.964 121.838 -2.874 18793 1540 1 6 . 1 1 86 86 VAL C C 86 176.466 176.466 176.528 -0.062 18793 1541 1 6 . 1 1 86 86 VAL CA C 86 64.999 64.999 65.314 -0.315 18793 1542 1 6 . 1 1 86 86 VAL CB C 86 30.112 30.112 31.848 -1.736 18793 1543 1 6 . 1 1 86 86 VAL H H 86 7.342 7.342 8.178 -0.836 18793 1544 1 6 . 1 1 87 87 LYS N N 87 118.061 118.061 119.690 -1.629 18793 1545 1 6 . 1 1 87 87 LYS C C 87 178.669 178.669 178.638 0.031 18793 1546 1 6 . 1 1 87 87 LYS CA C 87 58.443 58.443 59.029 -0.586 18793 1547 1 6 . 1 1 87 87 LYS CB C 87 30.778 30.778 32.149 -1.371 18793 1548 1 6 . 1 1 87 87 LYS H H 87 7.312 7.312 7.722 -0.410 18793 1549 1 6 . 1 1 88 88 GLN N N 88 116.417 116.417 118.941 -2.524 18793 1550 1 6 . 1 1 88 88 GLN C C 88 177.212 177.212 178.102 -0.890 18793 1551 1 6 . 1 1 88 88 GLN CA C 88 57.888 57.888 58.511 -0.623 18793 1552 1 6 . 1 1 88 88 GLN CB C 88 26.890 26.890 28.596 -1.706 18793 1553 1 6 . 1 1 88 88 GLN H H 88 7.924 7.924 7.905 0.019 18793 1554 1 6 . 1 1 89 89 ALA N N 89 120.666 120.666 123.367 -2.701 18793 1555 1 6 . 1 1 89 89 ALA C C 89 179.076 179.076 179.366 -0.290 18793 1556 1 6 . 1 1 89 89 ALA CA C 89 53.999 53.999 55.227 -1.228 18793 1557 1 6 . 1 1 89 89 ALA CB C 89 17.113 17.113 18.437 -1.324 18793 1558 1 6 . 1 1 89 89 ALA H H 89 7.605 7.605 8.643 -1.038 18793 1559 1 6 . 1 1 90 90 LEU N N 90 119.883 119.883 119.215 0.668 18793 1560 1 6 . 1 1 90 90 LEU C C 90 179.178 179.178 179.112 0.066 18793 1561 1 6 . 1 1 90 90 LEU CA C 90 57.332 57.332 58.533 -1.201 18793 1562 1 6 . 1 1 90 90 LEU CB C 90 40.889 40.889 41.429 -0.540 18793 1563 1 6 . 1 1 90 90 LEU H H 90 8.283 8.283 7.646 0.637 18793 1564 1 6 . 1 1 91 91 ARG N N 91 118.692 118.692 118.604 0.088 18793 1565 1 6 . 1 1 91 91 ARG C C 91 178.432 178.432 178.773 -0.341 18793 1566 1 6 . 1 1 91 91 ARG CA C 91 59.666 59.666 59.016 0.650 18793 1567 1 6 . 1 1 91 91 ARG CB C 91 29.334 29.334 29.783 -0.449 18793 1568 1 6 . 1 1 91 91 ARG H H 91 8.011 8.011 7.695 0.316 18793 1569 1 6 . 1 1 92 92 GLU N N 92 116.799 116.799 119.121 -2.322 18793 1570 1 6 . 1 1 92 92 GLU C C 92 179.788 179.788 179.016 0.772 18793 1571 1 6 . 1 1 92 92 GLU CA C 92 58.110 58.110 59.303 -1.194 18793 1572 1 6 . 1 1 92 92 GLU CB C 92 27.890 27.890 29.223 -1.333 18793 1573 1 6 . 1 1 92 92 GLU H H 92 7.802 7.802 8.415 -0.613 18793 1574 1 6 . 1 1 93 93 ALA N N 93 124.583 124.583 120.343 4.240 18793 1575 1 6 . 1 1 93 93 ALA C C 93 180.161 180.161 180.449 -0.288 18793 1576 1 6 . 1 1 93 93 ALA CA C 93 54.290 54.290 54.107 0.183 18793 1577 1 6 . 1 1 93 93 ALA CB C 93 18.071 18.071 18.626 -0.555 18793 1578 1 6 . 1 1 93 93 ALA H H 93 8.795 8.795 8.609 0.186 18793 1579 1 6 . 1 1 94 94 GLY N N 94 107.341 107.341 107.479 -0.138 18793 1580 1 6 . 1 1 94 94 GLY C C 94 175.673 175.673 175.301 0.372 18793 1581 1 6 . 1 1 94 94 GLY CA C 94 46.333 46.333 47.592 -1.258 18793 1582 1 6 . 1 1 94 94 GLY H H 94 8.949 8.949 8.197 0.752 18793 1583 1 6 . 1 1 95 95 ASP N N 95 122.494 122.494 118.239 4.255 18793 1584 1 6 . 1 1 95 95 ASP C C 95 175.822 175.822 175.317 0.505 18793 1585 1 6 . 1 1 95 95 ASP CA C 95 62.448 62.448 53.635 8.813 18793 1586 1 6 . 1 1 95 95 ASP CB C 95 38.604 38.604 41.417 -2.813 18793 1587 1 6 . 1 1 95 95 ASP H H 95 8.129 8.129 7.811 0.318 18793 1588 1 6 . 1 1 96 96 GLU N N 96 123.198 123.198 120.646 2.552 18793 1589 1 6 . 1 1 96 96 GLU C C 96 177.367 177.367 178.809 -1.442 18793 1590 1 6 . 1 1 96 96 GLU CA C 96 57.391 57.391 58.675 -1.284 18793 1591 1 6 . 1 1 96 96 GLU CB C 96 27.929 27.929 30.156 -2.227 18793 1592 1 6 . 1 1 96 96 GLU H H 96 8.691 8.691 8.246 0.445 18793 1593 1 6 . 1 1 97 97 PHE N N 97 113.232 113.232 118.753 -5.521 18793 1594 1 6 . 1 1 97 97 PHE C C 97 175.163 175.163 176.651 -1.488 18793 1595 1 6 . 1 1 97 97 PHE CA C 97 61.888 61.888 60.289 1.599 18793 1596 1 6 . 1 1 97 97 PHE H H 97 7.939 7.939 8.046 -0.107 18793 1597 1 7 . 1 1 1 1 MET N N 1 120.233 120.233 118.898 1.335 18793 1598 1 7 . 1 1 1 1 MET C C 1 176.466 176.466 175.664 0.802 18793 1599 1 7 . 1 1 1 1 MET CA C 1 54.999 54.999 57.126 -2.127 18793 1600 1 7 . 1 1 1 1 MET CB C 1 31.334 31.334 33.318 -1.984 18793 1601 1 7 . 1 1 1 1 MET H H 1 8.288 8.288 8.576 -0.288 18793 1602 1 7 . 1 1 2 2 SER N N 2 117.150 117.150 107.563 9.587 18793 1603 1 7 . 1 1 2 2 SER C C 2 175.585 175.585 174.441 1.144 18793 1604 1 7 . 1 1 2 2 SER CA C 2 58.221 58.221 58.034 0.187 18793 1605 1 7 . 1 1 2 2 SER CB C 2 62.221 62.221 63.380 -1.159 18793 1606 1 7 . 1 1 2 2 SER H H 2 8.191 8.191 7.798 0.393 18793 1607 1 7 . 1 1 3 3 GLN N N 3 122.952 122.952 122.743 0.209 18793 1608 1 7 . 1 1 3 3 GLN C C 3 176.703 176.703 178.271 -1.568 18793 1609 1 7 . 1 1 3 3 GLN CA C 3 55.888 55.888 58.647 -2.759 18793 1610 1 7 . 1 1 3 3 GLN CB C 3 27.445 27.445 28.580 -1.135 18793 1611 1 7 . 1 1 3 3 GLN H H 3 8.334 8.334 8.716 -0.382 18793 1612 1 7 . 1 1 4 4 SER N N 4 117.024 117.024 114.441 2.583 18793 1613 1 7 . 1 1 4 4 SER C C 4 176.059 176.059 176.252 -0.193 18793 1614 1 7 . 1 1 4 4 SER CA C 4 59.443 59.443 60.259 -0.816 18793 1615 1 7 . 1 1 4 4 SER CB C 4 61.888 61.888 62.884 -0.996 18793 1616 1 7 . 1 1 4 4 SER H H 4 8.300 8.300 8.325 -0.025 18793 1617 1 7 . 1 1 5 5 ASN N N 5 122.025 122.025 119.438 2.587 18793 1618 1 7 . 1 1 5 5 ASN C C 5 177.049 177.049 177.124 -0.075 18793 1619 1 7 . 1 1 5 5 ASN CA C 5 55.110 55.110 55.846 -0.737 18793 1620 1 7 . 1 1 5 5 ASN CB C 5 37.454 37.454 38.357 -0.903 18793 1621 1 7 . 1 1 5 5 ASN H H 5 8.517 8.517 8.544 -0.027 18793 1622 1 7 . 1 1 6 6 ARG N N 6 119.117 119.117 120.187 -1.070 18793 1623 1 7 . 1 1 6 6 ARG C C 6 177.144 177.144 178.533 -1.389 18793 1624 1 7 . 1 1 6 6 ARG CA C 6 57.366 57.366 59.878 -2.512 18793 1625 1 7 . 1 1 6 6 ARG CB C 6 28.348 28.348 30.279 -1.931 18793 1626 1 7 . 1 1 6 6 ARG H H 6 8.194 8.194 7.813 0.381 18793 1627 1 7 . 1 1 7 7 GLU N N 7 117.987 117.987 119.237 -1.250 18793 1628 1 7 . 1 1 7 7 GLU C C 7 179.178 179.178 178.962 0.216 18793 1629 1 7 . 1 1 7 7 GLU CA C 7 58.332 58.332 59.195 -0.863 18793 1630 1 7 . 1 1 7 7 GLU CB C 7 28.112 28.112 29.248 -1.136 18793 1631 1 7 . 1 1 7 7 GLU H H 7 7.902 7.902 7.709 0.193 18793 1632 1 7 . 1 1 8 8 LEU N N 8 120.359 120.359 121.624 -1.265 18793 1633 1 7 . 1 1 8 8 LEU C C 8 178.161 178.161 178.243 -0.082 18793 1634 1 7 . 1 1 8 8 LEU CA C 8 56.999 56.999 58.024 -1.025 18793 1635 1 7 . 1 1 8 8 LEU CB C 8 40.222 40.222 42.059 -1.837 18793 1636 1 7 . 1 1 8 8 LEU H H 8 7.690 7.690 7.652 0.038 18793 1637 1 7 . 1 1 9 9 VAL N N 9 117.926 117.926 118.580 -0.654 18793 1638 1 7 . 1 1 9 9 VAL C C 9 176.839 176.839 178.262 -1.423 18793 1639 1 7 . 1 1 9 9 VAL CA C 9 66.554 66.554 66.729 -0.175 18793 1640 1 7 . 1 1 9 9 VAL CB C 9 31.001 31.001 30.508 0.493 18793 1641 1 7 . 1 1 9 9 VAL H H 9 7.512 7.512 7.752 -0.240 18793 1642 1 7 . 1 1 10 10 VAL N N 10 117.730 117.730 120.510 -2.780 18793 1643 1 7 . 1 1 10 10 VAL C C 10 178.364 178.364 178.848 -0.484 18793 1644 1 7 . 1 1 10 10 VAL CA C 10 65.999 65.999 66.532 -0.533 18793 1645 1 7 . 1 1 10 10 VAL CB C 10 30.112 30.112 30.624 -0.512 18793 1646 1 7 . 1 1 10 10 VAL H H 10 8.254 8.254 7.189 1.065 18793 1647 1 7 . 1 1 11 11 ASP N N 11 121.346 121.346 120.912 0.434 18793 1648 1 7 . 1 1 11 11 ASP C C 11 177.212 177.212 179.057 -1.845 18793 1649 1 7 . 1 1 11 11 ASP CA C 11 57.999 57.999 57.858 0.141 18793 1650 1 7 . 1 1 11 11 ASP CB C 11 42.111 42.111 40.809 1.302 18793 1651 1 7 . 1 1 11 11 ASP H H 11 8.029 8.029 8.140 -0.111 18793 1652 1 7 . 1 1 12 12 PHE N N 12 120.632 120.632 120.450 0.182 18793 1653 1 7 . 1 1 12 12 PHE C C 12 177.890 177.890 177.803 0.087 18793 1654 1 7 . 1 1 12 12 PHE CA C 12 62.110 62.110 62.133 -0.023 18793 1655 1 7 . 1 1 12 12 PHE CB C 12 38.778 38.778 38.894 -0.116 18793 1656 1 7 . 1 1 12 12 PHE H H 12 8.120 8.120 8.479 -0.359 18793 1657 1 7 . 1 1 13 13 LEU N N 13 117.068 117.068 119.052 -1.984 18793 1658 1 7 . 1 1 13 13 LEU C C 13 179.280 179.280 179.509 -0.229 18793 1659 1 7 . 1 1 13 13 LEU CA C 13 57.555 57.555 57.826 -0.271 18793 1660 1 7 . 1 1 13 13 LEU CB C 13 40.222 40.222 40.745 -0.523 18793 1661 1 7 . 1 1 13 13 LEU H H 13 8.770 8.770 8.771 -0.001 18793 1662 1 7 . 1 1 14 14 SER N N 14 114.398 114.398 115.861 -1.463 18793 1663 1 7 . 1 1 14 14 SER C C 14 176.941 176.941 177.112 -0.171 18793 1664 1 7 . 1 1 14 14 SER CA C 14 61.777 61.777 62.263 -0.486 18793 1665 1 7 . 1 1 14 14 SER CB C 14 60.824 60.824 63.074 -2.249 18793 1666 1 7 . 1 1 14 14 SER H H 14 8.407 8.407 8.427 -0.020 18793 1667 1 7 . 1 1 15 15 TYR N N 15 125.435 125.435 122.736 2.699 18793 1668 1 7 . 1 1 15 15 TYR C C 15 177.991 177.991 177.765 0.226 18793 1669 1 7 . 1 1 15 15 TYR CA C 15 59.274 59.274 61.811 -2.537 18793 1670 1 7 . 1 1 15 15 TYR CB C 15 36.457 36.457 38.555 -2.098 18793 1671 1 7 . 1 1 15 15 TYR H H 15 8.129 8.129 8.803 -0.674 18793 1672 1 7 . 1 1 16 16 LYS N N 16 120.549 120.549 119.240 1.309 18793 1673 1 7 . 1 1 16 16 LYS C C 16 180.127 180.127 179.328 0.799 18793 1674 1 7 . 1 1 16 16 LYS CA C 16 56.221 56.221 58.574 -2.353 18793 1675 1 7 . 1 1 16 16 LYS CB C 16 28.223 28.223 31.947 -3.724 18793 1676 1 7 . 1 1 16 16 LYS H H 16 8.150 8.150 7.995 0.155 18793 1677 1 7 . 1 1 17 17 LEU N N 17 118.843 118.843 119.503 -0.660 18793 1678 1 7 . 1 1 17 17 LEU C C 17 179.653 179.653 178.870 0.783 18793 1679 1 7 . 1 1 17 17 LEU CA C 17 57.777 57.777 57.081 0.696 18793 1680 1 7 . 1 1 17 17 LEU CB C 17 39.667 39.667 41.838 -2.171 18793 1681 1 7 . 1 1 17 17 LEU H H 17 8.581 8.581 8.008 0.573 18793 1682 1 7 . 1 1 18 18 SER N N 18 117.814 117.814 114.675 3.139 18793 1683 1 7 . 1 1 18 18 SER C C 18 178.297 178.297 175.901 2.396 18793 1684 1 7 . 1 1 18 18 SER CA C 18 60.492 60.492 61.408 -0.916 18793 1685 1 7 . 1 1 18 18 SER CB C 18 61.600 61.600 63.031 -1.431 18793 1686 1 7 . 1 1 18 18 SER H H 18 8.272 8.272 8.102 0.170 18793 1687 1 7 . 1 1 19 19 GLN N N 19 123.182 123.182 119.887 3.295 18793 1688 1 7 . 1 1 19 19 GLN C C 19 176.941 176.941 177.457 -0.516 18793 1689 1 7 . 1 1 19 19 GLN CA C 19 57.666 57.666 58.377 -0.711 18793 1690 1 7 . 1 1 19 19 GLN CB C 19 27.334 27.334 28.881 -1.547 18793 1691 1 7 . 1 1 19 19 GLN H H 19 7.562 7.562 7.717 -0.155 18793 1692 1 7 . 1 1 20 20 LYS N N 20 116.732 116.732 117.510 -0.778 18793 1693 1 7 . 1 1 20 20 LYS C C 20 175.178 175.178 176.669 -1.491 18793 1694 1 7 . 1 1 20 20 LYS CA C 20 52.999 52.999 56.355 -3.356 18793 1695 1 7 . 1 1 20 20 LYS CB C 20 31.445 31.445 34.342 -2.897 18793 1696 1 7 . 1 1 20 20 LYS H H 20 7.114 7.114 7.812 -0.698 18793 1697 1 7 . 1 1 21 21 GLY N N 21 105.804 105.804 106.604 -0.800 18793 1698 1 7 . 1 1 21 21 GLY C C 21 173.652 173.652 173.144 0.508 18793 1699 1 7 . 1 1 21 21 GLY CA C 21 44.210 44.210 44.924 -0.714 18793 1700 1 7 . 1 1 21 21 GLY H H 21 7.451 7.451 7.768 -0.317 18793 1701 1 7 . 1 1 22 22 TYR N N 22 120.097 120.097 118.747 1.350 18793 1702 1 7 . 1 1 22 22 TYR C C 22 174.737 174.737 173.590 1.147 18793 1703 1 7 . 1 1 22 22 TYR CA C 22 54.666 54.666 57.184 -2.518 18793 1704 1 7 . 1 1 22 22 TYR CB C 22 39.667 39.667 41.737 -2.070 18793 1705 1 7 . 1 1 22 22 TYR H H 22 7.769 7.769 7.643 0.126 18793 1706 1 7 . 1 1 23 23 SER N N 23 115.275 115.275 113.891 1.384 18793 1707 1 7 . 1 1 23 23 SER C C 23 174.262 174.262 174.554 -0.292 18793 1708 1 7 . 1 1 23 23 SER CA C 23 55.888 55.888 57.454 -1.566 18793 1709 1 7 . 1 1 23 23 SER CB C 23 63.888 63.888 65.265 -1.377 18793 1710 1 7 . 1 1 23 23 SER H H 23 8.483 8.483 8.531 -0.048 18793 1711 1 7 . 1 1 24 24 TRP N N 24 127.826 127.826 127.289 0.537 18793 1712 1 7 . 1 1 24 24 TRP C C 24 176.669 176.669 177.110 -0.441 18793 1713 1 7 . 1 1 24 24 TRP CA C 24 59.385 59.385 61.085 -1.700 18793 1714 1 7 . 1 1 24 24 TRP CB C 24 29.479 29.479 29.904 -0.425 18793 1715 1 7 . 1 1 24 24 TRP H H 24 8.928 8.928 9.011 -0.083 18793 1716 1 7 . 1 1 25 25 SER N N 25 111.710 111.710 112.885 -1.175 18793 1717 1 7 . 1 1 25 25 SER C C 25 174.974 174.974 173.766 1.208 18793 1718 1 7 . 1 1 25 25 SER CA C 25 59.332 59.332 59.027 0.305 18793 1719 1 7 . 1 1 25 25 SER CB C 25 61.888 61.888 63.930 -2.042 18793 1720 1 7 . 1 1 25 25 SER H H 25 8.146 8.146 7.784 0.362 18793 1721 1 7 . 1 1 26 26 GLN N N 26 119.553 119.553 119.270 0.283 18793 1722 1 7 . 1 1 26 26 GLN C C 26 175.991 175.991 174.960 1.031 18793 1723 1 7 . 1 1 26 26 GLN CA C 26 56.332 56.332 56.590 -0.258 18793 1724 1 7 . 1 1 26 26 GLN CB C 26 27.112 27.112 26.430 0.682 18793 1725 1 7 . 1 1 26 26 GLN H H 26 7.319 7.319 7.650 -0.331 18793 1726 1 7 . 1 1 27 27 PHE N N 27 116.264 116.264 113.710 2.554 18793 1727 1 7 . 1 1 27 27 PHE C C 27 174.635 174.635 175.898 -1.263 18793 1728 1 7 . 1 1 27 27 PHE CA C 27 55.555 55.555 58.822 -3.267 18793 1729 1 7 . 1 1 27 27 PHE CB C 27 38.556 38.556 37.801 0.755 18793 1730 1 7 . 1 1 27 27 PHE H H 27 7.109 7.109 8.264 -1.155 18793 1731 1 7 . 1 1 28 28 SER N N 28 114.011 114.011 114.290 -0.279 18793 1732 1 7 . 1 1 28 28 SER C C 28 173.313 173.313 174.960 -1.647 18793 1733 1 7 . 1 1 28 28 SER CA C 28 56.555 56.555 60.497 -3.942 18793 1734 1 7 . 1 1 28 28 SER CB C 28 62.665 62.665 63.895 -1.230 18793 1735 1 7 . 1 1 28 28 SER H H 28 7.058 7.058 8.081 -1.023 18793 1736 1 7 . 1 1 29 29 ASP N N 29 123.008 123.008 118.553 4.455 18793 1737 1 7 . 1 1 29 29 ASP C C 29 175.991 175.991 177.093 -1.102 18793 1738 1 7 . 1 1 29 29 ASP CA C 29 53.333 53.333 54.791 -1.458 18793 1739 1 7 . 1 1 29 29 ASP CB C 29 39.889 39.889 42.891 -3.002 18793 1740 1 7 . 1 1 29 29 ASP H H 29 8.220 8.220 7.774 0.446 18793 1741 1 7 . 1 1 30 30 VAL N N 30 119.570 119.570 115.730 3.840 18793 1742 1 7 . 1 1 30 30 VAL C C 30 175.788 175.788 174.944 0.844 18793 1743 1 7 . 1 1 30 30 VAL CA C 30 61.332 61.332 65.418 -4.085 18793 1744 1 7 . 1 1 30 30 VAL CB C 30 31.889 31.889 31.227 0.662 18793 1745 1 7 . 1 1 30 30 VAL H H 30 7.823 7.823 8.547 -0.724 18793 1746 1 7 . 1 1 31 31 GLU N N 31 124.976 124.976 116.164 8.812 18793 1747 1 7 . 1 1 31 31 GLU C C 31 176.229 176.229 175.845 0.384 18793 1748 1 7 . 1 1 31 31 GLU CA C 31 55.397 55.397 56.158 -0.761 18793 1749 1 7 . 1 1 31 31 GLU CB C 31 28.704 28.704 31.413 -2.709 18793 1750 1 7 . 1 1 31 31 GLU H H 31 8.390 8.390 8.152 0.238 18793 1751 1 7 . 1 1 32 32 GLU N N 32 122.629 122.629 118.378 4.251 18793 1752 1 7 . 1 1 32 32 GLU C C 32 175.788 175.788 175.785 0.003 18793 1753 1 7 . 1 1 32 32 GLU CA C 32 55.444 55.444 57.961 -2.517 18793 1754 1 7 . 1 1 32 32 GLU CB C 32 29.001 29.001 27.773 1.228 18793 1755 1 7 . 1 1 32 32 GLU H H 32 8.307 8.307 8.818 -0.511 18793 1756 1 7 . 1 1 33 33 ASN N N 33 119.996 119.996 112.999 6.997 18793 1757 1 7 . 1 1 33 33 ASN C C 33 174.601 174.601 174.736 -0.135 18793 1758 1 7 . 1 1 33 33 ASN CA C 33 52.555 52.555 54.595 -2.040 18793 1759 1 7 . 1 1 33 33 ASN CB C 33 37.778 37.778 37.067 0.711 18793 1760 1 7 . 1 1 33 33 ASN H H 33 8.386 8.386 8.203 0.183 18793 1761 1 7 . 1 1 34 34 ARG N N 34 122.424 122.424 111.328 11.096 18793 1762 1 7 . 1 1 34 34 ARG C C 34 176.195 176.195 177.071 -0.876 18793 1763 1 7 . 1 1 34 34 ARG CA C 34 55.332 55.332 57.882 -2.550 18793 1764 1 7 . 1 1 34 34 ARG CB C 34 29.334 29.334 27.040 2.294 18793 1765 1 7 . 1 1 34 34 ARG H H 34 8.211 8.211 8.376 -0.165 18793 1766 1 7 . 1 1 35 35 THR N N 35 116.319 116.319 114.772 1.547 18793 1767 1 7 . 1 1 35 35 THR C C 35 174.093 174.093 175.545 -1.452 18793 1768 1 7 . 1 1 35 35 THR CA C 35 60.999 60.999 65.201 -4.202 18793 1769 1 7 . 1 1 35 35 THR CB C 35 68.887 68.887 68.959 -0.072 18793 1770 1 7 . 1 1 35 35 THR H H 35 8.143 8.143 8.105 0.038 18793 1771 1 7 . 1 1 36 36 GLU N N 36 123.405 123.405 118.938 4.467 18793 1772 1 7 . 1 1 36 36 GLU C C 36 175.279 175.279 174.847 0.432 18793 1773 1 7 . 1 1 36 36 GLU CA C 36 55.397 55.397 56.140 -0.743 18793 1774 1 7 . 1 1 36 36 GLU CB C 36 28.815 28.815 29.534 -0.719 18793 1775 1 7 . 1 1 36 36 GLU H H 36 8.270 8.270 8.531 -0.261 18793 1776 1 7 . 1 1 37 37 ALA N N 37 126.500 126.500 124.504 1.996 18793 1777 1 7 . 1 1 37 37 ALA C C 37 175.279 175.279 175.786 -0.507 18793 1778 1 7 . 1 1 37 37 ALA CA C 37 49.638 49.638 50.786 -1.148 18793 1779 1 7 . 1 1 37 37 ALA CB C 37 17.074 17.074 18.940 -1.866 18793 1780 1 7 . 1 1 37 37 ALA H H 37 8.170 8.170 7.900 0.270 18793 1781 1 7 . 1 1 39 39 GLU N N 39 121.397 121.397 117.247 4.150 18793 1782 1 7 . 1 1 39 39 GLU C C 39 176.771 176.771 175.572 1.199 18793 1783 1 7 . 1 1 39 39 GLU CA C 39 55.999 55.999 56.144 -0.145 18793 1784 1 7 . 1 1 39 39 GLU CB C 39 29.001 29.001 29.696 -0.695 18793 1785 1 7 . 1 1 39 39 GLU H H 39 8.480 8.480 8.321 0.159 18793 1786 1 7 . 1 1 40 40 GLY N N 40 110.587 110.587 109.092 1.495 18793 1787 1 7 . 1 1 40 40 GLY C C 40 174.330 174.330 175.356 -1.026 18793 1788 1 7 . 1 1 40 40 GLY CA C 40 44.555 44.555 45.131 -0.576 18793 1789 1 7 . 1 1 40 40 GLY H H 40 8.388 8.388 8.528 -0.140 18793 1790 1 7 . 1 1 41 41 THR N N 41 113.357 113.357 110.650 2.707 18793 1791 1 7 . 1 1 41 41 THR C C 41 175.279 175.279 175.427 -0.148 18793 1792 1 7 . 1 1 41 41 THR CA C 41 61.332 61.332 63.203 -1.871 18793 1793 1 7 . 1 1 41 41 THR CB C 41 68.887 68.887 69.809 -0.922 18793 1794 1 7 . 1 1 41 41 THR H H 41 8.072 8.072 8.065 0.007 18793 1795 1 7 . 1 1 42 42 GLU N N 42 123.483 123.483 118.733 4.750 18793 1796 1 7 . 1 1 42 42 GLU C C 42 177.076 177.076 176.455 0.621 18793 1797 1 7 . 1 1 42 42 GLU CA C 42 56.505 56.505 57.183 -0.678 18793 1798 1 7 . 1 1 42 42 GLU CB C 42 28.040 28.040 30.554 -2.514 18793 1799 1 7 . 1 1 42 42 GLU H H 42 8.741 8.741 8.227 0.514 18793 1800 1 7 . 1 1 43 43 SER N N 43 115.380 115.380 115.936 -0.556 18793 1801 1 7 . 1 1 43 43 SER C C 43 175.483 175.483 174.540 0.943 18793 1802 1 7 . 1 1 43 43 SER CA C 43 57.999 57.999 58.825 -0.826 18793 1803 1 7 . 1 1 43 43 SER CB C 43 62.221 62.221 63.953 -1.732 18793 1804 1 7 . 1 1 43 43 SER H H 43 8.297 8.297 8.243 0.054 18793 1805 1 7 . 1 1 86 86 VAL N N 86 118.964 118.964 121.568 -2.604 18793 1806 1 7 . 1 1 86 86 VAL C C 86 176.466 176.466 176.815 -0.349 18793 1807 1 7 . 1 1 86 86 VAL CA C 86 64.999 64.999 65.186 -0.187 18793 1808 1 7 . 1 1 86 86 VAL CB C 86 30.112 30.112 32.281 -2.169 18793 1809 1 7 . 1 1 86 86 VAL H H 86 7.342 7.342 8.190 -0.848 18793 1810 1 7 . 1 1 87 87 LYS N N 87 118.061 118.061 118.957 -0.896 18793 1811 1 7 . 1 1 87 87 LYS C C 87 178.669 178.669 178.504 0.165 18793 1812 1 7 . 1 1 87 87 LYS CA C 87 58.443 58.443 59.197 -0.754 18793 1813 1 7 . 1 1 87 87 LYS CB C 87 30.778 30.778 31.561 -0.784 18793 1814 1 7 . 1 1 87 87 LYS H H 87 7.312 7.312 8.493 -1.181 18793 1815 1 7 . 1 1 88 88 GLN N N 88 116.417 116.417 120.271 -3.854 18793 1816 1 7 . 1 1 88 88 GLN C C 88 177.212 177.212 177.925 -0.713 18793 1817 1 7 . 1 1 88 88 GLN CA C 88 57.888 57.888 58.597 -0.709 18793 1818 1 7 . 1 1 88 88 GLN CB C 88 26.890 26.890 28.619 -1.729 18793 1819 1 7 . 1 1 88 88 GLN H H 88 7.924 7.924 7.643 0.281 18793 1820 1 7 . 1 1 89 89 ALA N N 89 120.666 120.666 122.281 -1.615 18793 1821 1 7 . 1 1 89 89 ALA C C 89 179.076 179.076 179.837 -0.761 18793 1822 1 7 . 1 1 89 89 ALA CA C 89 53.999 53.999 54.525 -0.526 18793 1823 1 7 . 1 1 89 89 ALA CB C 89 17.113 17.113 17.245 -0.132 18793 1824 1 7 . 1 1 89 89 ALA H H 89 7.605 7.605 8.184 -0.579 18793 1825 1 7 . 1 1 90 90 LEU N N 90 119.883 119.883 119.970 -0.087 18793 1826 1 7 . 1 1 90 90 LEU C C 90 179.178 179.178 179.032 0.146 18793 1827 1 7 . 1 1 90 90 LEU CA C 90 57.332 57.332 57.914 -0.582 18793 1828 1 7 . 1 1 90 90 LEU CB C 90 40.889 40.889 41.824 -0.935 18793 1829 1 7 . 1 1 90 90 LEU H H 90 8.283 8.283 8.300 -0.017 18793 1830 1 7 . 1 1 91 91 ARG N N 91 118.692 118.692 118.886 -0.194 18793 1831 1 7 . 1 1 91 91 ARG C C 91 178.432 178.432 178.393 0.039 18793 1832 1 7 . 1 1 91 91 ARG CA C 91 59.666 59.666 58.608 1.058 18793 1833 1 7 . 1 1 91 91 ARG CB C 91 29.334 29.334 29.313 0.021 18793 1834 1 7 . 1 1 91 91 ARG H H 91 8.011 8.011 7.435 0.576 18793 1835 1 7 . 1 1 92 92 GLU N N 92 116.799 116.799 119.402 -2.603 18793 1836 1 7 . 1 1 92 92 GLU C C 92 179.788 179.788 178.291 1.497 18793 1837 1 7 . 1 1 92 92 GLU CA C 92 58.110 58.110 58.980 -0.870 18793 1838 1 7 . 1 1 92 92 GLU CB C 92 27.890 27.890 29.618 -1.728 18793 1839 1 7 . 1 1 92 92 GLU H H 92 7.802 7.802 7.877 -0.075 18793 1840 1 7 . 1 1 93 93 ALA N N 93 124.583 124.583 120.160 4.423 18793 1841 1 7 . 1 1 93 93 ALA C C 93 180.161 180.161 180.204 -0.043 18793 1842 1 7 . 1 1 93 93 ALA CA C 93 54.290 54.290 53.989 0.301 18793 1843 1 7 . 1 1 93 93 ALA CB C 93 18.071 18.071 19.127 -1.056 18793 1844 1 7 . 1 1 93 93 ALA H H 93 8.795 8.795 8.289 0.506 18793 1845 1 7 . 1 1 94 94 GLY N N 94 107.341 107.341 107.944 -0.603 18793 1846 1 7 . 1 1 94 94 GLY C C 94 175.673 175.673 175.224 0.449 18793 1847 1 7 . 1 1 94 94 GLY CA C 94 46.333 46.333 46.913 -0.580 18793 1848 1 7 . 1 1 94 94 GLY H H 94 8.949 8.949 8.119 0.830 18793 1849 1 7 . 1 1 95 95 ASP N N 95 122.494 122.494 118.307 4.187 18793 1850 1 7 . 1 1 95 95 ASP C C 95 175.822 175.822 176.286 -0.464 18793 1851 1 7 . 1 1 95 95 ASP CA C 95 62.448 62.448 54.059 8.389 18793 1852 1 7 . 1 1 95 95 ASP CB C 95 38.604 38.604 40.528 -1.924 18793 1853 1 7 . 1 1 95 95 ASP H H 95 8.129 8.129 7.492 0.636 18793 1854 1 7 . 1 1 96 96 GLU N N 96 123.198 123.198 119.523 3.675 18793 1855 1 7 . 1 1 96 96 GLU C C 96 177.367 177.367 176.329 1.038 18793 1856 1 7 . 1 1 96 96 GLU CA C 96 57.391 57.391 58.722 -1.331 18793 1857 1 7 . 1 1 96 96 GLU CB C 96 27.929 27.929 30.422 -2.493 18793 1858 1 7 . 1 1 96 96 GLU H H 96 8.691 8.691 7.920 0.771 18793 1859 1 7 . 1 1 97 97 PHE N N 97 113.232 113.232 119.290 -6.058 18793 1860 1 7 . 1 1 97 97 PHE C C 97 175.163 175.163 176.677 -1.514 18793 1861 1 7 . 1 1 97 97 PHE CA C 97 61.888 61.888 60.617 1.271 18793 1862 1 7 . 1 1 97 97 PHE H H 97 7.939 7.939 7.705 0.234 18793 1863 1 8 . 1 1 1 1 MET N N 1 120.233 120.233 118.704 1.529 18793 1864 1 8 . 1 1 1 1 MET C C 1 176.466 176.466 176.630 -0.164 18793 1865 1 8 . 1 1 1 1 MET CA C 1 54.999 54.999 57.959 -2.961 18793 1866 1 8 . 1 1 1 1 MET CB C 1 31.334 31.334 33.395 -2.062 18793 1867 1 8 . 1 1 1 1 MET H H 1 8.288 8.288 8.672 -0.384 18793 1868 1 8 . 1 1 2 2 SER N N 2 117.150 117.150 108.680 8.470 18793 1869 1 8 . 1 1 2 2 SER C C 2 175.585 175.585 175.214 0.371 18793 1870 1 8 . 1 1 2 2 SER CA C 2 58.221 58.221 57.802 0.419 18793 1871 1 8 . 1 1 2 2 SER CB C 2 62.221 62.221 63.474 -1.254 18793 1872 1 8 . 1 1 2 2 SER H H 2 8.191 8.191 7.835 0.356 18793 1873 1 8 . 1 1 3 3 GLN N N 3 122.952 122.952 123.049 -0.097 18793 1874 1 8 . 1 1 3 3 GLN C C 3 176.703 176.703 177.866 -1.163 18793 1875 1 8 . 1 1 3 3 GLN CA C 3 55.888 55.888 59.459 -3.571 18793 1876 1 8 . 1 1 3 3 GLN CB C 3 27.445 27.445 28.615 -1.170 18793 1877 1 8 . 1 1 3 3 GLN H H 3 8.334 8.334 8.441 -0.107 18793 1878 1 8 . 1 1 4 4 SER N N 4 117.024 117.024 115.724 1.300 18793 1879 1 8 . 1 1 4 4 SER C C 4 176.059 176.059 176.331 -0.272 18793 1880 1 8 . 1 1 4 4 SER CA C 4 59.443 59.443 60.531 -1.088 18793 1881 1 8 . 1 1 4 4 SER CB C 4 61.888 61.888 62.265 -0.377 18793 1882 1 8 . 1 1 4 4 SER H H 4 8.300 8.300 8.748 -0.448 18793 1883 1 8 . 1 1 5 5 ASN N N 5 122.025 122.025 120.174 1.851 18793 1884 1 8 . 1 1 5 5 ASN C C 5 177.049 177.049 177.590 -0.541 18793 1885 1 8 . 1 1 5 5 ASN CA C 5 55.110 55.110 56.564 -1.454 18793 1886 1 8 . 1 1 5 5 ASN CB C 5 37.454 37.454 38.442 -0.988 18793 1887 1 8 . 1 1 5 5 ASN H H 5 8.517 8.517 8.635 -0.118 18793 1888 1 8 . 1 1 6 6 ARG N N 6 119.117 119.117 120.254 -1.137 18793 1889 1 8 . 1 1 6 6 ARG C C 6 177.144 177.144 178.518 -1.374 18793 1890 1 8 . 1 1 6 6 ARG CA C 6 57.366 57.366 59.487 -2.121 18793 1891 1 8 . 1 1 6 6 ARG CB C 6 28.348 28.348 30.094 -1.746 18793 1892 1 8 . 1 1 6 6 ARG H H 6 8.194 8.194 7.932 0.262 18793 1893 1 8 . 1 1 7 7 GLU N N 7 117.987 117.987 119.538 -1.551 18793 1894 1 8 . 1 1 7 7 GLU C C 7 179.178 179.178 179.182 -0.004 18793 1895 1 8 . 1 1 7 7 GLU CA C 7 58.332 58.332 59.441 -1.109 18793 1896 1 8 . 1 1 7 7 GLU CB C 7 28.112 28.112 29.273 -1.161 18793 1897 1 8 . 1 1 7 7 GLU H H 7 7.902 7.902 7.853 0.049 18793 1898 1 8 . 1 1 8 8 LEU N N 8 120.359 120.359 121.665 -1.306 18793 1899 1 8 . 1 1 8 8 LEU C C 8 178.161 178.161 178.696 -0.535 18793 1900 1 8 . 1 1 8 8 LEU CA C 8 56.999 56.999 58.656 -1.657 18793 1901 1 8 . 1 1 8 8 LEU CB C 8 40.222 40.222 42.144 -1.922 18793 1902 1 8 . 1 1 8 8 LEU H H 8 7.690 7.690 8.672 -0.982 18793 1903 1 8 . 1 1 9 9 VAL N N 9 117.926 117.926 119.122 -1.196 18793 1904 1 8 . 1 1 9 9 VAL C C 9 176.839 176.839 177.878 -1.039 18793 1905 1 8 . 1 1 9 9 VAL CA C 9 66.554 66.554 67.608 -1.054 18793 1906 1 8 . 1 1 9 9 VAL CB C 9 31.001 31.001 31.832 -0.831 18793 1907 1 8 . 1 1 9 9 VAL H H 9 7.512 7.512 7.816 -0.304 18793 1908 1 8 . 1 1 10 10 VAL N N 10 117.730 117.730 119.534 -1.804 18793 1909 1 8 . 1 1 10 10 VAL C C 10 178.364 178.364 177.507 0.857 18793 1910 1 8 . 1 1 10 10 VAL CA C 10 65.999 65.999 67.321 -1.322 18793 1911 1 8 . 1 1 10 10 VAL CB C 10 30.112 30.112 31.292 -1.180 18793 1912 1 8 . 1 1 10 10 VAL H H 10 8.254 8.254 7.755 0.499 18793 1913 1 8 . 1 1 11 11 ASP N N 11 121.346 121.346 120.906 0.440 18793 1914 1 8 . 1 1 11 11 ASP C C 11 177.212 177.212 178.367 -1.155 18793 1915 1 8 . 1 1 11 11 ASP CA C 11 57.999 57.999 57.970 0.029 18793 1916 1 8 . 1 1 11 11 ASP CB C 11 42.111 42.111 40.993 1.118 18793 1917 1 8 . 1 1 11 11 ASP H H 11 8.029 8.029 8.576 -0.547 18793 1918 1 8 . 1 1 12 12 PHE N N 12 120.632 120.632 120.730 -0.098 18793 1919 1 8 . 1 1 12 12 PHE C C 12 177.890 177.890 177.431 0.459 18793 1920 1 8 . 1 1 12 12 PHE CA C 12 62.110 62.110 60.887 1.223 18793 1921 1 8 . 1 1 12 12 PHE CB C 12 38.778 38.778 39.316 -0.538 18793 1922 1 8 . 1 1 12 12 PHE H H 12 8.120 8.120 7.699 0.421 18793 1923 1 8 . 1 1 13 13 LEU N N 13 117.068 117.068 121.087 -4.019 18793 1924 1 8 . 1 1 13 13 LEU C C 13 179.280 179.280 179.000 0.280 18793 1925 1 8 . 1 1 13 13 LEU CA C 13 57.555 57.555 58.238 -0.683 18793 1926 1 8 . 1 1 13 13 LEU CB C 13 40.222 40.222 40.608 -0.387 18793 1927 1 8 . 1 1 13 13 LEU H H 13 8.770 8.770 8.382 0.388 18793 1928 1 8 . 1 1 14 14 SER N N 14 114.398 114.398 114.222 0.176 18793 1929 1 8 . 1 1 14 14 SER C C 14 176.941 176.941 176.595 0.346 18793 1930 1 8 . 1 1 14 14 SER CA C 14 61.777 61.777 61.864 -0.087 18793 1931 1 8 . 1 1 14 14 SER CB C 14 60.824 60.824 62.948 -2.124 18793 1932 1 8 . 1 1 14 14 SER H H 14 8.407 8.407 8.466 -0.059 18793 1933 1 8 . 1 1 15 15 TYR N N 15 125.435 125.435 122.496 2.939 18793 1934 1 8 . 1 1 15 15 TYR C C 15 177.991 177.991 177.262 0.729 18793 1935 1 8 . 1 1 15 15 TYR CA C 15 59.274 59.274 61.229 -1.955 18793 1936 1 8 . 1 1 15 15 TYR CB C 15 36.457 36.457 38.143 -1.686 18793 1937 1 8 . 1 1 15 15 TYR H H 15 8.129 8.129 7.334 0.795 18793 1938 1 8 . 1 1 16 16 LYS N N 16 120.549 120.549 119.292 1.257 18793 1939 1 8 . 1 1 16 16 LYS C C 16 180.127 180.127 179.417 0.710 18793 1940 1 8 . 1 1 16 16 LYS CA C 16 56.221 56.221 58.537 -2.316 18793 1941 1 8 . 1 1 16 16 LYS CB C 16 28.223 28.223 32.164 -3.941 18793 1942 1 8 . 1 1 16 16 LYS H H 16 8.150 8.150 7.496 0.654 18793 1943 1 8 . 1 1 17 17 LEU N N 17 118.843 118.843 119.773 -0.930 18793 1944 1 8 . 1 1 17 17 LEU C C 17 179.653 179.653 178.409 1.244 18793 1945 1 8 . 1 1 17 17 LEU CA C 17 57.777 57.777 57.283 0.494 18793 1946 1 8 . 1 1 17 17 LEU CB C 17 39.667 39.667 41.729 -2.062 18793 1947 1 8 . 1 1 17 17 LEU H H 17 8.581 8.581 8.438 0.143 18793 1948 1 8 . 1 1 18 18 SER N N 18 117.814 117.814 114.885 2.929 18793 1949 1 8 . 1 1 18 18 SER C C 18 178.297 178.297 176.305 1.992 18793 1950 1 8 . 1 1 18 18 SER CA C 18 60.492 60.492 61.120 -0.628 18793 1951 1 8 . 1 1 18 18 SER CB C 18 61.600 61.600 62.585 -0.985 18793 1952 1 8 . 1 1 18 18 SER H H 18 8.272 8.272 8.052 0.220 18793 1953 1 8 . 1 1 19 19 GLN N N 19 123.182 123.182 119.798 3.384 18793 1954 1 8 . 1 1 19 19 GLN C C 19 176.941 176.941 177.811 -0.870 18793 1955 1 8 . 1 1 19 19 GLN CA C 19 57.666 57.666 58.031 -0.365 18793 1956 1 8 . 1 1 19 19 GLN CB C 19 27.334 27.334 28.745 -1.411 18793 1957 1 8 . 1 1 19 19 GLN H H 19 7.562 7.562 7.546 0.016 18793 1958 1 8 . 1 1 20 20 LYS N N 20 116.732 116.732 117.848 -1.116 18793 1959 1 8 . 1 1 20 20 LYS C C 20 175.178 175.178 176.535 -1.357 18793 1960 1 8 . 1 1 20 20 LYS CA C 20 52.999 52.999 56.271 -3.272 18793 1961 1 8 . 1 1 20 20 LYS CB C 20 31.445 31.445 33.088 -1.643 18793 1962 1 8 . 1 1 20 20 LYS H H 20 7.114 7.114 7.598 -0.484 18793 1963 1 8 . 1 1 21 21 GLY N N 21 105.804 105.804 105.511 0.293 18793 1964 1 8 . 1 1 21 21 GLY C C 21 173.652 173.652 173.983 -0.331 18793 1965 1 8 . 1 1 21 21 GLY CA C 21 44.210 44.210 45.032 -0.822 18793 1966 1 8 . 1 1 21 21 GLY H H 21 7.451 7.451 7.528 -0.077 18793 1967 1 8 . 1 1 22 22 TYR N N 22 120.097 120.097 120.305 -0.208 18793 1968 1 8 . 1 1 22 22 TYR C C 22 174.737 174.737 173.160 1.577 18793 1969 1 8 . 1 1 22 22 TYR CA C 22 54.666 54.666 57.444 -2.778 18793 1970 1 8 . 1 1 22 22 TYR CB C 22 39.667 39.667 41.060 -1.393 18793 1971 1 8 . 1 1 22 22 TYR H H 22 7.769 7.769 7.695 0.074 18793 1972 1 8 . 1 1 23 23 SER N N 23 115.275 115.275 119.996 -4.721 18793 1973 1 8 . 1 1 23 23 SER C C 23 174.262 174.262 173.822 0.440 18793 1974 1 8 . 1 1 23 23 SER CA C 23 55.888 55.888 57.023 -1.135 18793 1975 1 8 . 1 1 23 23 SER CB C 23 63.888 63.888 65.624 -1.736 18793 1976 1 8 . 1 1 23 23 SER H H 23 8.483 8.483 8.272 0.211 18793 1977 1 8 . 1 1 24 24 TRP N N 24 127.826 127.826 125.084 2.742 18793 1978 1 8 . 1 1 24 24 TRP C C 24 176.669 176.669 175.845 0.824 18793 1979 1 8 . 1 1 24 24 TRP CA C 24 59.385 59.385 60.058 -0.673 18793 1980 1 8 . 1 1 24 24 TRP CB C 24 29.479 29.479 29.532 -0.053 18793 1981 1 8 . 1 1 24 24 TRP H H 24 8.928 8.928 8.642 0.286 18793 1982 1 8 . 1 1 25 25 SER N N 25 111.710 111.710 112.162 -0.452 18793 1983 1 8 . 1 1 25 25 SER C C 25 174.974 174.974 174.137 0.837 18793 1984 1 8 . 1 1 25 25 SER CA C 25 59.332 59.332 59.239 0.093 18793 1985 1 8 . 1 1 25 25 SER CB C 25 61.888 61.888 63.954 -2.066 18793 1986 1 8 . 1 1 25 25 SER H H 25 8.146 8.146 8.005 0.141 18793 1987 1 8 . 1 1 26 26 GLN N N 26 119.553 119.553 119.173 0.380 18793 1988 1 8 . 1 1 26 26 GLN C C 26 175.991 175.991 175.490 0.501 18793 1989 1 8 . 1 1 26 26 GLN CA C 26 56.332 56.332 56.579 -0.247 18793 1990 1 8 . 1 1 26 26 GLN CB C 26 27.112 27.112 26.497 0.615 18793 1991 1 8 . 1 1 26 26 GLN H H 26 7.319 7.319 7.626 -0.307 18793 1992 1 8 . 1 1 27 27 PHE N N 27 116.264 116.264 113.995 2.269 18793 1993 1 8 . 1 1 27 27 PHE C C 27 174.635 174.635 174.510 0.125 18793 1994 1 8 . 1 1 27 27 PHE CA C 27 55.555 55.555 59.593 -4.038 18793 1995 1 8 . 1 1 27 27 PHE CB C 27 38.556 38.556 36.708 1.848 18793 1996 1 8 . 1 1 27 27 PHE H H 27 7.109 7.109 7.769 -0.660 18793 1997 1 8 . 1 1 28 28 SER N N 28 114.011 114.011 112.742 1.269 18793 1998 1 8 . 1 1 28 28 SER C C 28 173.313 173.313 173.786 -0.473 18793 1999 1 8 . 1 1 28 28 SER CA C 28 56.555 56.555 58.021 -1.466 18793 2000 1 8 . 1 1 28 28 SER CB C 28 62.665 62.665 64.305 -1.640 18793 2001 1 8 . 1 1 28 28 SER H H 28 7.058 7.058 8.105 -1.047 18793 2002 1 8 . 1 1 29 29 ASP N N 29 123.008 123.008 121.713 1.295 18793 2003 1 8 . 1 1 29 29 ASP C C 29 175.991 175.991 175.639 0.352 18793 2004 1 8 . 1 1 29 29 ASP CA C 29 53.333 53.333 55.409 -2.076 18793 2005 1 8 . 1 1 29 29 ASP CB C 29 39.889 39.889 41.623 -1.734 18793 2006 1 8 . 1 1 29 29 ASP H H 29 8.220 8.220 7.987 0.233 18793 2007 1 8 . 1 1 30 30 VAL N N 30 119.570 119.570 119.967 -0.397 18793 2008 1 8 . 1 1 30 30 VAL C C 30 175.788 175.788 177.206 -1.418 18793 2009 1 8 . 1 1 30 30 VAL CA C 30 61.332 61.332 64.668 -3.336 18793 2010 1 8 . 1 1 30 30 VAL CB C 30 31.889 31.889 32.055 -0.166 18793 2011 1 8 . 1 1 30 30 VAL H H 30 7.823 7.823 8.310 -0.487 18793 2012 1 8 . 1 1 31 31 GLU N N 31 124.976 124.976 119.349 5.627 18793 2013 1 8 . 1 1 31 31 GLU C C 31 176.229 176.229 177.359 -1.130 18793 2014 1 8 . 1 1 31 31 GLU CA C 31 55.397 55.397 58.330 -2.933 18793 2015 1 8 . 1 1 31 31 GLU CB C 31 28.704 28.704 29.477 -0.773 18793 2016 1 8 . 1 1 31 31 GLU H H 31 8.390 8.390 8.289 0.101 18793 2017 1 8 . 1 1 32 32 GLU N N 32 122.629 122.629 118.785 3.844 18793 2018 1 8 . 1 1 32 32 GLU C C 32 175.788 175.788 177.024 -1.236 18793 2019 1 8 . 1 1 32 32 GLU CA C 32 55.444 55.444 57.924 -2.480 18793 2020 1 8 . 1 1 32 32 GLU CB C 32 29.001 29.001 30.284 -1.282 18793 2021 1 8 . 1 1 32 32 GLU H H 32 8.307 8.307 7.584 0.723 18793 2022 1 8 . 1 1 33 33 ASN N N 33 119.996 119.996 116.538 3.458 18793 2023 1 8 . 1 1 33 33 ASN C C 33 174.601 174.601 175.266 -0.665 18793 2024 1 8 . 1 1 33 33 ASN CA C 33 52.555 52.555 53.879 -1.324 18793 2025 1 8 . 1 1 33 33 ASN CB C 33 37.778 37.778 37.975 -0.197 18793 2026 1 8 . 1 1 33 33 ASN H H 33 8.386 8.386 8.029 0.357 18793 2027 1 8 . 1 1 34 34 ARG N N 34 122.424 122.424 122.025 0.399 18793 2028 1 8 . 1 1 34 34 ARG C C 34 176.195 176.195 175.983 0.212 18793 2029 1 8 . 1 1 34 34 ARG CA C 34 55.332 55.332 56.931 -1.599 18793 2030 1 8 . 1 1 34 34 ARG CB C 34 29.334 29.334 30.890 -1.556 18793 2031 1 8 . 1 1 34 34 ARG H H 34 8.211 8.211 8.362 -0.151 18793 2032 1 8 . 1 1 35 35 THR N N 35 116.319 116.319 114.760 1.559 18793 2033 1 8 . 1 1 35 35 THR C C 35 174.093 174.093 173.739 0.354 18793 2034 1 8 . 1 1 35 35 THR CA C 35 60.999 60.999 62.431 -1.432 18793 2035 1 8 . 1 1 35 35 THR CB C 35 68.887 68.887 68.915 -0.028 18793 2036 1 8 . 1 1 35 35 THR H H 35 8.143 8.143 8.056 0.087 18793 2037 1 8 . 1 1 36 36 GLU N N 36 123.405 123.405 121.509 1.896 18793 2038 1 8 . 1 1 36 36 GLU C C 36 175.279 175.279 174.433 0.846 18793 2039 1 8 . 1 1 36 36 GLU CA C 36 55.397 55.397 55.763 -0.366 18793 2040 1 8 . 1 1 36 36 GLU CB C 36 28.815 28.815 30.107 -1.292 18793 2041 1 8 . 1 1 36 36 GLU H H 36 8.270 8.270 7.919 0.351 18793 2042 1 8 . 1 1 37 37 ALA N N 37 126.500 126.500 122.826 3.674 18793 2043 1 8 . 1 1 37 37 ALA C C 37 175.279 175.279 175.108 0.171 18793 2044 1 8 . 1 1 37 37 ALA CA C 37 49.638 49.638 49.235 0.403 18793 2045 1 8 . 1 1 37 37 ALA CB C 37 17.074 17.074 19.113 -2.039 18793 2046 1 8 . 1 1 37 37 ALA H H 37 8.170 8.170 7.679 0.491 18793 2047 1 8 . 1 1 39 39 GLU N N 39 121.397 121.397 124.626 -3.229 18793 2048 1 8 . 1 1 39 39 GLU C C 39 176.771 176.771 176.675 0.096 18793 2049 1 8 . 1 1 39 39 GLU CA C 39 55.999 55.999 57.074 -1.075 18793 2050 1 8 . 1 1 39 39 GLU CB C 39 29.001 29.001 30.359 -1.358 18793 2051 1 8 . 1 1 39 39 GLU H H 39 8.480 8.480 8.302 0.178 18793 2052 1 8 . 1 1 40 40 GLY N N 40 110.587 110.587 106.123 4.464 18793 2053 1 8 . 1 1 40 40 GLY C C 40 174.330 174.330 174.382 -0.052 18793 2054 1 8 . 1 1 40 40 GLY CA C 40 44.555 44.555 45.010 -0.455 18793 2055 1 8 . 1 1 40 40 GLY H H 40 8.388 8.388 8.048 0.340 18793 2056 1 8 . 1 1 41 41 THR N N 41 113.357 113.357 113.232 0.125 18793 2057 1 8 . 1 1 41 41 THR C C 41 175.279 175.279 174.038 1.241 18793 2058 1 8 . 1 1 41 41 THR CA C 41 61.332 61.332 63.659 -2.327 18793 2059 1 8 . 1 1 41 41 THR CB C 41 68.887 68.887 69.115 -0.229 18793 2060 1 8 . 1 1 41 41 THR H H 41 8.072 8.072 7.964 0.108 18793 2061 1 8 . 1 1 42 42 GLU N N 42 123.483 123.483 120.028 3.455 18793 2062 1 8 . 1 1 42 42 GLU C C 42 177.076 177.076 176.074 1.002 18793 2063 1 8 . 1 1 42 42 GLU CA C 42 56.505 56.505 57.017 -0.512 18793 2064 1 8 . 1 1 42 42 GLU CB C 42 28.040 28.040 29.234 -1.194 18793 2065 1 8 . 1 1 42 42 GLU H H 42 8.741 8.741 8.356 0.385 18793 2066 1 8 . 1 1 43 43 SER N N 43 115.380 115.380 117.819 -2.439 18793 2067 1 8 . 1 1 43 43 SER C C 43 175.483 175.483 174.906 0.577 18793 2068 1 8 . 1 1 43 43 SER CA C 43 57.999 57.999 61.480 -3.481 18793 2069 1 8 . 1 1 43 43 SER CB C 43 62.221 62.221 63.685 -1.464 18793 2070 1 8 . 1 1 43 43 SER H H 43 8.297 8.297 8.598 -0.301 18793 2071 1 8 . 1 1 86 86 VAL N N 86 118.964 118.964 121.904 -2.940 18793 2072 1 8 . 1 1 86 86 VAL C C 86 176.466 176.466 176.636 -0.170 18793 2073 1 8 . 1 1 86 86 VAL CA C 86 64.999 64.999 64.794 0.205 18793 2074 1 8 . 1 1 86 86 VAL CB C 86 30.112 30.112 31.953 -1.841 18793 2075 1 8 . 1 1 86 86 VAL H H 86 7.342 7.342 8.453 -1.111 18793 2076 1 8 . 1 1 87 87 LYS N N 87 118.061 118.061 118.964 -0.903 18793 2077 1 8 . 1 1 87 87 LYS C C 87 178.669 178.669 178.966 -0.297 18793 2078 1 8 . 1 1 87 87 LYS CA C 87 58.443 58.443 59.564 -1.121 18793 2079 1 8 . 1 1 87 87 LYS CB C 87 30.778 30.778 32.395 -1.617 18793 2080 1 8 . 1 1 87 87 LYS H H 87 7.312 7.312 8.038 -0.726 18793 2081 1 8 . 1 1 88 88 GLN N N 88 116.417 116.417 118.468 -2.051 18793 2082 1 8 . 1 1 88 88 GLN C C 88 177.212 177.212 178.361 -1.149 18793 2083 1 8 . 1 1 88 88 GLN CA C 88 57.888 57.888 58.132 -0.244 18793 2084 1 8 . 1 1 88 88 GLN CB C 88 26.890 26.890 28.664 -1.774 18793 2085 1 8 . 1 1 88 88 GLN H H 88 7.924 7.924 7.691 0.233 18793 2086 1 8 . 1 1 89 89 ALA N N 89 120.666 120.666 122.890 -2.224 18793 2087 1 8 . 1 1 89 89 ALA C C 89 179.076 179.076 179.514 -0.438 18793 2088 1 8 . 1 1 89 89 ALA CA C 89 53.999 53.999 54.967 -0.968 18793 2089 1 8 . 1 1 89 89 ALA CB C 89 17.113 17.113 17.960 -0.847 18793 2090 1 8 . 1 1 89 89 ALA H H 89 7.605 7.605 8.608 -1.003 18793 2091 1 8 . 1 1 90 90 LEU N N 90 119.883 119.883 118.028 1.855 18793 2092 1 8 . 1 1 90 90 LEU C C 90 179.178 179.178 179.154 0.024 18793 2093 1 8 . 1 1 90 90 LEU CA C 90 57.332 57.332 57.757 -0.425 18793 2094 1 8 . 1 1 90 90 LEU CB C 90 40.889 40.889 41.888 -0.999 18793 2095 1 8 . 1 1 90 90 LEU H H 90 8.283 8.283 8.011 0.272 18793 2096 1 8 . 1 1 91 91 ARG N N 91 118.692 118.692 119.746 -1.054 18793 2097 1 8 . 1 1 91 91 ARG C C 91 178.432 178.432 178.938 -0.506 18793 2098 1 8 . 1 1 91 91 ARG CA C 91 59.666 59.666 59.916 -0.251 18793 2099 1 8 . 1 1 91 91 ARG CB C 91 29.334 29.334 29.968 -0.634 18793 2100 1 8 . 1 1 91 91 ARG H H 91 8.011 8.011 7.451 0.560 18793 2101 1 8 . 1 1 92 92 GLU N N 92 116.799 116.799 117.870 -1.071 18793 2102 1 8 . 1 1 92 92 GLU C C 92 179.788 179.788 178.605 1.183 18793 2103 1 8 . 1 1 92 92 GLU CA C 92 58.110 58.110 58.451 -0.341 18793 2104 1 8 . 1 1 92 92 GLU CB C 92 27.890 27.890 29.666 -1.776 18793 2105 1 8 . 1 1 92 92 GLU H H 92 7.802 7.802 7.557 0.245 18793 2106 1 8 . 1 1 93 93 ALA N N 93 124.583 124.583 121.914 2.669 18793 2107 1 8 . 1 1 93 93 ALA C C 93 180.161 180.161 179.906 0.255 18793 2108 1 8 . 1 1 93 93 ALA CA C 93 54.290 54.290 54.632 -0.342 18793 2109 1 8 . 1 1 93 93 ALA CB C 93 18.071 18.071 18.733 -0.662 18793 2110 1 8 . 1 1 93 93 ALA H H 93 8.795 8.795 7.795 1.000 18793 2111 1 8 . 1 1 94 94 GLY N N 94 107.341 107.341 105.969 1.372 18793 2112 1 8 . 1 1 94 94 GLY C C 94 175.673 175.673 175.127 0.546 18793 2113 1 8 . 1 1 94 94 GLY CA C 94 46.333 46.333 47.025 -0.692 18793 2114 1 8 . 1 1 94 94 GLY H H 94 8.949 8.949 8.437 0.512 18793 2115 1 8 . 1 1 95 95 ASP N N 95 122.494 122.494 118.747 3.747 18793 2116 1 8 . 1 1 95 95 ASP C C 95 175.822 175.822 176.100 -0.278 18793 2117 1 8 . 1 1 95 95 ASP CA C 95 62.448 62.448 54.894 7.554 18793 2118 1 8 . 1 1 95 95 ASP CB C 95 38.604 38.604 40.641 -2.037 18793 2119 1 8 . 1 1 95 95 ASP H H 95 8.129 8.129 7.710 0.419 18793 2120 1 8 . 1 1 96 96 GLU N N 96 123.198 123.198 120.363 2.835 18793 2121 1 8 . 1 1 96 96 GLU C C 96 177.367 177.367 176.632 0.735 18793 2122 1 8 . 1 1 96 96 GLU CA C 96 57.391 57.391 57.576 -0.185 18793 2123 1 8 . 1 1 96 96 GLU CB C 96 27.929 27.929 30.683 -2.754 18793 2124 1 8 . 1 1 96 96 GLU H H 96 8.691 8.691 7.920 0.771 18793 2125 1 8 . 1 1 97 97 PHE N N 97 113.232 113.232 113.916 -0.684 18793 2126 1 8 . 1 1 97 97 PHE C C 97 175.163 175.163 174.481 0.682 18793 2127 1 8 . 1 1 97 97 PHE CA C 97 61.888 61.888 58.399 3.489 18793 2128 1 8 . 1 1 97 97 PHE H H 97 7.939 7.939 7.879 0.060 18793 2129 1 9 . 1 1 1 1 MET N N 1 120.233 120.233 119.345 0.888 18793 2130 1 9 . 1 1 1 1 MET C C 1 176.466 176.466 175.171 1.295 18793 2131 1 9 . 1 1 1 1 MET CA C 1 54.999 54.999 57.740 -2.741 18793 2132 1 9 . 1 1 1 1 MET CB C 1 31.334 31.334 32.388 -1.054 18793 2133 1 9 . 1 1 1 1 MET H H 1 8.288 8.288 8.701 -0.413 18793 2134 1 9 . 1 1 2 2 SER N N 2 117.150 117.150 110.071 7.079 18793 2135 1 9 . 1 1 2 2 SER C C 2 175.585 175.585 174.141 1.444 18793 2136 1 9 . 1 1 2 2 SER CA C 2 58.221 58.221 57.778 0.443 18793 2137 1 9 . 1 1 2 2 SER CB C 2 62.221 62.221 64.631 -2.410 18793 2138 1 9 . 1 1 2 2 SER H H 2 8.191 8.191 8.171 0.020 18793 2139 1 9 . 1 1 3 3 GLN N N 3 122.952 122.952 123.261 -0.309 18793 2140 1 9 . 1 1 3 3 GLN C C 3 176.703 176.703 177.701 -0.998 18793 2141 1 9 . 1 1 3 3 GLN CA C 3 55.888 55.888 58.520 -2.632 18793 2142 1 9 . 1 1 3 3 GLN CB C 3 27.445 27.445 28.671 -1.226 18793 2143 1 9 . 1 1 3 3 GLN H H 3 8.334 8.334 8.841 -0.507 18793 2144 1 9 . 1 1 4 4 SER N N 4 117.024 117.024 113.450 3.574 18793 2145 1 9 . 1 1 4 4 SER C C 4 176.059 176.059 176.439 -0.380 18793 2146 1 9 . 1 1 4 4 SER CA C 4 59.443 59.443 60.441 -0.998 18793 2147 1 9 . 1 1 4 4 SER CB C 4 61.888 61.888 62.794 -0.905 18793 2148 1 9 . 1 1 4 4 SER H H 4 8.300 8.300 8.482 -0.182 18793 2149 1 9 . 1 1 5 5 ASN N N 5 122.025 122.025 119.377 2.648 18793 2150 1 9 . 1 1 5 5 ASN C C 5 177.049 177.049 177.421 -0.372 18793 2151 1 9 . 1 1 5 5 ASN CA C 5 55.110 55.110 55.447 -0.337 18793 2152 1 9 . 1 1 5 5 ASN CB C 5 37.454 37.454 38.118 -0.664 18793 2153 1 9 . 1 1 5 5 ASN H H 5 8.517 8.517 8.400 0.117 18793 2154 1 9 . 1 1 6 6 ARG N N 6 119.117 119.117 121.415 -2.298 18793 2155 1 9 . 1 1 6 6 ARG C C 6 177.144 177.144 178.107 -0.963 18793 2156 1 9 . 1 1 6 6 ARG CA C 6 57.366 57.366 59.657 -2.291 18793 2157 1 9 . 1 1 6 6 ARG CB C 6 28.348 28.348 30.095 -1.747 18793 2158 1 9 . 1 1 6 6 ARG H H 6 8.194 8.194 8.011 0.183 18793 2159 1 9 . 1 1 7 7 GLU N N 7 117.987 117.987 119.131 -1.144 18793 2160 1 9 . 1 1 7 7 GLU C C 7 179.178 179.178 178.548 0.630 18793 2161 1 9 . 1 1 7 7 GLU CA C 7 58.332 58.332 60.178 -1.846 18793 2162 1 9 . 1 1 7 7 GLU CB C 7 28.112 28.112 29.247 -1.135 18793 2163 1 9 . 1 1 7 7 GLU H H 7 7.902 7.902 7.883 0.019 18793 2164 1 9 . 1 1 8 8 LEU N N 8 120.359 120.359 120.042 0.317 18793 2165 1 9 . 1 1 8 8 LEU C C 8 178.161 178.161 178.793 -0.632 18793 2166 1 9 . 1 1 8 8 LEU CA C 8 56.999 56.999 57.832 -0.833 18793 2167 1 9 . 1 1 8 8 LEU CB C 8 40.222 40.222 42.094 -1.872 18793 2168 1 9 . 1 1 8 8 LEU H H 8 7.690 7.690 7.594 0.096 18793 2169 1 9 . 1 1 9 9 VAL N N 9 117.926 117.926 119.542 -1.616 18793 2170 1 9 . 1 1 9 9 VAL C C 9 176.839 176.839 178.439 -1.600 18793 2171 1 9 . 1 1 9 9 VAL CA C 9 66.554 66.554 66.486 0.069 18793 2172 1 9 . 1 1 9 9 VAL CB C 9 31.001 31.001 31.148 -0.147 18793 2173 1 9 . 1 1 9 9 VAL H H 9 7.512 7.512 7.770 -0.258 18793 2174 1 9 . 1 1 10 10 VAL N N 10 117.730 117.730 120.854 -3.124 18793 2175 1 9 . 1 1 10 10 VAL C C 10 178.364 178.364 178.184 0.180 18793 2176 1 9 . 1 1 10 10 VAL CA C 10 65.999 65.999 66.708 -0.709 18793 2177 1 9 . 1 1 10 10 VAL CB C 10 30.112 30.112 30.692 -0.580 18793 2178 1 9 . 1 1 10 10 VAL H H 10 8.254 8.254 8.679 -0.425 18793 2179 1 9 . 1 1 11 11 ASP N N 11 121.346 121.346 120.806 0.540 18793 2180 1 9 . 1 1 11 11 ASP C C 11 177.212 177.212 178.632 -1.420 18793 2181 1 9 . 1 1 11 11 ASP CA C 11 57.999 57.999 57.242 0.757 18793 2182 1 9 . 1 1 11 11 ASP CB C 11 42.111 42.111 40.730 1.381 18793 2183 1 9 . 1 1 11 11 ASP H H 11 8.029 8.029 8.378 -0.349 18793 2184 1 9 . 1 1 12 12 PHE N N 12 120.632 120.632 119.203 1.429 18793 2185 1 9 . 1 1 12 12 PHE C C 12 177.890 177.890 177.874 0.016 18793 2186 1 9 . 1 1 12 12 PHE CA C 12 62.110 62.110 61.245 0.865 18793 2187 1 9 . 1 1 12 12 PHE CB C 12 38.778 38.778 38.712 0.066 18793 2188 1 9 . 1 1 12 12 PHE H H 12 8.120 8.120 7.816 0.304 18793 2189 1 9 . 1 1 13 13 LEU N N 13 117.068 117.068 120.222 -3.154 18793 2190 1 9 . 1 1 13 13 LEU C C 13 179.280 179.280 179.306 -0.026 18793 2191 1 9 . 1 1 13 13 LEU CA C 13 57.555 57.555 58.501 -0.946 18793 2192 1 9 . 1 1 13 13 LEU CB C 13 40.222 40.222 41.870 -1.648 18793 2193 1 9 . 1 1 13 13 LEU H H 13 8.770 8.770 8.808 -0.038 18793 2194 1 9 . 1 1 14 14 SER N N 14 114.398 114.398 114.711 -0.313 18793 2195 1 9 . 1 1 14 14 SER C C 14 176.941 176.941 176.812 0.129 18793 2196 1 9 . 1 1 14 14 SER CA C 14 61.777 61.777 62.030 -0.253 18793 2197 1 9 . 1 1 14 14 SER CB C 14 60.824 60.824 63.030 -2.206 18793 2198 1 9 . 1 1 14 14 SER H H 14 8.407 8.407 8.745 -0.338 18793 2199 1 9 . 1 1 15 15 TYR N N 15 125.435 125.435 123.631 1.804 18793 2200 1 9 . 1 1 15 15 TYR C C 15 177.991 177.991 177.588 0.403 18793 2201 1 9 . 1 1 15 15 TYR CA C 15 59.274 59.274 61.757 -2.483 18793 2202 1 9 . 1 1 15 15 TYR CB C 15 36.457 36.457 38.537 -2.080 18793 2203 1 9 . 1 1 15 15 TYR H H 15 8.129 8.129 7.883 0.246 18793 2204 1 9 . 1 1 16 16 LYS N N 16 120.549 120.549 120.169 0.380 18793 2205 1 9 . 1 1 16 16 LYS C C 16 180.127 180.127 179.429 0.698 18793 2206 1 9 . 1 1 16 16 LYS CA C 16 56.221 56.221 58.313 -2.092 18793 2207 1 9 . 1 1 16 16 LYS CB C 16 28.223 28.223 32.228 -4.005 18793 2208 1 9 . 1 1 16 16 LYS H H 16 8.150 8.150 7.976 0.174 18793 2209 1 9 . 1 1 17 17 LEU N N 17 118.843 118.843 119.882 -1.039 18793 2210 1 9 . 1 1 17 17 LEU C C 17 179.653 179.653 178.289 1.364 18793 2211 1 9 . 1 1 17 17 LEU CA C 17 57.777 57.777 57.477 0.300 18793 2212 1 9 . 1 1 17 17 LEU CB C 17 39.667 39.667 42.009 -2.342 18793 2213 1 9 . 1 1 17 17 LEU H H 17 8.581 8.581 8.327 0.254 18793 2214 1 9 . 1 1 18 18 SER N N 18 117.814 117.814 114.231 3.583 18793 2215 1 9 . 1 1 18 18 SER C C 18 178.297 178.297 176.169 2.128 18793 2216 1 9 . 1 1 18 18 SER CA C 18 60.492 60.492 61.731 -1.239 18793 2217 1 9 . 1 1 18 18 SER CB C 18 61.600 61.600 62.993 -1.393 18793 2218 1 9 . 1 1 18 18 SER H H 18 8.272 8.272 8.078 0.194 18793 2219 1 9 . 1 1 19 19 GLN N N 19 123.182 123.182 118.893 4.289 18793 2220 1 9 . 1 1 19 19 GLN C C 19 176.941 176.941 177.578 -0.637 18793 2221 1 9 . 1 1 19 19 GLN CA C 19 57.666 57.666 58.292 -0.626 18793 2222 1 9 . 1 1 19 19 GLN CB C 19 27.334 27.334 28.544 -1.210 18793 2223 1 9 . 1 1 19 19 GLN H H 19 7.562 7.562 7.789 -0.227 18793 2224 1 9 . 1 1 20 20 LYS N N 20 116.732 116.732 117.250 -0.518 18793 2225 1 9 . 1 1 20 20 LYS C C 20 175.178 175.178 177.205 -2.027 18793 2226 1 9 . 1 1 20 20 LYS CA C 20 52.999 52.999 56.090 -3.091 18793 2227 1 9 . 1 1 20 20 LYS CB C 20 31.445 31.445 33.013 -1.568 18793 2228 1 9 . 1 1 20 20 LYS H H 20 7.114 7.114 7.549 -0.435 18793 2229 1 9 . 1 1 21 21 GLY N N 21 105.804 105.804 106.043 -0.239 18793 2230 1 9 . 1 1 21 21 GLY C C 21 173.652 173.652 173.670 -0.018 18793 2231 1 9 . 1 1 21 21 GLY CA C 21 44.210 44.210 44.904 -0.694 18793 2232 1 9 . 1 1 21 21 GLY H H 21 7.451 7.451 7.606 -0.155 18793 2233 1 9 . 1 1 22 22 TYR N N 22 120.097 120.097 116.850 3.247 18793 2234 1 9 . 1 1 22 22 TYR C C 22 174.737 174.737 173.189 1.548 18793 2235 1 9 . 1 1 22 22 TYR CA C 22 54.666 54.666 56.048 -1.382 18793 2236 1 9 . 1 1 22 22 TYR CB C 22 39.667 39.667 39.438 0.229 18793 2237 1 9 . 1 1 22 22 TYR H H 22 7.769 7.769 6.952 0.817 18793 2238 1 9 . 1 1 23 23 SER N N 23 115.275 115.275 117.136 -1.861 18793 2239 1 9 . 1 1 23 23 SER C C 23 174.262 174.262 174.041 0.221 18793 2240 1 9 . 1 1 23 23 SER CA C 23 55.888 55.888 56.625 -0.737 18793 2241 1 9 . 1 1 23 23 SER CB C 23 63.888 63.888 66.137 -2.249 18793 2242 1 9 . 1 1 23 23 SER H H 23 8.483 8.483 7.956 0.527 18793 2243 1 9 . 1 1 24 24 TRP N N 24 127.826 127.826 124.664 3.162 18793 2244 1 9 . 1 1 24 24 TRP C C 24 176.669 176.669 176.863 -0.194 18793 2245 1 9 . 1 1 24 24 TRP CA C 24 59.385 59.385 59.828 -0.443 18793 2246 1 9 . 1 1 24 24 TRP CB C 24 29.479 29.479 29.847 -0.368 18793 2247 1 9 . 1 1 24 24 TRP H H 24 8.928 8.928 8.820 0.108 18793 2248 1 9 . 1 1 25 25 SER N N 25 111.710 111.710 113.530 -1.820 18793 2249 1 9 . 1 1 25 25 SER C C 25 174.974 174.974 173.992 0.982 18793 2250 1 9 . 1 1 25 25 SER CA C 25 59.332 59.332 59.448 -0.116 18793 2251 1 9 . 1 1 25 25 SER CB C 25 61.888 61.888 63.085 -1.197 18793 2252 1 9 . 1 1 25 25 SER H H 25 8.146 8.146 8.201 -0.055 18793 2253 1 9 . 1 1 26 26 GLN N N 26 119.553 119.553 118.722 0.831 18793 2254 1 9 . 1 1 26 26 GLN C C 26 175.991 175.991 175.026 0.965 18793 2255 1 9 . 1 1 26 26 GLN CA C 26 56.332 56.332 56.486 -0.154 18793 2256 1 9 . 1 1 26 26 GLN CB C 26 27.112 27.112 26.468 0.644 18793 2257 1 9 . 1 1 26 26 GLN H H 26 7.319 7.319 7.092 0.227 18793 2258 1 9 . 1 1 27 27 PHE N N 27 116.264 116.264 116.680 -0.416 18793 2259 1 9 . 1 1 27 27 PHE C C 27 174.635 174.635 175.116 -0.481 18793 2260 1 9 . 1 1 27 27 PHE CA C 27 55.555 55.555 58.668 -3.113 18793 2261 1 9 . 1 1 27 27 PHE CB C 27 38.556 38.556 36.690 1.867 18793 2262 1 9 . 1 1 27 27 PHE H H 27 7.109 7.109 7.359 -0.250 18793 2263 1 9 . 1 1 28 28 SER N N 28 114.011 114.011 112.644 1.367 18793 2264 1 9 . 1 1 28 28 SER C C 28 173.313 173.313 174.936 -1.623 18793 2265 1 9 . 1 1 28 28 SER CA C 28 56.555 56.555 58.820 -2.265 18793 2266 1 9 . 1 1 28 28 SER CB C 28 62.665 62.665 63.364 -0.699 18793 2267 1 9 . 1 1 28 28 SER H H 28 7.058 7.058 8.148 -1.090 18793 2268 1 9 . 1 1 29 29 ASP N N 29 123.008 123.008 125.623 -2.615 18793 2269 1 9 . 1 1 29 29 ASP C C 29 175.991 175.991 176.838 -0.847 18793 2270 1 9 . 1 1 29 29 ASP CA C 29 53.333 53.333 56.483 -3.150 18793 2271 1 9 . 1 1 29 29 ASP CB C 29 39.889 39.889 40.894 -1.005 18793 2272 1 9 . 1 1 29 29 ASP H H 29 8.220 8.220 8.359 -0.139 18793 2273 1 9 . 1 1 30 30 VAL N N 30 119.570 119.570 118.756 0.814 18793 2274 1 9 . 1 1 30 30 VAL C C 30 175.788 175.788 175.208 0.580 18793 2275 1 9 . 1 1 30 30 VAL CA C 30 61.332 61.332 61.983 -0.651 18793 2276 1 9 . 1 1 30 30 VAL CB C 30 31.889 31.889 31.767 0.122 18793 2277 1 9 . 1 1 30 30 VAL H H 30 7.823 7.823 7.940 -0.117 18793 2278 1 9 . 1 1 31 31 GLU N N 31 124.976 124.976 119.717 5.259 18793 2279 1 9 . 1 1 31 31 GLU C C 31 176.229 176.229 176.654 -0.425 18793 2280 1 9 . 1 1 31 31 GLU CA C 31 55.397 55.397 56.773 -1.376 18793 2281 1 9 . 1 1 31 31 GLU CB C 31 28.704 28.704 29.319 -0.615 18793 2282 1 9 . 1 1 31 31 GLU H H 31 8.390 8.390 7.436 0.954 18793 2283 1 9 . 1 1 32 32 GLU N N 32 122.629 122.629 119.435 3.194 18793 2284 1 9 . 1 1 32 32 GLU C C 32 175.788 175.788 175.203 0.585 18793 2285 1 9 . 1 1 32 32 GLU CA C 32 55.444 55.444 55.871 -0.427 18793 2286 1 9 . 1 1 32 32 GLU CB C 32 29.001 29.001 28.889 0.112 18793 2287 1 9 . 1 1 32 32 GLU H H 32 8.307 8.307 8.152 0.155 18793 2288 1 9 . 1 1 33 33 ASN N N 33 119.996 119.996 117.080 2.916 18793 2289 1 9 . 1 1 33 33 ASN C C 33 174.601 174.601 174.862 -0.261 18793 2290 1 9 . 1 1 33 33 ASN CA C 33 52.555 52.555 53.955 -1.400 18793 2291 1 9 . 1 1 33 33 ASN CB C 33 37.778 37.778 38.052 -0.274 18793 2292 1 9 . 1 1 33 33 ASN H H 33 8.386 8.386 7.623 0.763 18793 2293 1 9 . 1 1 34 34 ARG N N 34 122.424 122.424 122.356 0.068 18793 2294 1 9 . 1 1 34 34 ARG C C 34 176.195 176.195 175.686 0.509 18793 2295 1 9 . 1 1 34 34 ARG CA C 34 55.332 55.332 56.782 -1.450 18793 2296 1 9 . 1 1 34 34 ARG CB C 34 29.334 29.334 32.364 -3.030 18793 2297 1 9 . 1 1 34 34 ARG H H 34 8.211 8.211 8.801 -0.590 18793 2298 1 9 . 1 1 35 35 THR N N 35 116.319 116.319 113.962 2.357 18793 2299 1 9 . 1 1 35 35 THR C C 35 174.093 174.093 174.067 0.026 18793 2300 1 9 . 1 1 35 35 THR CA C 35 60.999 60.999 61.757 -0.758 18793 2301 1 9 . 1 1 35 35 THR CB C 35 68.887 68.887 69.699 -0.812 18793 2302 1 9 . 1 1 35 35 THR H H 35 8.143 8.143 8.291 -0.148 18793 2303 1 9 . 1 1 36 36 GLU N N 36 123.405 123.405 122.967 0.438 18793 2304 1 9 . 1 1 36 36 GLU C C 36 175.279 175.279 176.666 -1.387 18793 2305 1 9 . 1 1 36 36 GLU CA C 36 55.397 55.397 57.134 -1.737 18793 2306 1 9 . 1 1 36 36 GLU CB C 36 28.815 28.815 30.174 -1.359 18793 2307 1 9 . 1 1 36 36 GLU H H 36 8.270 8.270 8.578 -0.308 18793 2308 1 9 . 1 1 37 37 ALA N N 37 126.500 126.500 123.326 3.174 18793 2309 1 9 . 1 1 37 37 ALA C C 37 175.279 175.279 175.002 0.277 18793 2310 1 9 . 1 1 37 37 ALA CA C 37 49.638 49.638 50.292 -0.654 18793 2311 1 9 . 1 1 37 37 ALA CB C 37 17.074 17.074 19.067 -1.992 18793 2312 1 9 . 1 1 37 37 ALA H H 37 8.170 8.170 7.725 0.445 18793 2313 1 9 . 1 1 39 39 GLU N N 39 121.397 121.397 118.570 2.827 18793 2314 1 9 . 1 1 39 39 GLU C C 39 176.771 176.771 175.418 1.353 18793 2315 1 9 . 1 1 39 39 GLU CA C 39 55.999 55.999 57.125 -1.126 18793 2316 1 9 . 1 1 39 39 GLU CB C 39 29.001 29.001 30.159 -1.158 18793 2317 1 9 . 1 1 39 39 GLU H H 39 8.480 8.480 8.557 -0.077 18793 2318 1 9 . 1 1 40 40 GLY N N 40 110.587 110.587 108.201 2.386 18793 2319 1 9 . 1 1 40 40 GLY C C 40 174.330 174.330 175.039 -0.709 18793 2320 1 9 . 1 1 40 40 GLY CA C 40 44.555 44.555 45.417 -0.862 18793 2321 1 9 . 1 1 40 40 GLY H H 40 8.388 8.388 8.144 0.244 18793 2322 1 9 . 1 1 41 41 THR N N 41 113.357 113.357 113.450 -0.093 18793 2323 1 9 . 1 1 41 41 THR C C 41 175.279 175.279 174.023 1.256 18793 2324 1 9 . 1 1 41 41 THR CA C 41 61.332 61.332 62.960 -1.628 18793 2325 1 9 . 1 1 41 41 THR CB C 41 68.887 68.887 67.120 1.767 18793 2326 1 9 . 1 1 41 41 THR H H 41 8.072 8.072 8.170 -0.098 18793 2327 1 9 . 1 1 42 42 GLU N N 42 123.483 123.483 116.443 7.040 18793 2328 1 9 . 1 1 42 42 GLU C C 42 177.076 177.076 176.574 0.502 18793 2329 1 9 . 1 1 42 42 GLU CA C 42 56.505 56.505 56.964 -0.459 18793 2330 1 9 . 1 1 42 42 GLU CB C 42 28.040 28.040 29.627 -1.587 18793 2331 1 9 . 1 1 42 42 GLU H H 42 8.741 8.741 8.296 0.445 18793 2332 1 9 . 1 1 43 43 SER N N 43 115.380 115.380 116.623 -1.243 18793 2333 1 9 . 1 1 43 43 SER C C 43 175.483 175.483 175.090 0.393 18793 2334 1 9 . 1 1 43 43 SER CA C 43 57.999 57.999 60.363 -2.364 18793 2335 1 9 . 1 1 43 43 SER CB C 43 62.221 62.221 63.171 -0.950 18793 2336 1 9 . 1 1 43 43 SER H H 43 8.297 8.297 8.400 -0.103 18793 2337 1 9 . 1 1 86 86 VAL N N 86 118.964 118.964 121.547 -2.583 18793 2338 1 9 . 1 1 86 86 VAL C C 86 176.466 176.466 176.154 0.312 18793 2339 1 9 . 1 1 86 86 VAL CA C 86 64.999 64.999 65.394 -0.395 18793 2340 1 9 . 1 1 86 86 VAL CB C 86 30.112 30.112 32.048 -1.936 18793 2341 1 9 . 1 1 86 86 VAL H H 86 7.342 7.342 8.254 -0.912 18793 2342 1 9 . 1 1 87 87 LYS N N 87 118.061 118.061 119.382 -1.321 18793 2343 1 9 . 1 1 87 87 LYS C C 87 178.669 178.669 178.819 -0.150 18793 2344 1 9 . 1 1 87 87 LYS CA C 87 58.443 58.443 59.569 -1.127 18793 2345 1 9 . 1 1 87 87 LYS CB C 87 30.778 30.778 31.986 -1.208 18793 2346 1 9 . 1 1 87 87 LYS H H 87 7.312 7.312 7.672 -0.360 18793 2347 1 9 . 1 1 88 88 GLN N N 88 116.417 116.417 118.921 -2.504 18793 2348 1 9 . 1 1 88 88 GLN C C 88 177.212 177.212 177.652 -0.440 18793 2349 1 9 . 1 1 88 88 GLN CA C 88 57.888 57.888 58.679 -0.791 18793 2350 1 9 . 1 1 88 88 GLN CB C 88 26.890 26.890 28.428 -1.538 18793 2351 1 9 . 1 1 88 88 GLN H H 88 7.924 7.924 7.825 0.099 18793 2352 1 9 . 1 1 89 89 ALA N N 89 120.666 120.666 122.902 -2.236 18793 2353 1 9 . 1 1 89 89 ALA C C 89 179.076 179.076 179.471 -0.395 18793 2354 1 9 . 1 1 89 89 ALA CA C 89 53.999 53.999 55.125 -1.126 18793 2355 1 9 . 1 1 89 89 ALA CB C 89 17.113 17.113 18.464 -1.351 18793 2356 1 9 . 1 1 89 89 ALA H H 89 7.605 7.605 7.888 -0.283 18793 2357 1 9 . 1 1 90 90 LEU N N 90 119.883 119.883 118.148 1.735 18793 2358 1 9 . 1 1 90 90 LEU C C 90 179.178 179.178 178.330 0.848 18793 2359 1 9 . 1 1 90 90 LEU CA C 90 57.332 57.332 57.232 0.100 18793 2360 1 9 . 1 1 90 90 LEU CB C 90 40.889 40.889 41.159 -0.270 18793 2361 1 9 . 1 1 90 90 LEU H H 90 8.283 8.283 8.098 0.185 18793 2362 1 9 . 1 1 91 91 ARG N N 91 118.692 118.692 119.147 -0.455 18793 2363 1 9 . 1 1 91 91 ARG C C 91 178.432 178.432 178.317 0.115 18793 2364 1 9 . 1 1 91 91 ARG CA C 91 59.666 59.666 59.547 0.119 18793 2365 1 9 . 1 1 91 91 ARG CB C 91 29.334 29.334 29.920 -0.586 18793 2366 1 9 . 1 1 91 91 ARG H H 91 8.011 8.011 7.407 0.604 18793 2367 1 9 . 1 1 92 92 GLU N N 92 116.799 116.799 119.243 -2.444 18793 2368 1 9 . 1 1 92 92 GLU C C 92 179.788 179.788 178.456 1.332 18793 2369 1 9 . 1 1 92 92 GLU CA C 92 58.110 58.110 59.440 -1.330 18793 2370 1 9 . 1 1 92 92 GLU CB C 92 27.890 27.890 29.604 -1.714 18793 2371 1 9 . 1 1 92 92 GLU H H 92 7.802 7.802 7.708 0.094 18793 2372 1 9 . 1 1 93 93 ALA N N 93 124.583 124.583 119.470 5.113 18793 2373 1 9 . 1 1 93 93 ALA C C 93 180.161 180.161 180.008 0.153 18793 2374 1 9 . 1 1 93 93 ALA CA C 93 54.290 54.290 54.227 0.063 18793 2375 1 9 . 1 1 93 93 ALA CB C 93 18.071 18.071 18.485 -0.414 18793 2376 1 9 . 1 1 93 93 ALA H H 93 8.795 8.795 7.682 1.113 18793 2377 1 9 . 1 1 94 94 GLY N N 94 107.341 107.341 106.562 0.779 18793 2378 1 9 . 1 1 94 94 GLY C C 94 175.673 175.673 175.521 0.152 18793 2379 1 9 . 1 1 94 94 GLY CA C 94 46.333 46.333 46.781 -0.448 18793 2380 1 9 . 1 1 94 94 GLY H H 94 8.949 8.949 7.824 1.125 18793 2381 1 9 . 1 1 95 95 ASP N N 95 122.494 122.494 120.905 1.589 18793 2382 1 9 . 1 1 95 95 ASP C C 95 175.822 175.822 177.729 -1.907 18793 2383 1 9 . 1 1 95 95 ASP CA C 95 62.448 62.448 56.864 5.584 18793 2384 1 9 . 1 1 95 95 ASP CB C 95 38.604 38.604 40.341 -1.737 18793 2385 1 9 . 1 1 95 95 ASP H H 95 8.129 8.129 7.953 0.176 18793 2386 1 9 . 1 1 96 96 GLU N N 96 123.198 123.198 117.244 5.954 18793 2387 1 9 . 1 1 96 96 GLU C C 96 177.367 177.367 177.947 -0.580 18793 2388 1 9 . 1 1 96 96 GLU CA C 96 57.391 57.391 58.731 -1.340 18793 2389 1 9 . 1 1 96 96 GLU CB C 96 27.929 27.929 31.283 -3.354 18793 2390 1 9 . 1 1 96 96 GLU H H 96 8.691 8.691 8.109 0.582 18793 2391 1 9 . 1 1 97 97 PHE N N 97 113.232 113.232 110.770 2.462 18793 2392 1 9 . 1 1 97 97 PHE C C 97 175.163 175.163 174.395 0.768 18793 2393 1 9 . 1 1 97 97 PHE CA C 97 61.888 61.888 58.761 3.127 18793 2394 1 9 . 1 1 97 97 PHE H H 97 7.939 7.939 7.332 0.607 18793 2395 1 10 . 1 1 1 1 MET N N 1 120.233 120.233 117.853 2.380 18793 2396 1 10 . 1 1 1 1 MET C C 1 176.466 176.466 177.211 -0.745 18793 2397 1 10 . 1 1 1 1 MET CA C 1 54.999 54.999 55.854 -0.855 18793 2398 1 10 . 1 1 1 1 MET CB C 1 31.334 31.334 33.702 -2.368 18793 2399 1 10 . 1 1 1 1 MET H H 1 8.288 8.288 7.745 0.543 18793 2400 1 10 . 1 1 2 2 SER N N 2 117.150 117.150 113.811 3.339 18793 2401 1 10 . 1 1 2 2 SER C C 2 175.585 175.585 175.975 -0.390 18793 2402 1 10 . 1 1 2 2 SER CA C 2 58.221 58.221 59.548 -1.327 18793 2403 1 10 . 1 1 2 2 SER CB C 2 62.221 62.221 62.130 0.091 18793 2404 1 10 . 1 1 2 2 SER H H 2 8.191 8.191 8.354 -0.163 18793 2405 1 10 . 1 1 3 3 GLN N N 3 122.952 122.952 120.299 2.653 18793 2406 1 10 . 1 1 3 3 GLN C C 3 176.703 176.703 177.939 -1.236 18793 2407 1 10 . 1 1 3 3 GLN CA C 3 55.888 55.888 58.949 -3.061 18793 2408 1 10 . 1 1 3 3 GLN CB C 3 27.445 27.445 28.596 -1.151 18793 2409 1 10 . 1 1 3 3 GLN H H 3 8.334 8.334 8.593 -0.259 18793 2410 1 10 . 1 1 4 4 SER N N 4 117.024 117.024 114.881 2.143 18793 2411 1 10 . 1 1 4 4 SER C C 4 176.059 176.059 176.464 -0.405 18793 2412 1 10 . 1 1 4 4 SER CA C 4 59.443 59.443 60.878 -1.435 18793 2413 1 10 . 1 1 4 4 SER CB C 4 61.888 61.888 62.996 -1.108 18793 2414 1 10 . 1 1 4 4 SER H H 4 8.300 8.300 8.420 -0.120 18793 2415 1 10 . 1 1 5 5 ASN N N 5 122.025 122.025 119.544 2.481 18793 2416 1 10 . 1 1 5 5 ASN C C 5 177.049 177.049 177.038 0.011 18793 2417 1 10 . 1 1 5 5 ASN CA C 5 55.110 55.110 56.559 -1.449 18793 2418 1 10 . 1 1 5 5 ASN CB C 5 37.454 37.454 38.063 -0.609 18793 2419 1 10 . 1 1 5 5 ASN H H 5 8.517 8.517 8.438 0.079 18793 2420 1 10 . 1 1 6 6 ARG N N 6 119.117 119.117 121.089 -1.972 18793 2421 1 10 . 1 1 6 6 ARG C C 6 177.144 177.144 178.480 -1.336 18793 2422 1 10 . 1 1 6 6 ARG CA C 6 57.366 57.366 59.792 -2.426 18793 2423 1 10 . 1 1 6 6 ARG CB C 6 28.348 28.348 30.288 -1.940 18793 2424 1 10 . 1 1 6 6 ARG H H 6 8.194 8.194 7.817 0.377 18793 2425 1 10 . 1 1 7 7 GLU N N 7 117.987 117.987 119.806 -1.819 18793 2426 1 10 . 1 1 7 7 GLU C C 7 179.178 179.178 178.786 0.392 18793 2427 1 10 . 1 1 7 7 GLU CA C 7 58.332 58.332 58.623 -0.291 18793 2428 1 10 . 1 1 7 7 GLU CB C 7 28.112 28.112 29.589 -1.477 18793 2429 1 10 . 1 1 7 7 GLU H H 7 7.902 7.902 7.672 0.230 18793 2430 1 10 . 1 1 8 8 LEU N N 8 120.359 120.359 121.207 -0.848 18793 2431 1 10 . 1 1 8 8 LEU C C 8 178.161 178.161 178.861 -0.700 18793 2432 1 10 . 1 1 8 8 LEU CA C 8 56.999 56.999 58.640 -1.641 18793 2433 1 10 . 1 1 8 8 LEU CB C 8 40.222 40.222 42.330 -2.108 18793 2434 1 10 . 1 1 8 8 LEU H H 8 7.690 7.690 7.929 -0.239 18793 2435 1 10 . 1 1 9 9 VAL N N 9 117.926 117.926 115.484 2.442 18793 2436 1 10 . 1 1 9 9 VAL C C 9 176.839 176.839 177.573 -0.734 18793 2437 1 10 . 1 1 9 9 VAL CA C 9 66.554 66.554 66.349 0.205 18793 2438 1 10 . 1 1 9 9 VAL CB C 9 31.001 31.001 31.358 -0.357 18793 2439 1 10 . 1 1 9 9 VAL H H 9 7.512 7.512 7.893 -0.381 18793 2440 1 10 . 1 1 10 10 VAL N N 10 117.730 117.730 120.991 -3.261 18793 2441 1 10 . 1 1 10 10 VAL C C 10 178.364 178.364 178.150 0.214 18793 2442 1 10 . 1 1 10 10 VAL CA C 10 65.999 65.999 66.571 -0.572 18793 2443 1 10 . 1 1 10 10 VAL CB C 10 30.112 30.112 30.670 -0.558 18793 2444 1 10 . 1 1 10 10 VAL H H 10 8.254 8.254 7.258 0.996 18793 2445 1 10 . 1 1 11 11 ASP N N 11 121.346 121.346 120.477 0.869 18793 2446 1 10 . 1 1 11 11 ASP C C 11 177.212 177.212 178.496 -1.284 18793 2447 1 10 . 1 1 11 11 ASP CA C 11 57.999 57.999 57.852 0.147 18793 2448 1 10 . 1 1 11 11 ASP CB C 11 42.111 42.111 41.036 1.075 18793 2449 1 10 . 1 1 11 11 ASP H H 11 8.029 8.029 8.684 -0.655 18793 2450 1 10 . 1 1 12 12 PHE N N 12 120.632 120.632 120.957 -0.325 18793 2451 1 10 . 1 1 12 12 PHE C C 12 177.890 177.890 177.700 0.190 18793 2452 1 10 . 1 1 12 12 PHE CA C 12 62.110 62.110 61.394 0.716 18793 2453 1 10 . 1 1 12 12 PHE CB C 12 38.778 38.778 39.282 -0.504 18793 2454 1 10 . 1 1 12 12 PHE H H 12 8.120 8.120 7.860 0.260 18793 2455 1 10 . 1 1 13 13 LEU N N 13 117.068 117.068 120.212 -3.144 18793 2456 1 10 . 1 1 13 13 LEU C C 13 179.280 179.280 179.198 0.082 18793 2457 1 10 . 1 1 13 13 LEU CA C 13 57.555 57.555 58.329 -0.774 18793 2458 1 10 . 1 1 13 13 LEU CB C 13 40.222 40.222 40.761 -0.539 18793 2459 1 10 . 1 1 13 13 LEU H H 13 8.770 8.770 8.702 0.068 18793 2460 1 10 . 1 1 14 14 SER N N 14 114.398 114.398 114.810 -0.412 18793 2461 1 10 . 1 1 14 14 SER C C 14 176.941 176.941 176.732 0.209 18793 2462 1 10 . 1 1 14 14 SER CA C 14 61.777 61.777 62.290 -0.513 18793 2463 1 10 . 1 1 14 14 SER CB C 14 60.824 60.824 63.096 -2.272 18793 2464 1 10 . 1 1 14 14 SER H H 14 8.407 8.407 8.615 -0.208 18793 2465 1 10 . 1 1 15 15 TYR N N 15 125.435 125.435 122.024 3.411 18793 2466 1 10 . 1 1 15 15 TYR C C 15 177.991 177.991 177.308 0.683 18793 2467 1 10 . 1 1 15 15 TYR CA C 15 59.274 59.274 61.442 -2.168 18793 2468 1 10 . 1 1 15 15 TYR CB C 15 36.457 36.457 38.417 -1.960 18793 2469 1 10 . 1 1 15 15 TYR H H 15 8.129 8.129 7.825 0.304 18793 2470 1 10 . 1 1 16 16 LYS N N 16 120.549 120.549 119.923 0.626 18793 2471 1 10 . 1 1 16 16 LYS C C 16 180.127 180.127 179.497 0.630 18793 2472 1 10 . 1 1 16 16 LYS CA C 16 56.221 56.221 59.319 -3.098 18793 2473 1 10 . 1 1 16 16 LYS CB C 16 28.223 28.223 32.355 -4.132 18793 2474 1 10 . 1 1 16 16 LYS H H 16 8.150 8.150 7.480 0.670 18793 2475 1 10 . 1 1 17 17 LEU N N 17 118.843 118.843 119.617 -0.774 18793 2476 1 10 . 1 1 17 17 LEU C C 17 179.653 179.653 178.379 1.274 18793 2477 1 10 . 1 1 17 17 LEU CA C 17 57.777 57.777 57.683 0.094 18793 2478 1 10 . 1 1 17 17 LEU CB C 17 39.667 39.667 41.874 -2.207 18793 2479 1 10 . 1 1 17 17 LEU H H 17 8.581 8.581 8.678 -0.097 18793 2480 1 10 . 1 1 18 18 SER N N 18 117.814 117.814 115.071 2.743 18793 2481 1 10 . 1 1 18 18 SER C C 18 178.297 178.297 176.860 1.437 18793 2482 1 10 . 1 1 18 18 SER CA C 18 60.492 60.492 60.811 -0.319 18793 2483 1 10 . 1 1 18 18 SER CB C 18 61.600 61.600 62.761 -1.161 18793 2484 1 10 . 1 1 18 18 SER H H 18 8.272 8.272 8.147 0.125 18793 2485 1 10 . 1 1 19 19 GLN N N 19 123.182 123.182 120.723 2.459 18793 2486 1 10 . 1 1 19 19 GLN C C 19 176.941 176.941 177.529 -0.588 18793 2487 1 10 . 1 1 19 19 GLN CA C 19 57.666 57.666 58.177 -0.511 18793 2488 1 10 . 1 1 19 19 GLN CB C 19 27.334 27.334 28.803 -1.469 18793 2489 1 10 . 1 1 19 19 GLN H H 19 7.562 7.562 7.716 -0.154 18793 2490 1 10 . 1 1 20 20 LYS N N 20 116.732 116.732 116.685 0.047 18793 2491 1 10 . 1 1 20 20 LYS C C 20 175.178 175.178 176.145 -0.967 18793 2492 1 10 . 1 1 20 20 LYS CA C 20 52.999 52.999 55.892 -2.893 18793 2493 1 10 . 1 1 20 20 LYS CB C 20 31.445 31.445 33.611 -2.166 18793 2494 1 10 . 1 1 20 20 LYS H H 20 7.114 7.114 7.778 -0.664 18793 2495 1 10 . 1 1 21 21 GLY N N 21 105.804 105.804 107.256 -1.452 18793 2496 1 10 . 1 1 21 21 GLY C C 21 173.652 173.652 173.454 0.198 18793 2497 1 10 . 1 1 21 21 GLY CA C 21 44.210 44.210 45.092 -0.882 18793 2498 1 10 . 1 1 21 21 GLY H H 21 7.451 7.451 7.592 -0.141 18793 2499 1 10 . 1 1 22 22 TYR N N 22 120.097 120.097 118.662 1.435 18793 2500 1 10 . 1 1 22 22 TYR C C 22 174.737 174.737 173.048 1.689 18793 2501 1 10 . 1 1 22 22 TYR CA C 22 54.666 54.666 56.480 -1.814 18793 2502 1 10 . 1 1 22 22 TYR CB C 22 39.667 39.667 40.122 -0.455 18793 2503 1 10 . 1 1 22 22 TYR H H 22 7.769 7.769 7.698 0.071 18793 2504 1 10 . 1 1 23 23 SER N N 23 115.275 115.275 118.709 -3.434 18793 2505 1 10 . 1 1 23 23 SER C C 23 174.262 174.262 174.090 0.172 18793 2506 1 10 . 1 1 23 23 SER CA C 23 55.888 55.888 57.090 -1.202 18793 2507 1 10 . 1 1 23 23 SER CB C 23 63.888 63.888 64.352 -0.464 18793 2508 1 10 . 1 1 23 23 SER H H 23 8.483 8.483 7.250 1.233 18793 2509 1 10 . 1 1 24 24 TRP N N 24 127.826 127.826 127.113 0.713 18793 2510 1 10 . 1 1 24 24 TRP C C 24 176.669 176.669 175.913 0.756 18793 2511 1 10 . 1 1 24 24 TRP CA C 24 59.385 59.385 58.103 1.282 18793 2512 1 10 . 1 1 24 24 TRP CB C 24 29.479 29.479 30.514 -1.035 18793 2513 1 10 . 1 1 24 24 TRP H H 24 8.928 8.928 9.070 -0.142 18793 2514 1 10 . 1 1 25 25 SER N N 25 111.710 111.710 113.808 -2.098 18793 2515 1 10 . 1 1 25 25 SER C C 25 174.974 174.974 175.232 -0.258 18793 2516 1 10 . 1 1 25 25 SER CA C 25 59.332 59.332 60.050 -0.718 18793 2517 1 10 . 1 1 25 25 SER CB C 25 61.888 61.888 63.522 -1.634 18793 2518 1 10 . 1 1 25 25 SER H H 25 8.146 8.146 7.864 0.282 18793 2519 1 10 . 1 1 26 26 GLN N N 26 119.553 119.553 117.127 2.426 18793 2520 1 10 . 1 1 26 26 GLN C C 26 175.991 175.991 174.514 1.477 18793 2521 1 10 . 1 1 26 26 GLN CA C 26 56.332 56.332 56.012 0.320 18793 2522 1 10 . 1 1 26 26 GLN CB C 26 27.112 27.112 28.991 -1.879 18793 2523 1 10 . 1 1 26 26 GLN H H 26 7.319 7.319 7.621 -0.302 18793 2524 1 10 . 1 1 27 27 PHE N N 27 116.264 116.264 118.329 -2.065 18793 2525 1 10 . 1 1 27 27 PHE C C 27 174.635 174.635 175.341 -0.706 18793 2526 1 10 . 1 1 27 27 PHE CA C 27 55.555 55.555 59.327 -3.772 18793 2527 1 10 . 1 1 27 27 PHE CB C 27 38.556 38.556 37.981 0.575 18793 2528 1 10 . 1 1 27 27 PHE H H 27 7.109 7.109 7.966 -0.857 18793 2529 1 10 . 1 1 28 28 SER N N 28 114.011 114.011 113.866 0.145 18793 2530 1 10 . 1 1 28 28 SER C C 28 173.313 173.313 173.227 0.086 18793 2531 1 10 . 1 1 28 28 SER CA C 28 56.555 56.555 58.555 -2.000 18793 2532 1 10 . 1 1 28 28 SER CB C 28 62.665 62.665 64.302 -1.637 18793 2533 1 10 . 1 1 28 28 SER H H 28 7.058 7.058 8.485 -1.427 18793 2534 1 10 . 1 1 29 29 ASP N N 29 123.008 123.008 118.395 4.613 18793 2535 1 10 . 1 1 29 29 ASP C C 29 175.991 175.991 174.969 1.022 18793 2536 1 10 . 1 1 29 29 ASP CA C 29 53.333 53.333 54.553 -1.220 18793 2537 1 10 . 1 1 29 29 ASP CB C 29 39.889 39.889 39.078 0.811 18793 2538 1 10 . 1 1 29 29 ASP H H 29 8.220 8.220 8.452 -0.232 18793 2539 1 10 . 1 1 30 30 VAL N N 30 119.570 119.570 113.519 6.051 18793 2540 1 10 . 1 1 30 30 VAL C C 30 175.788 175.788 176.589 -0.801 18793 2541 1 10 . 1 1 30 30 VAL CA C 30 61.332 61.332 63.271 -1.939 18793 2542 1 10 . 1 1 30 30 VAL CB C 30 31.889 31.889 31.145 0.744 18793 2543 1 10 . 1 1 30 30 VAL H H 30 7.823 7.823 8.044 -0.221 18793 2544 1 10 . 1 1 31 31 GLU N N 31 124.976 124.976 127.786 -2.810 18793 2545 1 10 . 1 1 31 31 GLU C C 31 176.229 176.229 177.411 -1.182 18793 2546 1 10 . 1 1 31 31 GLU CA C 31 55.397 55.397 58.552 -3.155 18793 2547 1 10 . 1 1 31 31 GLU CB C 31 28.704 28.704 29.559 -0.855 18793 2548 1 10 . 1 1 31 31 GLU H H 31 8.390 8.390 9.040 -0.650 18793 2549 1 10 . 1 1 32 32 GLU N N 32 122.629 122.629 117.761 4.868 18793 2550 1 10 . 1 1 32 32 GLU C C 32 175.788 175.788 178.132 -2.344 18793 2551 1 10 . 1 1 32 32 GLU CA C 32 55.444 55.444 58.360 -2.916 18793 2552 1 10 . 1 1 32 32 GLU CB C 32 29.001 29.001 29.590 -0.590 18793 2553 1 10 . 1 1 32 32 GLU H H 32 8.307 8.307 8.336 -0.029 18793 2554 1 10 . 1 1 33 33 ASN N N 33 119.996 119.996 116.544 3.452 18793 2555 1 10 . 1 1 33 33 ASN C C 33 174.601 174.601 174.905 -0.304 18793 2556 1 10 . 1 1 33 33 ASN CA C 33 52.555 52.555 56.210 -3.655 18793 2557 1 10 . 1 1 33 33 ASN CB C 33 37.778 37.778 37.388 0.390 18793 2558 1 10 . 1 1 33 33 ASN H H 33 8.386 8.386 8.632 -0.246 18793 2559 1 10 . 1 1 34 34 ARG N N 34 122.424 122.424 118.997 3.427 18793 2560 1 10 . 1 1 34 34 ARG C C 34 176.195 176.195 175.350 0.845 18793 2561 1 10 . 1 1 34 34 ARG CA C 34 55.332 55.332 56.855 -1.523 18793 2562 1 10 . 1 1 34 34 ARG CB C 34 29.334 29.334 32.185 -2.851 18793 2563 1 10 . 1 1 34 34 ARG H H 34 8.211 8.211 8.209 0.002 18793 2564 1 10 . 1 1 35 35 THR N N 35 116.319 116.319 115.125 1.194 18793 2565 1 10 . 1 1 35 35 THR C C 35 174.093 174.093 174.341 -0.248 18793 2566 1 10 . 1 1 35 35 THR CA C 35 60.999 60.999 62.866 -1.867 18793 2567 1 10 . 1 1 35 35 THR CB C 35 68.887 68.887 68.904 -0.017 18793 2568 1 10 . 1 1 35 35 THR H H 35 8.143 8.143 8.435 -0.292 18793 2569 1 10 . 1 1 36 36 GLU N N 36 123.405 123.405 122.173 1.232 18793 2570 1 10 . 1 1 36 36 GLU C C 36 175.279 175.279 176.708 -1.429 18793 2571 1 10 . 1 1 36 36 GLU CA C 36 55.397 55.397 57.866 -2.469 18793 2572 1 10 . 1 1 36 36 GLU CB C 36 28.815 28.815 30.232 -1.417 18793 2573 1 10 . 1 1 36 36 GLU H H 36 8.270 8.270 8.700 -0.430 18793 2574 1 10 . 1 1 37 37 ALA N N 37 126.500 126.500 124.346 2.154 18793 2575 1 10 . 1 1 37 37 ALA C C 37 175.279 175.279 175.699 -0.420 18793 2576 1 10 . 1 1 37 37 ALA CA C 37 49.638 49.638 49.630 0.008 18793 2577 1 10 . 1 1 37 37 ALA CB C 37 17.074 17.074 19.371 -2.297 18793 2578 1 10 . 1 1 37 37 ALA H H 37 8.170 8.170 8.000 0.170 18793 2579 1 10 . 1 1 39 39 GLU N N 39 121.397 121.397 116.151 5.246 18793 2580 1 10 . 1 1 39 39 GLU C C 39 176.771 176.771 175.237 1.534 18793 2581 1 10 . 1 1 39 39 GLU CA C 39 55.999 55.999 56.401 -0.403 18793 2582 1 10 . 1 1 39 39 GLU CB C 39 29.001 29.001 29.734 -0.733 18793 2583 1 10 . 1 1 39 39 GLU H H 39 8.480 8.480 8.227 0.253 18793 2584 1 10 . 1 1 40 40 GLY N N 40 110.587 110.587 110.133 0.454 18793 2585 1 10 . 1 1 40 40 GLY C C 40 174.330 174.330 175.128 -0.798 18793 2586 1 10 . 1 1 40 40 GLY CA C 40 44.555 44.555 46.690 -2.135 18793 2587 1 10 . 1 1 40 40 GLY H H 40 8.388 8.388 8.587 -0.199 18793 2588 1 10 . 1 1 41 41 THR N N 41 113.357 113.357 109.296 4.061 18793 2589 1 10 . 1 1 41 41 THR C C 41 175.279 175.279 174.744 0.535 18793 2590 1 10 . 1 1 41 41 THR CA C 41 61.332 61.332 62.291 -0.959 18793 2591 1 10 . 1 1 41 41 THR CB C 41 68.887 68.887 70.093 -1.206 18793 2592 1 10 . 1 1 41 41 THR H H 41 8.072 8.072 8.142 -0.070 18793 2593 1 10 . 1 1 42 42 GLU N N 42 123.483 123.483 120.733 2.750 18793 2594 1 10 . 1 1 42 42 GLU C C 42 177.076 177.076 176.560 0.516 18793 2595 1 10 . 1 1 42 42 GLU CA C 42 56.505 56.505 57.193 -0.688 18793 2596 1 10 . 1 1 42 42 GLU CB C 42 28.040 28.040 30.791 -2.751 18793 2597 1 10 . 1 1 42 42 GLU H H 42 8.741 8.741 8.218 0.523 18793 2598 1 10 . 1 1 43 43 SER N N 43 115.380 115.380 116.339 -0.959 18793 2599 1 10 . 1 1 43 43 SER C C 43 175.483 175.483 174.775 0.708 18793 2600 1 10 . 1 1 43 43 SER CA C 43 57.999 57.999 60.684 -2.685 18793 2601 1 10 . 1 1 43 43 SER CB C 43 62.221 62.221 63.440 -1.219 18793 2602 1 10 . 1 1 43 43 SER H H 43 8.297 8.297 8.847 -0.550 18793 2603 1 10 . 1 1 86 86 VAL N N 86 118.964 118.964 121.528 -2.564 18793 2604 1 10 . 1 1 86 86 VAL C C 86 176.466 176.466 176.210 0.256 18793 2605 1 10 . 1 1 86 86 VAL CA C 86 64.999 64.999 65.519 -0.520 18793 2606 1 10 . 1 1 86 86 VAL CB C 86 30.112 30.112 31.874 -1.762 18793 2607 1 10 . 1 1 86 86 VAL H H 86 7.342 7.342 8.381 -1.039 18793 2608 1 10 . 1 1 87 87 LYS N N 87 118.061 118.061 119.915 -1.854 18793 2609 1 10 . 1 1 87 87 LYS C C 87 178.669 178.669 178.636 0.033 18793 2610 1 10 . 1 1 87 87 LYS CA C 87 58.443 58.443 59.587 -1.144 18793 2611 1 10 . 1 1 87 87 LYS CB C 87 30.778 30.778 32.407 -1.629 18793 2612 1 10 . 1 1 87 87 LYS H H 87 7.312 7.312 7.939 -0.627 18793 2613 1 10 . 1 1 88 88 GLN N N 88 116.417 116.417 119.063 -2.646 18793 2614 1 10 . 1 1 88 88 GLN C C 88 177.212 177.212 177.625 -0.413 18793 2615 1 10 . 1 1 88 88 GLN CA C 88 57.888 57.888 58.295 -0.407 18793 2616 1 10 . 1 1 88 88 GLN CB C 88 26.890 26.890 28.169 -1.279 18793 2617 1 10 . 1 1 88 88 GLN H H 88 7.924 7.924 8.165 -0.241 18793 2618 1 10 . 1 1 89 89 ALA N N 89 120.666 120.666 122.584 -1.918 18793 2619 1 10 . 1 1 89 89 ALA C C 89 179.076 179.076 179.467 -0.391 18793 2620 1 10 . 1 1 89 89 ALA CA C 89 53.999 53.999 54.512 -0.513 18793 2621 1 10 . 1 1 89 89 ALA CB C 89 17.113 17.113 17.485 -0.372 18793 2622 1 10 . 1 1 89 89 ALA H H 89 7.605 7.605 7.720 -0.115 18793 2623 1 10 . 1 1 90 90 LEU N N 90 119.883 119.883 119.024 0.859 18793 2624 1 10 . 1 1 90 90 LEU C C 90 179.178 179.178 178.823 0.355 18793 2625 1 10 . 1 1 90 90 LEU CA C 90 57.332 57.332 58.028 -0.696 18793 2626 1 10 . 1 1 90 90 LEU CB C 90 40.889 40.889 41.915 -1.026 18793 2627 1 10 . 1 1 90 90 LEU H H 90 8.283 8.283 8.227 0.056 18793 2628 1 10 . 1 1 91 91 ARG N N 91 118.692 118.692 118.196 0.496 18793 2629 1 10 . 1 1 91 91 ARG C C 91 178.432 178.432 178.666 -0.234 18793 2630 1 10 . 1 1 91 91 ARG CA C 91 59.666 59.666 58.734 0.932 18793 2631 1 10 . 1 1 91 91 ARG CB C 91 29.334 29.334 29.805 -0.471 18793 2632 1 10 . 1 1 91 91 ARG H H 91 8.011 8.011 7.479 0.532 18793 2633 1 10 . 1 1 92 92 GLU N N 92 116.799 116.799 118.893 -2.094 18793 2634 1 10 . 1 1 92 92 GLU C C 92 179.788 179.788 178.906 0.882 18793 2635 1 10 . 1 1 92 92 GLU CA C 92 58.110 58.110 59.147 -1.037 18793 2636 1 10 . 1 1 92 92 GLU CB C 92 27.890 27.890 29.331 -1.441 18793 2637 1 10 . 1 1 92 92 GLU H H 92 7.802 7.802 7.540 0.262 18793 2638 1 10 . 1 1 93 93 ALA N N 93 124.583 124.583 119.973 4.610 18793 2639 1 10 . 1 1 93 93 ALA C C 93 180.161 180.161 179.494 0.667 18793 2640 1 10 . 1 1 93 93 ALA CA C 93 54.290 54.290 54.299 -0.009 18793 2641 1 10 . 1 1 93 93 ALA CB C 93 18.071 18.071 18.815 -0.744 18793 2642 1 10 . 1 1 93 93 ALA H H 93 8.795 8.795 7.965 0.830 18793 2643 1 10 . 1 1 94 94 GLY N N 94 107.341 107.341 105.529 1.812 18793 2644 1 10 . 1 1 94 94 GLY C C 94 175.673 175.673 175.424 0.249 18793 2645 1 10 . 1 1 94 94 GLY CA C 94 46.333 46.333 47.202 -0.869 18793 2646 1 10 . 1 1 94 94 GLY H H 94 8.949 8.949 7.961 0.988 18793 2647 1 10 . 1 1 95 95 ASP N N 95 122.494 122.494 119.749 2.745 18793 2648 1 10 . 1 1 95 95 ASP C C 95 175.822 175.822 177.308 -1.486 18793 2649 1 10 . 1 1 95 95 ASP CA C 95 62.448 62.448 55.688 6.760 18793 2650 1 10 . 1 1 95 95 ASP CB C 95 38.604 38.604 43.092 -4.488 18793 2651 1 10 . 1 1 95 95 ASP H H 95 8.129 8.129 7.882 0.247 18793 2652 1 10 . 1 1 96 96 GLU N N 96 123.198 123.198 120.910 2.288 18793 2653 1 10 . 1 1 96 96 GLU C C 96 177.367 177.367 178.715 -1.348 18793 2654 1 10 . 1 1 96 96 GLU CA C 96 57.391 57.391 57.173 0.218 18793 2655 1 10 . 1 1 96 96 GLU CB C 96 27.929 27.929 29.489 -1.560 18793 2656 1 10 . 1 1 96 96 GLU H H 96 8.691 8.691 7.646 1.045 18793 2657 1 10 . 1 1 97 97 PHE N N 97 113.232 113.232 119.591 -6.359 18793 2658 1 10 . 1 1 97 97 PHE C C 97 175.163 175.163 177.149 -1.986 18793 2659 1 10 . 1 1 97 97 PHE CA C 97 61.888 61.888 61.250 0.638 18793 2660 1 10 . 1 1 97 97 PHE H H 97 7.939 7.939 8.504 -0.565 18793 2661 1 11 . 1 1 1 1 MET N N 1 120.233 120.233 119.129 1.104 18793 2662 1 11 . 1 1 1 1 MET C C 1 176.466 176.466 176.192 0.274 18793 2663 1 11 . 1 1 1 1 MET CA C 1 54.999 54.999 56.387 -1.388 18793 2664 1 11 . 1 1 1 1 MET CB C 1 31.334 31.334 33.289 -1.955 18793 2665 1 11 . 1 1 1 1 MET H H 1 8.288 8.288 7.683 0.605 18793 2666 1 11 . 1 1 2 2 SER N N 2 117.150 117.150 113.951 3.199 18793 2667 1 11 . 1 1 2 2 SER C C 2 175.585 175.585 175.729 -0.144 18793 2668 1 11 . 1 1 2 2 SER CA C 2 58.221 58.221 57.484 0.737 18793 2669 1 11 . 1 1 2 2 SER CB C 2 62.221 62.221 64.359 -2.138 18793 2670 1 11 . 1 1 2 2 SER H H 2 8.191 8.191 8.525 -0.334 18793 2671 1 11 . 1 1 3 3 GLN N N 3 122.952 122.952 122.491 0.461 18793 2672 1 11 . 1 1 3 3 GLN C C 3 176.703 176.703 177.160 -0.457 18793 2673 1 11 . 1 1 3 3 GLN CA C 3 55.888 55.888 59.096 -3.208 18793 2674 1 11 . 1 1 3 3 GLN CB C 3 27.445 27.445 28.250 -0.805 18793 2675 1 11 . 1 1 3 3 GLN H H 3 8.334 8.334 8.285 0.049 18793 2676 1 11 . 1 1 4 4 SER N N 4 117.024 117.024 114.707 2.317 18793 2677 1 11 . 1 1 4 4 SER C C 4 176.059 176.059 176.001 0.058 18793 2678 1 11 . 1 1 4 4 SER CA C 4 59.443 59.443 60.916 -1.472 18793 2679 1 11 . 1 1 4 4 SER CB C 4 61.888 61.888 62.046 -0.158 18793 2680 1 11 . 1 1 4 4 SER H H 4 8.300 8.300 8.685 -0.385 18793 2681 1 11 . 1 1 5 5 ASN N N 5 122.025 122.025 120.858 1.167 18793 2682 1 11 . 1 1 5 5 ASN C C 5 177.049 177.049 177.416 -0.367 18793 2683 1 11 . 1 1 5 5 ASN CA C 5 55.110 55.110 56.016 -0.906 18793 2684 1 11 . 1 1 5 5 ASN CB C 5 37.454 37.454 38.051 -0.597 18793 2685 1 11 . 1 1 5 5 ASN H H 5 8.517 8.517 8.608 -0.091 18793 2686 1 11 . 1 1 6 6 ARG N N 6 119.117 119.117 120.564 -1.447 18793 2687 1 11 . 1 1 6 6 ARG C C 6 177.144 177.144 178.150 -1.006 18793 2688 1 11 . 1 1 6 6 ARG CA C 6 57.366 57.366 59.808 -2.442 18793 2689 1 11 . 1 1 6 6 ARG CB C 6 28.348 28.348 30.309 -1.961 18793 2690 1 11 . 1 1 6 6 ARG H H 6 8.194 8.194 7.921 0.273 18793 2691 1 11 . 1 1 7 7 GLU N N 7 117.987 117.987 119.164 -1.177 18793 2692 1 11 . 1 1 7 7 GLU C C 7 179.178 179.178 178.504 0.674 18793 2693 1 11 . 1 1 7 7 GLU CA C 7 58.332 58.332 59.029 -0.697 18793 2694 1 11 . 1 1 7 7 GLU CB C 7 28.112 28.112 29.590 -1.478 18793 2695 1 11 . 1 1 7 7 GLU H H 7 7.902 7.902 7.753 0.149 18793 2696 1 11 . 1 1 8 8 LEU N N 8 120.359 120.359 121.405 -1.046 18793 2697 1 11 . 1 1 8 8 LEU C C 8 178.161 178.161 178.534 -0.373 18793 2698 1 11 . 1 1 8 8 LEU CA C 8 56.999 56.999 58.262 -1.263 18793 2699 1 11 . 1 1 8 8 LEU CB C 8 40.222 40.222 42.274 -2.052 18793 2700 1 11 . 1 1 8 8 LEU H H 8 7.690 7.690 7.445 0.245 18793 2701 1 11 . 1 1 9 9 VAL N N 9 117.926 117.926 115.494 2.432 18793 2702 1 11 . 1 1 9 9 VAL C C 9 176.839 176.839 177.900 -1.061 18793 2703 1 11 . 1 1 9 9 VAL CA C 9 66.554 66.554 66.002 0.552 18793 2704 1 11 . 1 1 9 9 VAL CB C 9 31.001 31.001 30.706 0.295 18793 2705 1 11 . 1 1 9 9 VAL H H 9 7.512 7.512 8.221 -0.709 18793 2706 1 11 . 1 1 10 10 VAL N N 10 117.730 117.730 120.892 -3.162 18793 2707 1 11 . 1 1 10 10 VAL C C 10 178.364 178.364 177.623 0.741 18793 2708 1 11 . 1 1 10 10 VAL CA C 10 65.999 65.999 66.147 -0.148 18793 2709 1 11 . 1 1 10 10 VAL CB C 10 30.112 30.112 31.148 -1.036 18793 2710 1 11 . 1 1 10 10 VAL H H 10 8.254 8.254 7.404 0.850 18793 2711 1 11 . 1 1 11 11 ASP N N 11 121.346 121.346 122.503 -1.157 18793 2712 1 11 . 1 1 11 11 ASP C C 11 177.212 177.212 178.272 -1.060 18793 2713 1 11 . 1 1 11 11 ASP CA C 11 57.999 57.999 57.025 0.974 18793 2714 1 11 . 1 1 11 11 ASP CB C 11 42.111 42.111 40.937 1.174 18793 2715 1 11 . 1 1 11 11 ASP H H 11 8.029 8.029 8.385 -0.356 18793 2716 1 11 . 1 1 12 12 PHE N N 12 120.632 120.632 119.369 1.263 18793 2717 1 11 . 1 1 12 12 PHE C C 12 177.890 177.890 177.537 0.353 18793 2718 1 11 . 1 1 12 12 PHE CA C 12 62.110 62.110 60.733 1.377 18793 2719 1 11 . 1 1 12 12 PHE CB C 12 38.778 38.778 39.046 -0.268 18793 2720 1 11 . 1 1 12 12 PHE H H 12 8.120 8.120 7.913 0.207 18793 2721 1 11 . 1 1 13 13 LEU N N 13 117.068 117.068 122.259 -5.191 18793 2722 1 11 . 1 1 13 13 LEU C C 13 179.280 179.280 178.393 0.887 18793 2723 1 11 . 1 1 13 13 LEU CA C 13 57.555 57.555 56.928 0.627 18793 2724 1 11 . 1 1 13 13 LEU CB C 13 40.222 40.222 40.828 -0.606 18793 2725 1 11 . 1 1 13 13 LEU H H 13 8.770 8.770 7.232 1.538 18793 2726 1 11 . 1 1 14 14 SER N N 14 114.398 114.398 115.548 -1.150 18793 2727 1 11 . 1 1 14 14 SER C C 14 176.941 176.941 177.145 -0.204 18793 2728 1 11 . 1 1 14 14 SER CA C 14 61.777 61.777 61.850 -0.073 18793 2729 1 11 . 1 1 14 14 SER CB C 14 60.824 60.824 62.786 -1.962 18793 2730 1 11 . 1 1 14 14 SER H H 14 8.407 8.407 8.488 -0.081 18793 2731 1 11 . 1 1 15 15 TYR N N 15 125.435 125.435 124.504 0.931 18793 2732 1 11 . 1 1 15 15 TYR C C 15 177.991 177.991 177.244 0.747 18793 2733 1 11 . 1 1 15 15 TYR CA C 15 59.274 59.274 60.897 -1.623 18793 2734 1 11 . 1 1 15 15 TYR CB C 15 36.457 36.457 38.583 -2.126 18793 2735 1 11 . 1 1 15 15 TYR H H 15 8.129 8.129 8.303 -0.174 18793 2736 1 11 . 1 1 16 16 LYS N N 16 120.549 120.549 119.275 1.274 18793 2737 1 11 . 1 1 16 16 LYS C C 16 180.127 180.127 179.381 0.746 18793 2738 1 11 . 1 1 16 16 LYS CA C 16 56.221 56.221 58.406 -2.185 18793 2739 1 11 . 1 1 16 16 LYS CB C 16 28.223 28.223 31.942 -3.719 18793 2740 1 11 . 1 1 16 16 LYS H H 16 8.150 8.150 7.684 0.466 18793 2741 1 11 . 1 1 17 17 LEU N N 17 118.843 118.843 120.876 -2.033 18793 2742 1 11 . 1 1 17 17 LEU C C 17 179.653 179.653 178.348 1.305 18793 2743 1 11 . 1 1 17 17 LEU CA C 17 57.777 57.777 57.376 0.401 18793 2744 1 11 . 1 1 17 17 LEU CB C 17 39.667 39.667 41.712 -2.045 18793 2745 1 11 . 1 1 17 17 LEU H H 17 8.581 8.581 8.755 -0.174 18793 2746 1 11 . 1 1 18 18 SER N N 18 117.814 117.814 114.724 3.090 18793 2747 1 11 . 1 1 18 18 SER C C 18 178.297 178.297 176.787 1.510 18793 2748 1 11 . 1 1 18 18 SER CA C 18 60.492 60.492 61.234 -0.742 18793 2749 1 11 . 1 1 18 18 SER CB C 18 61.600 61.600 62.824 -1.224 18793 2750 1 11 . 1 1 18 18 SER H H 18 8.272 8.272 7.973 0.299 18793 2751 1 11 . 1 1 19 19 GLN N N 19 123.182 123.182 120.593 2.589 18793 2752 1 11 . 1 1 19 19 GLN C C 19 176.941 176.941 176.690 0.251 18793 2753 1 11 . 1 1 19 19 GLN CA C 19 57.666 57.666 57.865 -0.199 18793 2754 1 11 . 1 1 19 19 GLN CB C 19 27.334 27.334 29.228 -1.894 18793 2755 1 11 . 1 1 19 19 GLN H H 19 7.562 7.562 7.418 0.144 18793 2756 1 11 . 1 1 20 20 LYS N N 20 116.732 116.732 117.320 -0.588 18793 2757 1 11 . 1 1 20 20 LYS C C 20 175.178 175.178 174.788 0.390 18793 2758 1 11 . 1 1 20 20 LYS CA C 20 52.999 52.999 56.137 -3.138 18793 2759 1 11 . 1 1 20 20 LYS CB C 20 31.445 31.445 33.474 -2.029 18793 2760 1 11 . 1 1 20 20 LYS H H 20 7.114 7.114 7.956 -0.842 18793 2761 1 11 . 1 1 21 21 GLY N N 21 105.804 105.804 107.700 -1.896 18793 2762 1 11 . 1 1 21 21 GLY C C 21 173.652 173.652 173.927 -0.275 18793 2763 1 11 . 1 1 21 21 GLY CA C 21 44.210 44.210 44.844 -0.634 18793 2764 1 11 . 1 1 21 21 GLY H H 21 7.451 7.451 7.472 -0.021 18793 2765 1 11 . 1 1 22 22 TYR N N 22 120.097 120.097 117.520 2.577 18793 2766 1 11 . 1 1 22 22 TYR C C 22 174.737 174.737 176.190 -1.453 18793 2767 1 11 . 1 1 22 22 TYR CA C 22 54.666 54.666 55.262 -0.596 18793 2768 1 11 . 1 1 22 22 TYR CB C 22 39.667 39.667 38.150 1.517 18793 2769 1 11 . 1 1 22 22 TYR H H 22 7.769 7.769 6.967 0.802 18793 2770 1 11 . 1 1 23 23 SER N N 23 115.275 115.275 116.336 -1.061 18793 2771 1 11 . 1 1 23 23 SER C C 23 174.262 174.262 176.622 -2.360 18793 2772 1 11 . 1 1 23 23 SER CA C 23 55.888 55.888 58.204 -2.316 18793 2773 1 11 . 1 1 23 23 SER CB C 23 63.888 63.888 63.416 0.472 18793 2774 1 11 . 1 1 23 23 SER H H 23 8.483 8.483 8.543 -0.060 18793 2775 1 11 . 1 1 24 24 TRP N N 24 127.826 127.826 125.523 2.303 18793 2776 1 11 . 1 1 24 24 TRP C C 24 176.669 176.669 176.681 -0.012 18793 2777 1 11 . 1 1 24 24 TRP CA C 24 59.385 59.385 58.208 1.177 18793 2778 1 11 . 1 1 24 24 TRP CB C 24 29.479 29.479 28.197 1.282 18793 2779 1 11 . 1 1 24 24 TRP H H 24 8.928 8.928 8.731 0.197 18793 2780 1 11 . 1 1 25 25 SER N N 25 111.710 111.710 116.127 -4.417 18793 2781 1 11 . 1 1 25 25 SER C C 25 174.974 174.974 175.137 -0.163 18793 2782 1 11 . 1 1 25 25 SER CA C 25 59.332 59.332 59.440 -0.108 18793 2783 1 11 . 1 1 25 25 SER CB C 25 61.888 61.888 63.066 -1.178 18793 2784 1 11 . 1 1 25 25 SER H H 25 8.146 8.146 6.801 1.345 18793 2785 1 11 . 1 1 26 26 GLN N N 26 119.553 119.553 115.631 3.922 18793 2786 1 11 . 1 1 26 26 GLN C C 26 175.991 175.991 174.495 1.496 18793 2787 1 11 . 1 1 26 26 GLN CA C 26 56.332 56.332 57.125 -0.793 18793 2788 1 11 . 1 1 26 26 GLN CB C 26 27.112 27.112 27.511 -0.399 18793 2789 1 11 . 1 1 26 26 GLN H H 26 7.319 7.319 7.974 -0.655 18793 2790 1 11 . 1 1 27 27 PHE N N 27 116.264 116.264 115.605 0.659 18793 2791 1 11 . 1 1 27 27 PHE C C 27 174.635 174.635 174.632 0.003 18793 2792 1 11 . 1 1 27 27 PHE CA C 27 55.555 55.555 57.461 -1.906 18793 2793 1 11 . 1 1 27 27 PHE CB C 27 38.556 38.556 39.181 -0.625 18793 2794 1 11 . 1 1 27 27 PHE H H 27 7.109 7.109 7.901 -0.792 18793 2795 1 11 . 1 1 28 28 SER N N 28 114.011 114.011 115.945 -1.934 18793 2796 1 11 . 1 1 28 28 SER C C 28 173.313 173.313 174.833 -1.520 18793 2797 1 11 . 1 1 28 28 SER CA C 28 56.555 56.555 62.535 -5.981 18793 2798 1 11 . 1 1 28 28 SER CB C 28 62.665 62.665 63.678 -1.014 18793 2799 1 11 . 1 1 28 28 SER H H 28 7.058 7.058 8.161 -1.103 18793 2800 1 11 . 1 1 29 29 ASP N N 29 123.008 123.008 118.393 4.615 18793 2801 1 11 . 1 1 29 29 ASP C C 29 175.991 175.991 175.703 0.288 18793 2802 1 11 . 1 1 29 29 ASP CA C 29 53.333 53.333 54.896 -1.563 18793 2803 1 11 . 1 1 29 29 ASP CB C 29 39.889 39.889 39.952 -0.063 18793 2804 1 11 . 1 1 29 29 ASP H H 29 8.220 8.220 8.615 -0.395 18793 2805 1 11 . 1 1 30 30 VAL N N 30 119.570 119.570 112.571 6.999 18793 2806 1 11 . 1 1 30 30 VAL C C 30 175.788 175.788 174.911 0.877 18793 2807 1 11 . 1 1 30 30 VAL CA C 30 61.332 61.332 62.832 -1.500 18793 2808 1 11 . 1 1 30 30 VAL CB C 30 31.889 31.889 29.531 2.358 18793 2809 1 11 . 1 1 30 30 VAL H H 30 7.823 7.823 8.325 -0.502 18793 2810 1 11 . 1 1 31 31 GLU N N 31 124.976 124.976 114.176 10.800 18793 2811 1 11 . 1 1 31 31 GLU C C 31 176.229 176.229 175.751 0.478 18793 2812 1 11 . 1 1 31 31 GLU CA C 31 55.397 55.397 58.195 -2.798 18793 2813 1 11 . 1 1 31 31 GLU CB C 31 28.704 28.704 27.751 0.953 18793 2814 1 11 . 1 1 31 31 GLU H H 31 8.390 8.390 8.130 0.260 18793 2815 1 11 . 1 1 32 32 GLU N N 32 122.629 122.629 118.053 4.576 18793 2816 1 11 . 1 1 32 32 GLU C C 32 175.788 175.788 176.807 -1.019 18793 2817 1 11 . 1 1 32 32 GLU CA C 32 55.444 55.444 56.586 -1.142 18793 2818 1 11 . 1 1 32 32 GLU CB C 32 29.001 29.001 30.996 -1.995 18793 2819 1 11 . 1 1 32 32 GLU H H 32 8.307 8.307 7.994 0.313 18793 2820 1 11 . 1 1 33 33 ASN N N 33 119.996 119.996 119.039 0.957 18793 2821 1 11 . 1 1 33 33 ASN C C 33 174.601 174.601 174.172 0.429 18793 2822 1 11 . 1 1 33 33 ASN CA C 33 52.555 52.555 53.349 -0.794 18793 2823 1 11 . 1 1 33 33 ASN CB C 33 37.778 37.778 37.585 0.193 18793 2824 1 11 . 1 1 33 33 ASN H H 33 8.386 8.386 8.520 -0.134 18793 2825 1 11 . 1 1 34 34 ARG N N 34 122.424 122.424 120.704 1.720 18793 2826 1 11 . 1 1 34 34 ARG C C 34 176.195 176.195 174.857 1.338 18793 2827 1 11 . 1 1 34 34 ARG CA C 34 55.332 55.332 57.284 -1.952 18793 2828 1 11 . 1 1 34 34 ARG CB C 34 29.334 29.334 28.651 0.683 18793 2829 1 11 . 1 1 34 34 ARG H H 34 8.211 8.211 8.799 -0.588 18793 2830 1 11 . 1 1 35 35 THR N N 35 116.319 116.319 113.091 3.228 18793 2831 1 11 . 1 1 35 35 THR C C 35 174.093 174.093 173.132 0.961 18793 2832 1 11 . 1 1 35 35 THR CA C 35 60.999 60.999 62.442 -1.443 18793 2833 1 11 . 1 1 35 35 THR CB C 35 68.887 68.887 70.109 -1.222 18793 2834 1 11 . 1 1 35 35 THR H H 35 8.143 8.143 8.009 0.134 18793 2835 1 11 . 1 1 36 36 GLU N N 36 123.405 123.405 119.515 3.890 18793 2836 1 11 . 1 1 36 36 GLU C C 36 175.279 175.279 175.767 -0.488 18793 2837 1 11 . 1 1 36 36 GLU CA C 36 55.397 55.397 57.485 -2.088 18793 2838 1 11 . 1 1 36 36 GLU CB C 36 28.815 28.815 27.344 1.471 18793 2839 1 11 . 1 1 36 36 GLU H H 36 8.270 8.270 8.295 -0.025 18793 2840 1 11 . 1 1 37 37 ALA N N 37 126.500 126.500 123.261 3.239 18793 2841 1 11 . 1 1 37 37 ALA C C 37 175.279 175.279 175.754 -0.475 18793 2842 1 11 . 1 1 37 37 ALA CA C 37 49.638 49.638 49.637 0.001 18793 2843 1 11 . 1 1 37 37 ALA CB C 37 17.074 17.074 19.603 -2.529 18793 2844 1 11 . 1 1 37 37 ALA H H 37 8.170 8.170 7.707 0.463 18793 2845 1 11 . 1 1 39 39 GLU N N 39 121.397 121.397 122.812 -1.415 18793 2846 1 11 . 1 1 39 39 GLU C C 39 176.771 176.771 177.369 -0.598 18793 2847 1 11 . 1 1 39 39 GLU CA C 39 55.999 55.999 57.795 -1.796 18793 2848 1 11 . 1 1 39 39 GLU CB C 39 29.001 29.001 30.021 -1.020 18793 2849 1 11 . 1 1 39 39 GLU H H 39 8.480 8.480 8.594 -0.114 18793 2850 1 11 . 1 1 40 40 GLY N N 40 110.587 110.587 106.697 3.890 18793 2851 1 11 . 1 1 40 40 GLY C C 40 174.330 174.330 174.366 -0.036 18793 2852 1 11 . 1 1 40 40 GLY CA C 40 44.555 44.555 46.350 -1.795 18793 2853 1 11 . 1 1 40 40 GLY H H 40 8.388 8.388 8.382 0.006 18793 2854 1 11 . 1 1 41 41 THR N N 41 113.357 113.357 108.837 4.520 18793 2855 1 11 . 1 1 41 41 THR C C 41 175.279 175.279 174.148 1.131 18793 2856 1 11 . 1 1 41 41 THR CA C 41 61.332 61.332 61.907 -0.575 18793 2857 1 11 . 1 1 41 41 THR CB C 41 68.887 68.887 70.125 -1.238 18793 2858 1 11 . 1 1 41 41 THR H H 41 8.072 8.072 7.701 0.371 18793 2859 1 11 . 1 1 42 42 GLU N N 42 123.483 123.483 119.934 3.549 18793 2860 1 11 . 1 1 42 42 GLU C C 42 177.076 177.076 176.038 1.038 18793 2861 1 11 . 1 1 42 42 GLU CA C 42 56.505 56.505 57.645 -1.140 18793 2862 1 11 . 1 1 42 42 GLU CB C 42 28.040 28.040 30.436 -2.396 18793 2863 1 11 . 1 1 42 42 GLU H H 42 8.741 8.741 8.203 0.538 18793 2864 1 11 . 1 1 43 43 SER N N 43 115.380 115.380 115.949 -0.569 18793 2865 1 11 . 1 1 43 43 SER C C 43 175.483 175.483 174.419 1.064 18793 2866 1 11 . 1 1 43 43 SER CA C 43 57.999 57.999 61.221 -3.223 18793 2867 1 11 . 1 1 43 43 SER CB C 43 62.221 62.221 63.363 -1.142 18793 2868 1 11 . 1 1 43 43 SER H H 43 8.297 8.297 8.677 -0.380 18793 2869 1 11 . 1 1 86 86 VAL N N 86 118.964 118.964 121.497 -2.533 18793 2870 1 11 . 1 1 86 86 VAL C C 86 176.466 176.466 176.194 0.272 18793 2871 1 11 . 1 1 86 86 VAL CA C 86 64.999 64.999 65.246 -0.247 18793 2872 1 11 . 1 1 86 86 VAL CB C 86 30.112 30.112 31.685 -1.573 18793 2873 1 11 . 1 1 86 86 VAL H H 86 7.342 7.342 8.395 -1.053 18793 2874 1 11 . 1 1 87 87 LYS N N 87 118.061 118.061 120.000 -1.939 18793 2875 1 11 . 1 1 87 87 LYS C C 87 178.669 178.669 178.401 0.268 18793 2876 1 11 . 1 1 87 87 LYS CA C 87 58.443 58.443 59.589 -1.146 18793 2877 1 11 . 1 1 87 87 LYS CB C 87 30.778 30.778 32.206 -1.428 18793 2878 1 11 . 1 1 87 87 LYS H H 87 7.312 7.312 7.894 -0.582 18793 2879 1 11 . 1 1 88 88 GLN N N 88 116.417 116.417 119.055 -2.638 18793 2880 1 11 . 1 1 88 88 GLN C C 88 177.212 177.212 178.007 -0.795 18793 2881 1 11 . 1 1 88 88 GLN CA C 88 57.888 57.888 58.598 -0.710 18793 2882 1 11 . 1 1 88 88 GLN CB C 88 26.890 26.890 28.679 -1.789 18793 2883 1 11 . 1 1 88 88 GLN H H 88 7.924 7.924 7.909 0.015 18793 2884 1 11 . 1 1 89 89 ALA N N 89 120.666 120.666 123.073 -2.407 18793 2885 1 11 . 1 1 89 89 ALA C C 89 179.076 179.076 179.165 -0.089 18793 2886 1 11 . 1 1 89 89 ALA CA C 89 53.999 53.999 55.048 -1.049 18793 2887 1 11 . 1 1 89 89 ALA CB C 89 17.113 17.113 18.193 -1.080 18793 2888 1 11 . 1 1 89 89 ALA H H 89 7.605 7.605 8.141 -0.536 18793 2889 1 11 . 1 1 90 90 LEU N N 90 119.883 119.883 118.953 0.930 18793 2890 1 11 . 1 1 90 90 LEU C C 90 179.178 179.178 178.768 0.410 18793 2891 1 11 . 1 1 90 90 LEU CA C 90 57.332 57.332 58.210 -0.878 18793 2892 1 11 . 1 1 90 90 LEU CB C 90 40.889 40.889 41.529 -0.640 18793 2893 1 11 . 1 1 90 90 LEU H H 90 8.283 8.283 7.226 1.057 18793 2894 1 11 . 1 1 91 91 ARG N N 91 118.692 118.692 118.655 0.037 18793 2895 1 11 . 1 1 91 91 ARG C C 91 178.432 178.432 178.338 0.094 18793 2896 1 11 . 1 1 91 91 ARG CA C 91 59.666 59.666 59.531 0.135 18793 2897 1 11 . 1 1 91 91 ARG CB C 91 29.334 29.334 30.017 -0.683 18793 2898 1 11 . 1 1 91 91 ARG H H 91 8.011 8.011 7.694 0.317 18793 2899 1 11 . 1 1 92 92 GLU N N 92 116.799 116.799 118.330 -1.531 18793 2900 1 11 . 1 1 92 92 GLU C C 92 179.788 179.788 178.770 1.018 18793 2901 1 11 . 1 1 92 92 GLU CA C 92 58.110 58.110 58.630 -0.520 18793 2902 1 11 . 1 1 92 92 GLU CB C 92 27.890 27.890 29.169 -1.279 18793 2903 1 11 . 1 1 92 92 GLU H H 92 7.802 7.802 7.614 0.188 18793 2904 1 11 . 1 1 93 93 ALA N N 93 124.583 124.583 122.355 2.228 18793 2905 1 11 . 1 1 93 93 ALA C C 93 180.161 180.161 179.696 0.465 18793 2906 1 11 . 1 1 93 93 ALA CA C 93 54.290 54.290 55.275 -0.985 18793 2907 1 11 . 1 1 93 93 ALA CB C 93 18.071 18.071 18.451 -0.380 18793 2908 1 11 . 1 1 93 93 ALA H H 93 8.795 8.795 7.984 0.811 18793 2909 1 11 . 1 1 94 94 GLY N N 94 107.341 107.341 104.562 2.779 18793 2910 1 11 . 1 1 94 94 GLY C C 94 175.673 175.673 174.760 0.913 18793 2911 1 11 . 1 1 94 94 GLY CA C 94 46.333 46.333 46.078 0.255 18793 2912 1 11 . 1 1 94 94 GLY H H 94 8.949 8.949 7.813 1.136 18793 2913 1 11 . 1 1 95 95 ASP N N 95 122.494 122.494 119.356 3.138 18793 2914 1 11 . 1 1 95 95 ASP C C 95 175.822 175.822 177.001 -1.179 18793 2915 1 11 . 1 1 95 95 ASP CA C 95 62.448 62.448 54.917 7.531 18793 2916 1 11 . 1 1 95 95 ASP CB C 95 38.604 38.604 41.076 -2.472 18793 2917 1 11 . 1 1 95 95 ASP H H 95 8.129 8.129 7.666 0.463 18793 2918 1 11 . 1 1 96 96 GLU N N 96 123.198 123.198 119.335 3.863 18793 2919 1 11 . 1 1 96 96 GLU C C 96 177.367 177.367 177.785 -0.418 18793 2920 1 11 . 1 1 96 96 GLU CA C 96 57.391 57.391 58.044 -0.653 18793 2921 1 11 . 1 1 96 96 GLU CB C 96 27.929 27.929 30.072 -2.143 18793 2922 1 11 . 1 1 96 96 GLU H H 96 8.691 8.691 7.593 1.098 18793 2923 1 11 . 1 1 97 97 PHE N N 97 113.232 113.232 116.662 -3.430 18793 2924 1 11 . 1 1 97 97 PHE C C 97 175.163 175.163 176.319 -1.156 18793 2925 1 11 . 1 1 97 97 PHE CA C 97 61.888 61.888 58.246 3.642 18793 2926 1 11 . 1 1 97 97 PHE H H 97 7.939 7.939 7.814 0.125 18793 2927 1 12 . 1 1 1 1 MET N N 1 120.233 120.233 117.242 2.991 18793 2928 1 12 . 1 1 1 1 MET C C 1 176.466 176.466 175.607 0.859 18793 2929 1 12 . 1 1 1 1 MET CA C 1 54.999 54.999 57.610 -2.611 18793 2930 1 12 . 1 1 1 1 MET CB C 1 31.334 31.334 31.891 -0.557 18793 2931 1 12 . 1 1 1 1 MET H H 1 8.288 8.288 8.188 0.100 18793 2932 1 12 . 1 1 2 2 SER N N 2 117.150 117.150 111.972 5.178 18793 2933 1 12 . 1 1 2 2 SER C C 2 175.585 175.585 174.965 0.620 18793 2934 1 12 . 1 1 2 2 SER CA C 2 58.221 58.221 59.460 -1.239 18793 2935 1 12 . 1 1 2 2 SER CB C 2 62.221 62.221 62.264 -0.043 18793 2936 1 12 . 1 1 2 2 SER H H 2 8.191 8.191 8.453 -0.262 18793 2937 1 12 . 1 1 3 3 GLN N N 3 122.952 122.952 118.125 4.827 18793 2938 1 12 . 1 1 3 3 GLN C C 3 176.703 176.703 177.708 -1.005 18793 2939 1 12 . 1 1 3 3 GLN CA C 3 55.888 55.888 58.249 -2.361 18793 2940 1 12 . 1 1 3 3 GLN CB C 3 27.445 27.445 28.848 -1.403 18793 2941 1 12 . 1 1 3 3 GLN H H 3 8.334 8.334 8.365 -0.031 18793 2942 1 12 . 1 1 4 4 SER N N 4 117.024 117.024 115.322 1.702 18793 2943 1 12 . 1 1 4 4 SER C C 4 176.059 176.059 175.711 0.348 18793 2944 1 12 . 1 1 4 4 SER CA C 4 59.443 59.443 59.941 -0.498 18793 2945 1 12 . 1 1 4 4 SER CB C 4 61.888 61.888 62.719 -0.831 18793 2946 1 12 . 1 1 4 4 SER H H 4 8.300 8.300 8.565 -0.265 18793 2947 1 12 . 1 1 5 5 ASN N N 5 122.025 122.025 121.801 0.224 18793 2948 1 12 . 1 1 5 5 ASN C C 5 177.049 177.049 177.341 -0.292 18793 2949 1 12 . 1 1 5 5 ASN CA C 5 55.110 55.110 56.309 -1.199 18793 2950 1 12 . 1 1 5 5 ASN CB C 5 37.454 37.454 38.235 -0.781 18793 2951 1 12 . 1 1 5 5 ASN H H 5 8.517 8.517 8.458 0.059 18793 2952 1 12 . 1 1 6 6 ARG N N 6 119.117 119.117 119.717 -0.600 18793 2953 1 12 . 1 1 6 6 ARG C C 6 177.144 177.144 178.520 -1.376 18793 2954 1 12 . 1 1 6 6 ARG CA C 6 57.366 57.366 60.069 -2.703 18793 2955 1 12 . 1 1 6 6 ARG CB C 6 28.348 28.348 30.448 -2.100 18793 2956 1 12 . 1 1 6 6 ARG H H 6 8.194 8.194 7.681 0.513 18793 2957 1 12 . 1 1 7 7 GLU N N 7 117.987 117.987 119.983 -1.996 18793 2958 1 12 . 1 1 7 7 GLU C C 7 179.178 179.178 179.163 0.015 18793 2959 1 12 . 1 1 7 7 GLU CA C 7 58.332 58.332 59.160 -0.828 18793 2960 1 12 . 1 1 7 7 GLU CB C 7 28.112 28.112 29.495 -1.383 18793 2961 1 12 . 1 1 7 7 GLU H H 7 7.902 7.902 7.659 0.243 18793 2962 1 12 . 1 1 8 8 LEU N N 8 120.359 120.359 121.765 -1.406 18793 2963 1 12 . 1 1 8 8 LEU C C 8 178.161 178.161 178.744 -0.583 18793 2964 1 12 . 1 1 8 8 LEU CA C 8 56.999 56.999 58.463 -1.464 18793 2965 1 12 . 1 1 8 8 LEU CB C 8 40.222 40.222 42.603 -2.381 18793 2966 1 12 . 1 1 8 8 LEU H H 8 7.690 7.690 8.632 -0.942 18793 2967 1 12 . 1 1 9 9 VAL N N 9 117.926 117.926 117.542 0.384 18793 2968 1 12 . 1 1 9 9 VAL C C 9 176.839 176.839 178.116 -1.277 18793 2969 1 12 . 1 1 9 9 VAL CA C 9 66.554 66.554 65.706 0.848 18793 2970 1 12 . 1 1 9 9 VAL CB C 9 31.001 31.001 30.625 0.376 18793 2971 1 12 . 1 1 9 9 VAL H H 9 7.512 7.512 8.156 -0.644 18793 2972 1 12 . 1 1 10 10 VAL N N 10 117.730 117.730 122.026 -4.296 18793 2973 1 12 . 1 1 10 10 VAL C C 10 178.364 178.364 177.693 0.671 18793 2974 1 12 . 1 1 10 10 VAL CA C 10 65.999 65.999 67.808 -1.809 18793 2975 1 12 . 1 1 10 10 VAL CB C 10 30.112 30.112 31.461 -1.349 18793 2976 1 12 . 1 1 10 10 VAL H H 10 8.254 8.254 8.157 0.097 18793 2977 1 12 . 1 1 11 11 ASP N N 11 121.346 121.346 121.427 -0.081 18793 2978 1 12 . 1 1 11 11 ASP C C 11 177.212 177.212 178.813 -1.601 18793 2979 1 12 . 1 1 11 11 ASP CA C 11 57.999 57.999 57.408 0.591 18793 2980 1 12 . 1 1 11 11 ASP CB C 11 42.111 42.111 40.889 1.222 18793 2981 1 12 . 1 1 11 11 ASP H H 11 8.029 8.029 8.736 -0.707 18793 2982 1 12 . 1 1 12 12 PHE N N 12 120.632 120.632 119.513 1.119 18793 2983 1 12 . 1 1 12 12 PHE C C 12 177.890 177.890 177.587 0.303 18793 2984 1 12 . 1 1 12 12 PHE CA C 12 62.110 62.110 62.198 -0.088 18793 2985 1 12 . 1 1 12 12 PHE CB C 12 38.778 38.778 39.330 -0.552 18793 2986 1 12 . 1 1 12 12 PHE H H 12 8.120 8.120 7.989 0.131 18793 2987 1 12 . 1 1 13 13 LEU N N 13 117.068 117.068 121.277 -4.209 18793 2988 1 12 . 1 1 13 13 LEU C C 13 179.280 179.280 178.338 0.942 18793 2989 1 12 . 1 1 13 13 LEU CA C 13 57.555 57.555 57.745 -0.190 18793 2990 1 12 . 1 1 13 13 LEU CB C 13 40.222 40.222 41.142 -0.920 18793 2991 1 12 . 1 1 13 13 LEU H H 13 8.770 8.770 8.378 0.392 18793 2992 1 12 . 1 1 14 14 SER N N 14 114.398 114.398 115.744 -1.346 18793 2993 1 12 . 1 1 14 14 SER C C 14 176.941 176.941 177.125 -0.184 18793 2994 1 12 . 1 1 14 14 SER CA C 14 61.777 61.777 61.492 0.285 18793 2995 1 12 . 1 1 14 14 SER CB C 14 60.824 60.824 62.234 -1.411 18793 2996 1 12 . 1 1 14 14 SER H H 14 8.407 8.407 8.560 -0.153 18793 2997 1 12 . 1 1 15 15 TYR N N 15 125.435 125.435 124.556 0.879 18793 2998 1 12 . 1 1 15 15 TYR C C 15 177.991 177.991 177.225 0.766 18793 2999 1 12 . 1 1 15 15 TYR CA C 15 59.274 59.274 61.648 -2.374 18793 3000 1 12 . 1 1 15 15 TYR CB C 15 36.457 36.457 38.411 -1.954 18793 3001 1 12 . 1 1 15 15 TYR H H 15 8.129 8.129 7.613 0.516 18793 3002 1 12 . 1 1 16 16 LYS N N 16 120.549 120.549 118.579 1.970 18793 3003 1 12 . 1 1 16 16 LYS C C 16 180.127 180.127 179.479 0.648 18793 3004 1 12 . 1 1 16 16 LYS CA C 16 56.221 56.221 58.372 -2.151 18793 3005 1 12 . 1 1 16 16 LYS CB C 16 28.223 28.223 32.420 -4.197 18793 3006 1 12 . 1 1 16 16 LYS H H 16 8.150 8.150 7.650 0.500 18793 3007 1 12 . 1 1 17 17 LEU N N 17 118.843 118.843 121.346 -2.503 18793 3008 1 12 . 1 1 17 17 LEU C C 17 179.653 179.653 178.176 1.477 18793 3009 1 12 . 1 1 17 17 LEU CA C 17 57.777 57.777 57.575 0.202 18793 3010 1 12 . 1 1 17 17 LEU CB C 17 39.667 39.667 40.938 -1.272 18793 3011 1 12 . 1 1 17 17 LEU H H 17 8.581 8.581 8.730 -0.149 18793 3012 1 12 . 1 1 18 18 SER N N 18 117.814 117.814 114.706 3.108 18793 3013 1 12 . 1 1 18 18 SER C C 18 178.297 178.297 176.921 1.376 18793 3014 1 12 . 1 1 18 18 SER CA C 18 60.492 60.492 61.153 -0.661 18793 3015 1 12 . 1 1 18 18 SER CB C 18 61.600 61.600 62.678 -1.078 18793 3016 1 12 . 1 1 18 18 SER H H 18 8.272 8.272 8.127 0.145 18793 3017 1 12 . 1 1 19 19 GLN N N 19 123.182 123.182 120.013 3.169 18793 3018 1 12 . 1 1 19 19 GLN C C 19 176.941 176.941 176.952 -0.011 18793 3019 1 12 . 1 1 19 19 GLN CA C 19 57.666 57.666 57.758 -0.092 18793 3020 1 12 . 1 1 19 19 GLN CB C 19 27.334 27.334 28.974 -1.640 18793 3021 1 12 . 1 1 19 19 GLN H H 19 7.562 7.562 7.685 -0.123 18793 3022 1 12 . 1 1 20 20 LYS N N 20 116.732 116.732 115.702 1.030 18793 3023 1 12 . 1 1 20 20 LYS C C 20 175.178 175.178 175.750 -0.572 18793 3024 1 12 . 1 1 20 20 LYS CA C 20 52.999 52.999 55.452 -2.453 18793 3025 1 12 . 1 1 20 20 LYS CB C 20 31.445 31.445 34.207 -2.762 18793 3026 1 12 . 1 1 20 20 LYS H H 20 7.114 7.114 8.049 -0.935 18793 3027 1 12 . 1 1 21 21 GLY N N 21 105.804 105.804 107.178 -1.374 18793 3028 1 12 . 1 1 21 21 GLY C C 21 173.652 173.652 172.877 0.775 18793 3029 1 12 . 1 1 21 21 GLY CA C 21 44.210 44.210 46.182 -1.972 18793 3030 1 12 . 1 1 21 21 GLY H H 21 7.451 7.451 7.585 -0.134 18793 3031 1 12 . 1 1 22 22 TYR N N 22 120.097 120.097 118.262 1.835 18793 3032 1 12 . 1 1 22 22 TYR C C 22 174.737 174.737 173.376 1.361 18793 3033 1 12 . 1 1 22 22 TYR CA C 22 54.666 54.666 57.485 -2.819 18793 3034 1 12 . 1 1 22 22 TYR CB C 22 39.667 39.667 42.138 -2.471 18793 3035 1 12 . 1 1 22 22 TYR H H 22 7.769 7.769 7.928 -0.159 18793 3036 1 12 . 1 1 23 23 SER N N 23 115.275 115.275 116.245 -0.970 18793 3037 1 12 . 1 1 23 23 SER C C 23 174.262 174.262 173.380 0.882 18793 3038 1 12 . 1 1 23 23 SER CA C 23 55.888 55.888 56.960 -1.072 18793 3039 1 12 . 1 1 23 23 SER CB C 23 63.888 63.888 63.766 0.122 18793 3040 1 12 . 1 1 23 23 SER H H 23 8.483 8.483 8.659 -0.176 18793 3041 1 12 . 1 1 24 24 TRP N N 24 127.826 127.826 123.003 4.823 18793 3042 1 12 . 1 1 24 24 TRP C C 24 176.669 176.669 176.236 0.433 18793 3043 1 12 . 1 1 24 24 TRP CA C 24 59.385 59.385 58.048 1.337 18793 3044 1 12 . 1 1 24 24 TRP CB C 24 29.479 29.479 26.999 2.480 18793 3045 1 12 . 1 1 24 24 TRP H H 24 8.928 8.928 8.966 -0.038 18793 3046 1 12 . 1 1 25 25 SER N N 25 111.710 111.710 113.716 -2.006 18793 3047 1 12 . 1 1 25 25 SER C C 25 174.974 174.974 175.221 -0.247 18793 3048 1 12 . 1 1 25 25 SER CA C 25 59.332 59.332 59.357 -0.025 18793 3049 1 12 . 1 1 25 25 SER CB C 25 61.888 61.888 62.944 -1.056 18793 3050 1 12 . 1 1 25 25 SER H H 25 8.146 8.146 8.267 -0.121 18793 3051 1 12 . 1 1 26 26 GLN N N 26 119.553 119.553 117.367 2.186 18793 3052 1 12 . 1 1 26 26 GLN C C 26 175.991 175.991 176.740 -0.749 18793 3053 1 12 . 1 1 26 26 GLN CA C 26 56.332 56.332 56.359 -0.027 18793 3054 1 12 . 1 1 26 26 GLN CB C 26 27.112 27.112 29.241 -2.129 18793 3055 1 12 . 1 1 26 26 GLN H H 26 7.319 7.319 7.988 -0.669 18793 3056 1 12 . 1 1 27 27 PHE N N 27 116.264 116.264 118.952 -2.688 18793 3057 1 12 . 1 1 27 27 PHE C C 27 174.635 174.635 177.547 -2.912 18793 3058 1 12 . 1 1 27 27 PHE CA C 27 55.555 55.555 61.780 -6.225 18793 3059 1 12 . 1 1 27 27 PHE CB C 27 38.556 38.556 39.376 -0.820 18793 3060 1 12 . 1 1 27 27 PHE H H 27 7.109 7.109 7.962 -0.853 18793 3061 1 12 . 1 1 28 28 SER N N 28 114.011 114.011 110.609 3.402 18793 3062 1 12 . 1 1 28 28 SER C C 28 173.313 173.313 172.598 0.715 18793 3063 1 12 . 1 1 28 28 SER CA C 28 56.555 56.555 59.854 -3.299 18793 3064 1 12 . 1 1 28 28 SER CB C 28 62.665 62.665 63.706 -1.041 18793 3065 1 12 . 1 1 28 28 SER H H 28 7.058 7.058 8.299 -1.241 18793 3066 1 12 . 1 1 29 29 ASP N N 29 123.008 123.008 120.339 2.669 18793 3067 1 12 . 1 1 29 29 ASP C C 29 175.991 175.991 176.121 -0.130 18793 3068 1 12 . 1 1 29 29 ASP CA C 29 53.333 53.333 54.144 -0.811 18793 3069 1 12 . 1 1 29 29 ASP CB C 29 39.889 39.889 40.699 -0.810 18793 3070 1 12 . 1 1 29 29 ASP H H 29 8.220 8.220 8.182 0.038 18793 3071 1 12 . 1 1 30 30 VAL N N 30 119.570 119.570 118.407 1.163 18793 3072 1 12 . 1 1 30 30 VAL C C 30 175.788 175.788 175.595 0.193 18793 3073 1 12 . 1 1 30 30 VAL CA C 30 61.332 61.332 63.566 -2.234 18793 3074 1 12 . 1 1 30 30 VAL CB C 30 31.889 31.889 31.789 0.100 18793 3075 1 12 . 1 1 30 30 VAL H H 30 7.823 7.823 7.969 -0.146 18793 3076 1 12 . 1 1 31 31 GLU N N 31 124.976 124.976 116.888 8.088 18793 3077 1 12 . 1 1 31 31 GLU C C 31 176.229 176.229 174.309 1.920 18793 3078 1 12 . 1 1 31 31 GLU CA C 31 55.397 55.397 56.143 -0.746 18793 3079 1 12 . 1 1 31 31 GLU CB C 31 28.704 28.704 28.820 -0.116 18793 3080 1 12 . 1 1 31 31 GLU H H 31 8.390 8.390 7.605 0.785 18793 3081 1 12 . 1 1 32 32 GLU N N 32 122.629 122.629 118.840 3.789 18793 3082 1 12 . 1 1 32 32 GLU C C 32 175.788 175.788 176.070 -0.282 18793 3083 1 12 . 1 1 32 32 GLU CA C 32 55.444 55.444 56.639 -1.195 18793 3084 1 12 . 1 1 32 32 GLU CB C 32 29.001 29.001 28.956 0.045 18793 3085 1 12 . 1 1 32 32 GLU H H 32 8.307 8.307 8.146 0.161 18793 3086 1 12 . 1 1 33 33 ASN N N 33 119.996 119.996 117.590 2.406 18793 3087 1 12 . 1 1 33 33 ASN C C 33 174.601 174.601 175.131 -0.530 18793 3088 1 12 . 1 1 33 33 ASN CA C 33 52.555 52.555 53.725 -1.170 18793 3089 1 12 . 1 1 33 33 ASN CB C 33 37.778 37.778 38.867 -1.089 18793 3090 1 12 . 1 1 33 33 ASN H H 33 8.386 8.386 7.840 0.546 18793 3091 1 12 . 1 1 34 34 ARG N N 34 122.424 122.424 120.485 1.939 18793 3092 1 12 . 1 1 34 34 ARG C C 34 176.195 176.195 176.712 -0.517 18793 3093 1 12 . 1 1 34 34 ARG CA C 34 55.332 55.332 56.069 -0.737 18793 3094 1 12 . 1 1 34 34 ARG CB C 34 29.334 29.334 29.398 -0.064 18793 3095 1 12 . 1 1 34 34 ARG H H 34 8.211 8.211 8.490 -0.279 18793 3096 1 12 . 1 1 35 35 THR N N 35 116.319 116.319 113.204 3.115 18793 3097 1 12 . 1 1 35 35 THR C C 35 174.093 174.093 175.191 -1.098 18793 3098 1 12 . 1 1 35 35 THR CA C 35 60.999 60.999 64.612 -3.613 18793 3099 1 12 . 1 1 35 35 THR CB C 35 68.887 68.887 69.251 -0.364 18793 3100 1 12 . 1 1 35 35 THR H H 35 8.143 8.143 8.331 -0.188 18793 3101 1 12 . 1 1 36 36 GLU N N 36 123.405 123.405 116.723 6.682 18793 3102 1 12 . 1 1 36 36 GLU C C 36 175.279 175.279 174.609 0.670 18793 3103 1 12 . 1 1 36 36 GLU CA C 36 55.397 55.397 56.567 -1.170 18793 3104 1 12 . 1 1 36 36 GLU CB C 36 28.815 28.815 30.258 -1.443 18793 3105 1 12 . 1 1 36 36 GLU H H 36 8.270 8.270 7.886 0.384 18793 3106 1 12 . 1 1 37 37 ALA N N 37 126.500 126.500 123.051 3.449 18793 3107 1 12 . 1 1 37 37 ALA C C 37 175.279 175.279 176.195 -0.916 18793 3108 1 12 . 1 1 37 37 ALA CA C 37 49.638 49.638 50.290 -0.652 18793 3109 1 12 . 1 1 37 37 ALA CB C 37 17.074 17.074 19.278 -2.204 18793 3110 1 12 . 1 1 37 37 ALA H H 37 8.170 8.170 7.889 0.281 18793 3111 1 12 . 1 1 39 39 GLU N N 39 121.397 121.397 116.367 5.030 18793 3112 1 12 . 1 1 39 39 GLU C C 39 176.771 176.771 175.150 1.621 18793 3113 1 12 . 1 1 39 39 GLU CA C 39 55.999 55.999 56.924 -0.925 18793 3114 1 12 . 1 1 39 39 GLU CB C 39 29.001 29.001 30.823 -1.822 18793 3115 1 12 . 1 1 39 39 GLU H H 39 8.480 8.480 8.096 0.384 18793 3116 1 12 . 1 1 40 40 GLY N N 40 110.587 110.587 109.026 1.561 18793 3117 1 12 . 1 1 40 40 GLY C C 40 174.330 174.330 173.575 0.755 18793 3118 1 12 . 1 1 40 40 GLY CA C 40 44.555 44.555 45.859 -1.304 18793 3119 1 12 . 1 1 40 40 GLY H H 40 8.388 8.388 7.985 0.403 18793 3120 1 12 . 1 1 41 41 THR N N 41 113.357 113.357 113.139 0.218 18793 3121 1 12 . 1 1 41 41 THR C C 41 175.279 175.279 173.932 1.347 18793 3122 1 12 . 1 1 41 41 THR CA C 41 61.332 61.332 61.696 -0.364 18793 3123 1 12 . 1 1 41 41 THR CB C 41 68.887 68.887 67.800 1.087 18793 3124 1 12 . 1 1 41 41 THR H H 41 8.072 8.072 8.271 -0.199 18793 3125 1 12 . 1 1 42 42 GLU N N 42 123.483 123.483 120.736 2.747 18793 3126 1 12 . 1 1 42 42 GLU C C 42 177.076 177.076 177.024 0.052 18793 3127 1 12 . 1 1 42 42 GLU CA C 42 56.505 56.505 57.696 -1.190 18793 3128 1 12 . 1 1 42 42 GLU CB C 42 28.040 28.040 30.309 -2.269 18793 3129 1 12 . 1 1 42 42 GLU H H 42 8.741 8.741 8.247 0.494 18793 3130 1 12 . 1 1 43 43 SER N N 43 115.380 115.380 115.897 -0.517 18793 3131 1 12 . 1 1 43 43 SER C C 43 175.483 175.483 174.795 0.688 18793 3132 1 12 . 1 1 43 43 SER CA C 43 57.999 57.999 60.312 -2.313 18793 3133 1 12 . 1 1 43 43 SER CB C 43 62.221 62.221 63.578 -1.357 18793 3134 1 12 . 1 1 43 43 SER H H 43 8.297 8.297 8.339 -0.042 18793 3135 1 12 . 1 1 86 86 VAL N N 86 118.964 118.964 121.530 -2.566 18793 3136 1 12 . 1 1 86 86 VAL C C 86 176.466 176.466 176.326 0.140 18793 3137 1 12 . 1 1 86 86 VAL CA C 86 64.999 64.999 65.807 -0.808 18793 3138 1 12 . 1 1 86 86 VAL CB C 86 30.112 30.112 32.014 -1.902 18793 3139 1 12 . 1 1 86 86 VAL H H 86 7.342 7.342 8.198 -0.856 18793 3140 1 12 . 1 1 87 87 LYS N N 87 118.061 118.061 118.924 -0.863 18793 3141 1 12 . 1 1 87 87 LYS C C 87 178.669 178.669 178.597 0.072 18793 3142 1 12 . 1 1 87 87 LYS CA C 87 58.443 58.443 59.632 -1.189 18793 3143 1 12 . 1 1 87 87 LYS CB C 87 30.778 30.778 32.200 -1.422 18793 3144 1 12 . 1 1 87 87 LYS H H 87 7.312 7.312 7.530 -0.218 18793 3145 1 12 . 1 1 88 88 GLN N N 88 116.417 116.417 118.635 -2.218 18793 3146 1 12 . 1 1 88 88 GLN C C 88 177.212 177.212 178.087 -0.875 18793 3147 1 12 . 1 1 88 88 GLN CA C 88 57.888 57.888 58.374 -0.486 18793 3148 1 12 . 1 1 88 88 GLN CB C 88 26.890 26.890 28.266 -1.376 18793 3149 1 12 . 1 1 88 88 GLN H H 88 7.924 7.924 7.712 0.212 18793 3150 1 12 . 1 1 89 89 ALA N N 89 120.666 120.666 122.741 -2.075 18793 3151 1 12 . 1 1 89 89 ALA C C 89 179.076 179.076 178.887 0.189 18793 3152 1 12 . 1 1 89 89 ALA CA C 89 53.999 53.999 54.855 -0.856 18793 3153 1 12 . 1 1 89 89 ALA CB C 89 17.113 17.113 18.323 -1.210 18793 3154 1 12 . 1 1 89 89 ALA H H 89 7.605 7.605 8.255 -0.650 18793 3155 1 12 . 1 1 90 90 LEU N N 90 119.883 119.883 119.027 0.856 18793 3156 1 12 . 1 1 90 90 LEU C C 90 179.178 179.178 178.601 0.577 18793 3157 1 12 . 1 1 90 90 LEU CA C 90 57.332 57.332 58.020 -0.688 18793 3158 1 12 . 1 1 90 90 LEU CB C 90 40.889 40.889 41.272 -0.383 18793 3159 1 12 . 1 1 90 90 LEU H H 90 8.283 8.283 7.436 0.847 18793 3160 1 12 . 1 1 91 91 ARG N N 91 118.692 118.692 117.376 1.316 18793 3161 1 12 . 1 1 91 91 ARG C C 91 178.432 178.432 178.508 -0.076 18793 3162 1 12 . 1 1 91 91 ARG CA C 91 59.666 59.666 58.076 1.590 18793 3163 1 12 . 1 1 91 91 ARG CB C 91 29.334 29.334 29.679 -0.345 18793 3164 1 12 . 1 1 91 91 ARG H H 91 8.011 8.011 7.472 0.539 18793 3165 1 12 . 1 1 92 92 GLU N N 92 116.799 116.799 119.871 -3.072 18793 3166 1 12 . 1 1 92 92 GLU C C 92 179.788 179.788 179.097 0.691 18793 3167 1 12 . 1 1 92 92 GLU CA C 92 58.110 58.110 59.390 -1.280 18793 3168 1 12 . 1 1 92 92 GLU CB C 92 27.890 27.890 29.413 -1.523 18793 3169 1 12 . 1 1 92 92 GLU H H 92 7.802 7.802 7.669 0.133 18793 3170 1 12 . 1 1 93 93 ALA N N 93 124.583 124.583 120.200 4.383 18793 3171 1 12 . 1 1 93 93 ALA C C 93 180.161 180.161 180.338 -0.177 18793 3172 1 12 . 1 1 93 93 ALA CA C 93 54.290 54.290 54.347 -0.057 18793 3173 1 12 . 1 1 93 93 ALA CB C 93 18.071 18.071 18.457 -0.386 18793 3174 1 12 . 1 1 93 93 ALA H H 93 8.795 8.795 8.059 0.736 18793 3175 1 12 . 1 1 94 94 GLY N N 94 107.341 107.341 106.902 0.439 18793 3176 1 12 . 1 1 94 94 GLY C C 94 175.673 175.673 175.076 0.597 18793 3177 1 12 . 1 1 94 94 GLY CA C 94 46.333 46.333 46.958 -0.625 18793 3178 1 12 . 1 1 94 94 GLY H H 94 8.949 8.949 7.947 1.002 18793 3179 1 12 . 1 1 95 95 ASP N N 95 122.494 122.494 117.045 5.449 18793 3180 1 12 . 1 1 95 95 ASP C C 95 175.822 175.822 176.212 -0.390 18793 3181 1 12 . 1 1 95 95 ASP CA C 95 62.448 62.448 53.271 9.177 18793 3182 1 12 . 1 1 95 95 ASP CB C 95 38.604 38.604 41.819 -3.215 18793 3183 1 12 . 1 1 95 95 ASP H H 95 8.129 8.129 7.641 0.488 18793 3184 1 12 . 1 1 96 96 GLU N N 96 123.198 123.198 119.257 3.941 18793 3185 1 12 . 1 1 96 96 GLU C C 96 177.367 177.367 176.941 0.426 18793 3186 1 12 . 1 1 96 96 GLU CA C 96 57.391 57.391 58.557 -1.166 18793 3187 1 12 . 1 1 96 96 GLU CB C 96 27.929 27.929 30.276 -2.347 18793 3188 1 12 . 1 1 96 96 GLU H H 96 8.691 8.691 7.990 0.701 18793 3189 1 12 . 1 1 97 97 PHE N N 97 113.232 113.232 119.282 -6.050 18793 3190 1 12 . 1 1 97 97 PHE C C 97 175.163 175.163 177.203 -2.040 18793 3191 1 12 . 1 1 97 97 PHE CA C 97 61.888 61.888 60.405 1.483 18793 3192 1 12 . 1 1 97 97 PHE H H 97 7.939 7.939 7.760 0.179 18793 3193 1 13 . 1 1 1 1 MET N N 1 120.233 120.233 120.964 -0.731 18793 3194 1 13 . 1 1 1 1 MET C C 1 176.466 176.466 175.926 0.540 18793 3195 1 13 . 1 1 1 1 MET CA C 1 54.999 54.999 55.821 -0.822 18793 3196 1 13 . 1 1 1 1 MET CB C 1 31.334 31.334 34.605 -3.271 18793 3197 1 13 . 1 1 1 1 MET H H 1 8.288 8.288 8.433 -0.145 18793 3198 1 13 . 1 1 2 2 SER N N 2 117.150 117.150 112.778 4.372 18793 3199 1 13 . 1 1 2 2 SER C C 2 175.585 175.585 175.592 -0.007 18793 3200 1 13 . 1 1 2 2 SER CA C 2 58.221 58.221 59.672 -1.451 18793 3201 1 13 . 1 1 2 2 SER CB C 2 62.221 62.221 63.316 -1.095 18793 3202 1 13 . 1 1 2 2 SER H H 2 8.191 8.191 8.050 0.141 18793 3203 1 13 . 1 1 3 3 GLN N N 3 122.952 122.952 121.783 1.169 18793 3204 1 13 . 1 1 3 3 GLN C C 3 176.703 176.703 177.742 -1.039 18793 3205 1 13 . 1 1 3 3 GLN CA C 3 55.888 55.888 58.725 -2.837 18793 3206 1 13 . 1 1 3 3 GLN CB C 3 27.445 27.445 28.657 -1.212 18793 3207 1 13 . 1 1 3 3 GLN H H 3 8.334 8.334 8.636 -0.302 18793 3208 1 13 . 1 1 4 4 SER N N 4 117.024 117.024 114.188 2.836 18793 3209 1 13 . 1 1 4 4 SER C C 4 176.059 176.059 176.305 -0.246 18793 3210 1 13 . 1 1 4 4 SER CA C 4 59.443 59.443 60.800 -1.357 18793 3211 1 13 . 1 1 4 4 SER CB C 4 61.888 61.888 62.801 -0.913 18793 3212 1 13 . 1 1 4 4 SER H H 4 8.300 8.300 8.545 -0.245 18793 3213 1 13 . 1 1 5 5 ASN N N 5 122.025 122.025 119.850 2.175 18793 3214 1 13 . 1 1 5 5 ASN C C 5 177.049 177.049 177.618 -0.569 18793 3215 1 13 . 1 1 5 5 ASN CA C 5 55.110 55.110 56.032 -0.922 18793 3216 1 13 . 1 1 5 5 ASN CB C 5 37.454 37.454 38.105 -0.652 18793 3217 1 13 . 1 1 5 5 ASN H H 5 8.517 8.517 8.422 0.095 18793 3218 1 13 . 1 1 6 6 ARG N N 6 119.117 119.117 120.489 -1.372 18793 3219 1 13 . 1 1 6 6 ARG C C 6 177.144 177.144 178.903 -1.759 18793 3220 1 13 . 1 1 6 6 ARG CA C 6 57.366 57.366 59.979 -2.613 18793 3221 1 13 . 1 1 6 6 ARG CB C 6 28.348 28.348 30.381 -2.033 18793 3222 1 13 . 1 1 6 6 ARG H H 6 8.194 8.194 7.690 0.504 18793 3223 1 13 . 1 1 7 7 GLU N N 7 117.987 117.987 119.453 -1.466 18793 3224 1 13 . 1 1 7 7 GLU C C 7 179.178 179.178 178.764 0.414 18793 3225 1 13 . 1 1 7 7 GLU CA C 7 58.332 58.332 59.233 -0.901 18793 3226 1 13 . 1 1 7 7 GLU CB C 7 28.112 28.112 29.597 -1.485 18793 3227 1 13 . 1 1 7 7 GLU H H 7 7.902 7.902 7.767 0.135 18793 3228 1 13 . 1 1 8 8 LEU N N 8 120.359 120.359 121.599 -1.240 18793 3229 1 13 . 1 1 8 8 LEU C C 8 178.161 178.161 178.248 -0.087 18793 3230 1 13 . 1 1 8 8 LEU CA C 8 56.999 56.999 58.814 -1.815 18793 3231 1 13 . 1 1 8 8 LEU CB C 8 40.222 40.222 42.184 -1.962 18793 3232 1 13 . 1 1 8 8 LEU H H 8 7.690 7.690 8.047 -0.357 18793 3233 1 13 . 1 1 9 9 VAL N N 9 117.926 117.926 116.624 1.302 18793 3234 1 13 . 1 1 9 9 VAL C C 9 176.839 176.839 177.786 -0.947 18793 3235 1 13 . 1 1 9 9 VAL CA C 9 66.554 66.554 66.206 0.348 18793 3236 1 13 . 1 1 9 9 VAL CB C 9 31.001 31.001 30.801 0.200 18793 3237 1 13 . 1 1 9 9 VAL H H 9 7.512 7.512 8.287 -0.775 18793 3238 1 13 . 1 1 10 10 VAL N N 10 117.730 117.730 120.987 -3.257 18793 3239 1 13 . 1 1 10 10 VAL C C 10 178.364 178.364 177.649 0.715 18793 3240 1 13 . 1 1 10 10 VAL CA C 10 65.999 65.999 67.026 -1.027 18793 3241 1 13 . 1 1 10 10 VAL CB C 10 30.112 30.112 30.902 -0.790 18793 3242 1 13 . 1 1 10 10 VAL H H 10 8.254 8.254 7.505 0.749 18793 3243 1 13 . 1 1 11 11 ASP N N 11 121.346 121.346 120.878 0.468 18793 3244 1 13 . 1 1 11 11 ASP C C 11 177.212 177.212 178.718 -1.506 18793 3245 1 13 . 1 1 11 11 ASP CA C 11 57.999 57.999 57.644 0.355 18793 3246 1 13 . 1 1 11 11 ASP CB C 11 42.111 42.111 40.714 1.397 18793 3247 1 13 . 1 1 11 11 ASP H H 11 8.029 8.029 8.424 -0.395 18793 3248 1 13 . 1 1 12 12 PHE N N 12 120.632 120.632 119.461 1.171 18793 3249 1 13 . 1 1 12 12 PHE C C 12 177.890 177.890 178.067 -0.177 18793 3250 1 13 . 1 1 12 12 PHE CA C 12 62.110 62.110 61.479 0.631 18793 3251 1 13 . 1 1 12 12 PHE CB C 12 38.778 38.778 38.823 -0.045 18793 3252 1 13 . 1 1 12 12 PHE H H 12 8.120 8.120 7.869 0.251 18793 3253 1 13 . 1 1 13 13 LEU N N 13 117.068 117.068 120.557 -3.489 18793 3254 1 13 . 1 1 13 13 LEU C C 13 179.280 179.280 178.925 0.355 18793 3255 1 13 . 1 1 13 13 LEU CA C 13 57.555 57.555 57.978 -0.423 18793 3256 1 13 . 1 1 13 13 LEU CB C 13 40.222 40.222 40.781 -0.559 18793 3257 1 13 . 1 1 13 13 LEU H H 13 8.770 8.770 8.326 0.444 18793 3258 1 13 . 1 1 14 14 SER N N 14 114.398 114.398 114.440 -0.042 18793 3259 1 13 . 1 1 14 14 SER C C 14 176.941 176.941 176.752 0.189 18793 3260 1 13 . 1 1 14 14 SER CA C 14 61.777 61.777 61.883 -0.106 18793 3261 1 13 . 1 1 14 14 SER CB C 14 60.824 60.824 62.862 -2.038 18793 3262 1 13 . 1 1 14 14 SER H H 14 8.407 8.407 8.668 -0.261 18793 3263 1 13 . 1 1 15 15 TYR N N 15 125.435 125.435 122.225 3.210 18793 3264 1 13 . 1 1 15 15 TYR C C 15 177.991 177.991 177.828 0.163 18793 3265 1 13 . 1 1 15 15 TYR CA C 15 59.274 59.274 62.091 -2.817 18793 3266 1 13 . 1 1 15 15 TYR CB C 15 36.457 36.457 38.562 -2.105 18793 3267 1 13 . 1 1 15 15 TYR H H 15 8.129 8.129 7.579 0.550 18793 3268 1 13 . 1 1 16 16 LYS N N 16 120.549 120.549 119.491 1.058 18793 3269 1 13 . 1 1 16 16 LYS C C 16 180.127 180.127 178.731 1.396 18793 3270 1 13 . 1 1 16 16 LYS CA C 16 56.221 56.221 59.812 -3.591 18793 3271 1 13 . 1 1 16 16 LYS CB C 16 28.223 28.223 32.294 -4.071 18793 3272 1 13 . 1 1 16 16 LYS H H 16 8.150 8.150 7.719 0.431 18793 3273 1 13 . 1 1 17 17 LEU N N 17 118.843 118.843 118.636 0.207 18793 3274 1 13 . 1 1 17 17 LEU C C 17 179.653 179.653 178.697 0.956 18793 3275 1 13 . 1 1 17 17 LEU CA C 17 57.777 57.777 57.535 0.242 18793 3276 1 13 . 1 1 17 17 LEU CB C 17 39.667 39.667 42.075 -2.408 18793 3277 1 13 . 1 1 17 17 LEU H H 17 8.581 8.581 7.981 0.600 18793 3278 1 13 . 1 1 18 18 SER N N 18 117.814 117.814 115.421 2.393 18793 3279 1 13 . 1 1 18 18 SER C C 18 178.297 178.297 176.833 1.464 18793 3280 1 13 . 1 1 18 18 SER CA C 18 60.492 60.492 61.074 -0.582 18793 3281 1 13 . 1 1 18 18 SER CB C 18 61.600 61.600 62.630 -1.030 18793 3282 1 13 . 1 1 18 18 SER H H 18 8.272 8.272 8.305 -0.033 18793 3283 1 13 . 1 1 19 19 GLN N N 19 123.182 123.182 119.925 3.257 18793 3284 1 13 . 1 1 19 19 GLN C C 19 176.941 176.941 177.538 -0.597 18793 3285 1 13 . 1 1 19 19 GLN CA C 19 57.666 57.666 58.252 -0.586 18793 3286 1 13 . 1 1 19 19 GLN CB C 19 27.334 27.334 28.891 -1.557 18793 3287 1 13 . 1 1 19 19 GLN H H 19 7.562 7.562 7.730 -0.168 18793 3288 1 13 . 1 1 20 20 LYS N N 20 116.732 116.732 117.020 -0.288 18793 3289 1 13 . 1 1 20 20 LYS C C 20 175.178 175.178 176.923 -1.745 18793 3290 1 13 . 1 1 20 20 LYS CA C 20 52.999 52.999 57.153 -4.154 18793 3291 1 13 . 1 1 20 20 LYS CB C 20 31.445 31.445 33.110 -1.665 18793 3292 1 13 . 1 1 20 20 LYS H H 20 7.114 7.114 7.859 -0.745 18793 3293 1 13 . 1 1 21 21 GLY N N 21 105.804 105.804 103.846 1.958 18793 3294 1 13 . 1 1 21 21 GLY C C 21 173.652 173.652 173.295 0.357 18793 3295 1 13 . 1 1 21 21 GLY CA C 21 44.210 44.210 45.513 -1.303 18793 3296 1 13 . 1 1 21 21 GLY H H 21 7.451 7.451 7.559 -0.108 18793 3297 1 13 . 1 1 22 22 TYR N N 22 120.097 120.097 116.652 3.445 18793 3298 1 13 . 1 1 22 22 TYR C C 22 174.737 174.737 172.705 2.032 18793 3299 1 13 . 1 1 22 22 TYR CA C 22 54.666 54.666 55.577 -0.911 18793 3300 1 13 . 1 1 22 22 TYR CB C 22 39.667 39.667 38.539 1.128 18793 3301 1 13 . 1 1 22 22 TYR H H 22 7.769 7.769 7.150 0.619 18793 3302 1 13 . 1 1 23 23 SER N N 23 115.275 115.275 115.328 -0.053 18793 3303 1 13 . 1 1 23 23 SER C C 23 174.262 174.262 175.586 -1.324 18793 3304 1 13 . 1 1 23 23 SER CA C 23 55.888 55.888 54.543 1.345 18793 3305 1 13 . 1 1 23 23 SER CB C 23 63.888 63.888 64.953 -1.065 18793 3306 1 13 . 1 1 23 23 SER H H 23 8.483 8.483 7.537 0.946 18793 3307 1 13 . 1 1 24 24 TRP N N 24 127.826 127.826 124.872 2.954 18793 3308 1 13 . 1 1 24 24 TRP C C 24 176.669 176.669 175.914 0.755 18793 3309 1 13 . 1 1 24 24 TRP CA C 24 59.385 59.385 59.023 0.362 18793 3310 1 13 . 1 1 24 24 TRP CB C 24 29.479 29.479 28.689 0.790 18793 3311 1 13 . 1 1 24 24 TRP H H 24 8.928 8.928 8.942 -0.014 18793 3312 1 13 . 1 1 25 25 SER N N 25 111.710 111.710 113.421 -1.711 18793 3313 1 13 . 1 1 25 25 SER C C 25 174.974 174.974 174.184 0.790 18793 3314 1 13 . 1 1 25 25 SER CA C 25 59.332 59.332 56.999 2.333 18793 3315 1 13 . 1 1 25 25 SER CB C 25 61.888 61.888 62.654 -0.766 18793 3316 1 13 . 1 1 25 25 SER H H 25 8.146 8.146 7.166 0.980 18793 3317 1 13 . 1 1 26 26 GLN N N 26 119.553 119.553 120.559 -1.006 18793 3318 1 13 . 1 1 26 26 GLN C C 26 175.991 175.991 174.448 1.543 18793 3319 1 13 . 1 1 26 26 GLN CA C 26 56.332 56.332 56.714 -0.382 18793 3320 1 13 . 1 1 26 26 GLN CB C 26 27.112 27.112 26.285 0.827 18793 3321 1 13 . 1 1 26 26 GLN H H 26 7.319 7.319 7.673 -0.354 18793 3322 1 13 . 1 1 27 27 PHE N N 27 116.264 116.264 113.444 2.820 18793 3323 1 13 . 1 1 27 27 PHE C C 27 174.635 174.635 176.269 -1.634 18793 3324 1 13 . 1 1 27 27 PHE CA C 27 55.555 55.555 58.771 -3.216 18793 3325 1 13 . 1 1 27 27 PHE CB C 27 38.556 38.556 37.101 1.455 18793 3326 1 13 . 1 1 27 27 PHE H H 27 7.109 7.109 7.643 -0.534 18793 3327 1 13 . 1 1 28 28 SER N N 28 114.011 114.011 113.282 0.729 18793 3328 1 13 . 1 1 28 28 SER C C 28 173.313 173.313 174.234 -0.921 18793 3329 1 13 . 1 1 28 28 SER CA C 28 56.555 56.555 58.368 -1.813 18793 3330 1 13 . 1 1 28 28 SER CB C 28 62.665 62.665 63.520 -0.855 18793 3331 1 13 . 1 1 28 28 SER H H 28 7.058 7.058 7.510 -0.452 18793 3332 1 13 . 1 1 29 29 ASP N N 29 123.008 123.008 121.492 1.516 18793 3333 1 13 . 1 1 29 29 ASP C C 29 175.991 175.991 177.126 -1.135 18793 3334 1 13 . 1 1 29 29 ASP CA C 29 53.333 53.333 56.314 -2.981 18793 3335 1 13 . 1 1 29 29 ASP CB C 29 39.889 39.889 41.135 -1.246 18793 3336 1 13 . 1 1 29 29 ASP H H 29 8.220 8.220 8.688 -0.468 18793 3337 1 13 . 1 1 30 30 VAL N N 30 119.570 119.570 120.350 -0.780 18793 3338 1 13 . 1 1 30 30 VAL C C 30 175.788 175.788 175.593 0.195 18793 3339 1 13 . 1 1 30 30 VAL CA C 30 61.332 61.332 61.274 0.058 18793 3340 1 13 . 1 1 30 30 VAL CB C 30 31.889 31.889 29.774 2.115 18793 3341 1 13 . 1 1 30 30 VAL H H 30 7.823 7.823 7.344 0.479 18793 3342 1 13 . 1 1 31 31 GLU N N 31 124.976 124.976 121.261 3.715 18793 3343 1 13 . 1 1 31 31 GLU C C 31 176.229 176.229 176.441 -0.212 18793 3344 1 13 . 1 1 31 31 GLU CA C 31 55.397 55.397 57.162 -1.765 18793 3345 1 13 . 1 1 31 31 GLU CB C 31 28.704 28.704 30.109 -1.405 18793 3346 1 13 . 1 1 31 31 GLU H H 31 8.390 8.390 7.636 0.754 18793 3347 1 13 . 1 1 32 32 GLU N N 32 122.629 122.629 118.149 4.480 18793 3348 1 13 . 1 1 32 32 GLU C C 32 175.788 175.788 176.518 -0.730 18793 3349 1 13 . 1 1 32 32 GLU CA C 32 55.444 55.444 56.055 -0.611 18793 3350 1 13 . 1 1 32 32 GLU CB C 32 29.001 29.001 28.877 0.124 18793 3351 1 13 . 1 1 32 32 GLU H H 32 8.307 8.307 8.302 0.005 18793 3352 1 13 . 1 1 33 33 ASN N N 33 119.996 119.996 119.860 0.136 18793 3353 1 13 . 1 1 33 33 ASN C C 33 174.601 174.601 175.043 -0.442 18793 3354 1 13 . 1 1 33 33 ASN CA C 33 52.555 52.555 53.816 -1.260 18793 3355 1 13 . 1 1 33 33 ASN CB C 33 37.778 37.778 38.056 -0.278 18793 3356 1 13 . 1 1 33 33 ASN H H 33 8.386 8.386 8.619 -0.233 18793 3357 1 13 . 1 1 34 34 ARG N N 34 122.424 122.424 118.632 3.792 18793 3358 1 13 . 1 1 34 34 ARG C C 34 176.195 176.195 176.851 -0.656 18793 3359 1 13 . 1 1 34 34 ARG CA C 34 55.332 55.332 57.343 -2.011 18793 3360 1 13 . 1 1 34 34 ARG CB C 34 29.334 29.334 32.547 -3.213 18793 3361 1 13 . 1 1 34 34 ARG H H 34 8.211 8.211 8.467 -0.256 18793 3362 1 13 . 1 1 35 35 THR N N 35 116.319 116.319 109.924 6.395 18793 3363 1 13 . 1 1 35 35 THR C C 35 174.093 174.093 174.975 -0.882 18793 3364 1 13 . 1 1 35 35 THR CA C 35 60.999 60.999 62.252 -1.252 18793 3365 1 13 . 1 1 35 35 THR CB C 35 68.887 68.887 69.995 -1.108 18793 3366 1 13 . 1 1 35 35 THR H H 35 8.143 8.143 7.938 0.205 18793 3367 1 13 . 1 1 36 36 GLU N N 36 123.405 123.405 120.837 2.568 18793 3368 1 13 . 1 1 36 36 GLU C C 36 175.279 175.279 175.148 0.131 18793 3369 1 13 . 1 1 36 36 GLU CA C 36 55.397 55.397 56.865 -1.468 18793 3370 1 13 . 1 1 36 36 GLU CB C 36 28.815 28.815 30.905 -2.090 18793 3371 1 13 . 1 1 36 36 GLU H H 36 8.270 8.270 7.921 0.349 18793 3372 1 13 . 1 1 37 37 ALA N N 37 126.500 126.500 123.896 2.604 18793 3373 1 13 . 1 1 37 37 ALA C C 37 175.279 175.279 176.167 -0.888 18793 3374 1 13 . 1 1 37 37 ALA CA C 37 49.638 49.638 51.719 -2.081 18793 3375 1 13 . 1 1 37 37 ALA CB C 37 17.074 17.074 18.528 -1.454 18793 3376 1 13 . 1 1 37 37 ALA H H 37 8.170 8.170 7.776 0.394 18793 3377 1 13 . 1 1 39 39 GLU N N 39 121.397 121.397 118.248 3.149 18793 3378 1 13 . 1 1 39 39 GLU C C 39 176.771 176.771 176.487 0.284 18793 3379 1 13 . 1 1 39 39 GLU CA C 39 55.999 55.999 56.320 -0.321 18793 3380 1 13 . 1 1 39 39 GLU CB C 39 29.001 29.001 30.558 -1.557 18793 3381 1 13 . 1 1 39 39 GLU H H 39 8.480 8.480 8.481 -0.001 18793 3382 1 13 . 1 1 40 40 GLY N N 40 110.587 110.587 108.494 2.093 18793 3383 1 13 . 1 1 40 40 GLY C C 40 174.330 174.330 174.623 -0.293 18793 3384 1 13 . 1 1 40 40 GLY CA C 40 44.555 44.555 44.941 -0.385 18793 3385 1 13 . 1 1 40 40 GLY H H 40 8.388 8.388 8.092 0.296 18793 3386 1 13 . 1 1 41 41 THR N N 41 113.357 113.357 111.235 2.122 18793 3387 1 13 . 1 1 41 41 THR C C 41 175.279 175.279 173.445 1.834 18793 3388 1 13 . 1 1 41 41 THR CA C 41 61.332 61.332 63.350 -2.018 18793 3389 1 13 . 1 1 41 41 THR CB C 41 68.887 68.887 68.738 0.149 18793 3390 1 13 . 1 1 41 41 THR H H 41 8.072 8.072 7.781 0.291 18793 3391 1 13 . 1 1 42 42 GLU N N 42 123.483 123.483 118.999 4.484 18793 3392 1 13 . 1 1 42 42 GLU C C 42 177.076 177.076 176.808 0.268 18793 3393 1 13 . 1 1 42 42 GLU CA C 42 56.505 56.505 56.947 -0.442 18793 3394 1 13 . 1 1 42 42 GLU CB C 42 28.040 28.040 29.956 -1.916 18793 3395 1 13 . 1 1 42 42 GLU H H 42 8.741 8.741 8.223 0.518 18793 3396 1 13 . 1 1 43 43 SER N N 43 115.380 115.380 115.282 0.098 18793 3397 1 13 . 1 1 43 43 SER C C 43 175.483 175.483 175.059 0.424 18793 3398 1 13 . 1 1 43 43 SER CA C 43 57.999 57.999 60.461 -2.462 18793 3399 1 13 . 1 1 43 43 SER CB C 43 62.221 62.221 63.273 -1.052 18793 3400 1 13 . 1 1 43 43 SER H H 43 8.297 8.297 8.374 -0.077 18793 3401 1 13 . 1 1 86 86 VAL N N 86 118.964 118.964 121.421 -2.457 18793 3402 1 13 . 1 1 86 86 VAL C C 86 176.466 176.466 176.840 -0.374 18793 3403 1 13 . 1 1 86 86 VAL CA C 86 64.999 64.999 65.916 -0.917 18793 3404 1 13 . 1 1 86 86 VAL CB C 86 30.112 30.112 32.311 -2.199 18793 3405 1 13 . 1 1 86 86 VAL H H 86 7.342 7.342 8.342 -1.000 18793 3406 1 13 . 1 1 87 87 LYS N N 87 118.061 118.061 119.774 -1.713 18793 3407 1 13 . 1 1 87 87 LYS C C 87 178.669 178.669 178.791 -0.122 18793 3408 1 13 . 1 1 87 87 LYS CA C 87 58.443 58.443 59.624 -1.181 18793 3409 1 13 . 1 1 87 87 LYS CB C 87 30.778 30.778 32.245 -1.468 18793 3410 1 13 . 1 1 87 87 LYS H H 87 7.312 7.312 7.959 -0.647 18793 3411 1 13 . 1 1 88 88 GLN N N 88 116.417 116.417 119.154 -2.737 18793 3412 1 13 . 1 1 88 88 GLN C C 88 177.212 177.212 178.155 -0.943 18793 3413 1 13 . 1 1 88 88 GLN CA C 88 57.888 57.888 58.929 -1.041 18793 3414 1 13 . 1 1 88 88 GLN CB C 88 26.890 26.890 28.969 -2.079 18793 3415 1 13 . 1 1 88 88 GLN H H 88 7.924 7.924 8.320 -0.396 18793 3416 1 13 . 1 1 89 89 ALA N N 89 120.666 120.666 122.322 -1.656 18793 3417 1 13 . 1 1 89 89 ALA C C 89 179.076 179.076 179.952 -0.876 18793 3418 1 13 . 1 1 89 89 ALA CA C 89 53.999 53.999 54.714 -0.715 18793 3419 1 13 . 1 1 89 89 ALA CB C 89 17.113 17.113 17.310 -0.197 18793 3420 1 13 . 1 1 89 89 ALA H H 89 7.605 7.605 8.281 -0.676 18793 3421 1 13 . 1 1 90 90 LEU N N 90 119.883 119.883 117.920 1.963 18793 3422 1 13 . 1 1 90 90 LEU C C 90 179.178 179.178 179.335 -0.157 18793 3423 1 13 . 1 1 90 90 LEU CA C 90 57.332 57.332 57.280 0.052 18793 3424 1 13 . 1 1 90 90 LEU CB C 90 40.889 40.889 41.715 -0.826 18793 3425 1 13 . 1 1 90 90 LEU H H 90 8.283 8.283 8.428 -0.145 18793 3426 1 13 . 1 1 91 91 ARG N N 91 118.692 118.692 119.988 -1.296 18793 3427 1 13 . 1 1 91 91 ARG C C 91 178.432 178.432 178.750 -0.318 18793 3428 1 13 . 1 1 91 91 ARG CA C 91 59.666 59.666 59.599 0.068 18793 3429 1 13 . 1 1 91 91 ARG CB C 91 29.334 29.334 30.312 -0.979 18793 3430 1 13 . 1 1 91 91 ARG H H 91 8.011 8.011 7.753 0.258 18793 3431 1 13 . 1 1 92 92 GLU N N 92 116.799 116.799 118.942 -2.143 18793 3432 1 13 . 1 1 92 92 GLU C C 92 179.788 179.788 179.019 0.769 18793 3433 1 13 . 1 1 92 92 GLU CA C 92 58.110 58.110 59.099 -0.989 18793 3434 1 13 . 1 1 92 92 GLU CB C 92 27.890 27.890 29.659 -1.769 18793 3435 1 13 . 1 1 92 92 GLU H H 92 7.802 7.802 7.950 -0.148 18793 3436 1 13 . 1 1 93 93 ALA N N 93 124.583 124.583 120.815 3.768 18793 3437 1 13 . 1 1 93 93 ALA C C 93 180.161 180.161 179.456 0.705 18793 3438 1 13 . 1 1 93 93 ALA CA C 93 54.290 54.290 54.599 -0.309 18793 3439 1 13 . 1 1 93 93 ALA CB C 93 18.071 18.071 18.962 -0.891 18793 3440 1 13 . 1 1 93 93 ALA H H 93 8.795 8.795 8.345 0.450 18793 3441 1 13 . 1 1 94 94 GLY N N 94 107.341 107.341 105.653 1.688 18793 3442 1 13 . 1 1 94 94 GLY C C 94 175.673 175.673 176.181 -0.508 18793 3443 1 13 . 1 1 94 94 GLY CA C 94 46.333 46.333 46.900 -0.567 18793 3444 1 13 . 1 1 94 94 GLY H H 94 8.949 8.949 7.858 1.091 18793 3445 1 13 . 1 1 95 95 ASP N N 95 122.494 122.494 120.532 1.962 18793 3446 1 13 . 1 1 95 95 ASP C C 95 175.822 175.822 177.589 -1.767 18793 3447 1 13 . 1 1 95 95 ASP CA C 95 62.448 62.448 55.148 7.300 18793 3448 1 13 . 1 1 95 95 ASP CB C 95 38.604 38.604 41.387 -2.783 18793 3449 1 13 . 1 1 95 95 ASP H H 95 8.129 8.129 7.965 0.164 18793 3450 1 13 . 1 1 96 96 GLU N N 96 123.198 123.198 119.593 3.605 18793 3451 1 13 . 1 1 96 96 GLU C C 96 177.367 177.367 177.743 -0.376 18793 3452 1 13 . 1 1 96 96 GLU CA C 96 57.391 57.391 57.863 -0.472 18793 3453 1 13 . 1 1 96 96 GLU CB C 96 27.929 27.929 29.362 -1.433 18793 3454 1 13 . 1 1 96 96 GLU H H 96 8.691 8.691 7.643 1.048 18793 3455 1 13 . 1 1 97 97 PHE N N 97 113.232 113.232 117.978 -4.746 18793 3456 1 13 . 1 1 97 97 PHE C C 97 175.163 175.163 176.502 -1.339 18793 3457 1 13 . 1 1 97 97 PHE CA C 97 61.888 61.888 60.142 1.746 18793 3458 1 13 . 1 1 97 97 PHE H H 97 7.939 7.939 7.999 -0.060 18793 3459 1 14 . 1 1 1 1 MET N N 1 120.233 120.233 115.118 5.115 18793 3460 1 14 . 1 1 1 1 MET C C 1 176.466 176.466 176.373 0.093 18793 3461 1 14 . 1 1 1 1 MET CA C 1 54.999 54.999 55.841 -0.842 18793 3462 1 14 . 1 1 1 1 MET CB C 1 31.334 31.334 32.114 -0.780 18793 3463 1 14 . 1 1 1 1 MET H H 1 8.288 8.288 8.462 -0.174 18793 3464 1 14 . 1 1 2 2 SER N N 2 117.150 117.150 113.946 3.204 18793 3465 1 14 . 1 1 2 2 SER C C 2 175.585 175.585 175.429 0.156 18793 3466 1 14 . 1 1 2 2 SER CA C 2 58.221 58.221 56.963 1.258 18793 3467 1 14 . 1 1 2 2 SER CB C 2 62.221 62.221 63.397 -1.176 18793 3468 1 14 . 1 1 2 2 SER H H 2 8.191 8.191 8.595 -0.404 18793 3469 1 14 . 1 1 3 3 GLN N N 3 122.952 122.952 123.091 -0.139 18793 3470 1 14 . 1 1 3 3 GLN C C 3 176.703 176.703 178.007 -1.304 18793 3471 1 14 . 1 1 3 3 GLN CA C 3 55.888 55.888 59.232 -3.344 18793 3472 1 14 . 1 1 3 3 GLN CB C 3 27.445 27.445 28.657 -1.212 18793 3473 1 14 . 1 1 3 3 GLN H H 3 8.334 8.334 8.397 -0.063 18793 3474 1 14 . 1 1 4 4 SER N N 4 117.024 117.024 115.326 1.698 18793 3475 1 14 . 1 1 4 4 SER C C 4 176.059 176.059 176.438 -0.379 18793 3476 1 14 . 1 1 4 4 SER CA C 4 59.443 59.443 60.817 -1.374 18793 3477 1 14 . 1 1 4 4 SER CB C 4 61.888 61.888 62.795 -0.907 18793 3478 1 14 . 1 1 4 4 SER H H 4 8.300 8.300 8.820 -0.520 18793 3479 1 14 . 1 1 5 5 ASN N N 5 122.025 122.025 119.376 2.649 18793 3480 1 14 . 1 1 5 5 ASN C C 5 177.049 177.049 177.009 0.040 18793 3481 1 14 . 1 1 5 5 ASN CA C 5 55.110 55.110 55.799 -0.689 18793 3482 1 14 . 1 1 5 5 ASN CB C 5 37.454 37.454 37.946 -0.492 18793 3483 1 14 . 1 1 5 5 ASN H H 5 8.517 8.517 8.694 -0.177 18793 3484 1 14 . 1 1 6 6 ARG N N 6 119.117 119.117 120.005 -0.888 18793 3485 1 14 . 1 1 6 6 ARG C C 6 177.144 177.144 178.293 -1.149 18793 3486 1 14 . 1 1 6 6 ARG CA C 6 57.366 57.366 59.071 -1.705 18793 3487 1 14 . 1 1 6 6 ARG CB C 6 28.348 28.348 30.346 -1.998 18793 3488 1 14 . 1 1 6 6 ARG H H 6 8.194 8.194 8.023 0.171 18793 3489 1 14 . 1 1 7 7 GLU N N 7 117.987 117.987 120.010 -2.023 18793 3490 1 14 . 1 1 7 7 GLU C C 7 179.178 179.178 178.531 0.647 18793 3491 1 14 . 1 1 7 7 GLU CA C 7 58.332 58.332 60.020 -1.688 18793 3492 1 14 . 1 1 7 7 GLU CB C 7 28.112 28.112 29.746 -1.634 18793 3493 1 14 . 1 1 7 7 GLU H H 7 7.902 7.902 8.009 -0.107 18793 3494 1 14 . 1 1 8 8 LEU N N 8 120.359 120.359 118.372 1.987 18793 3495 1 14 . 1 1 8 8 LEU C C 8 178.161 178.161 178.553 -0.392 18793 3496 1 14 . 1 1 8 8 LEU CA C 8 56.999 56.999 58.212 -1.213 18793 3497 1 14 . 1 1 8 8 LEU CB C 8 40.222 40.222 40.849 -0.626 18793 3498 1 14 . 1 1 8 8 LEU H H 8 7.690 7.690 7.549 0.141 18793 3499 1 14 . 1 1 9 9 VAL N N 9 117.926 117.926 115.835 2.091 18793 3500 1 14 . 1 1 9 9 VAL C C 9 176.839 176.839 177.726 -0.887 18793 3501 1 14 . 1 1 9 9 VAL CA C 9 66.554 66.554 66.344 0.210 18793 3502 1 14 . 1 1 9 9 VAL CB C 9 31.001 31.001 30.766 0.235 18793 3503 1 14 . 1 1 9 9 VAL H H 9 7.512 7.512 7.561 -0.049 18793 3504 1 14 . 1 1 10 10 VAL N N 10 117.730 117.730 121.276 -3.546 18793 3505 1 14 . 1 1 10 10 VAL C C 10 178.364 178.364 178.130 0.234 18793 3506 1 14 . 1 1 10 10 VAL CA C 10 65.999 65.999 66.147 -0.148 18793 3507 1 14 . 1 1 10 10 VAL CB C 10 30.112 30.112 30.722 -0.610 18793 3508 1 14 . 1 1 10 10 VAL H H 10 8.254 8.254 7.392 0.862 18793 3509 1 14 . 1 1 11 11 ASP N N 11 121.346 121.346 121.466 -0.120 18793 3510 1 14 . 1 1 11 11 ASP C C 11 177.212 177.212 178.220 -1.008 18793 3511 1 14 . 1 1 11 11 ASP CA C 11 57.999 57.999 57.425 0.575 18793 3512 1 14 . 1 1 11 11 ASP CB C 11 42.111 42.111 40.422 1.689 18793 3513 1 14 . 1 1 11 11 ASP H H 11 8.029 8.029 8.356 -0.327 18793 3514 1 14 . 1 1 12 12 PHE N N 12 120.632 120.632 118.236 2.396 18793 3515 1 14 . 1 1 12 12 PHE C C 12 177.890 177.890 178.235 -0.345 18793 3516 1 14 . 1 1 12 12 PHE CA C 12 62.110 62.110 60.862 1.248 18793 3517 1 14 . 1 1 12 12 PHE CB C 12 38.778 38.778 38.479 0.299 18793 3518 1 14 . 1 1 12 12 PHE H H 12 8.120 8.120 7.632 0.488 18793 3519 1 14 . 1 1 13 13 LEU N N 13 117.068 117.068 120.674 -3.606 18793 3520 1 14 . 1 1 13 13 LEU C C 13 179.280 179.280 179.085 0.195 18793 3521 1 14 . 1 1 13 13 LEU CA C 13 57.555 57.555 58.457 -0.902 18793 3522 1 14 . 1 1 13 13 LEU CB C 13 40.222 40.222 41.794 -1.572 18793 3523 1 14 . 1 1 13 13 LEU H H 13 8.770 8.770 8.036 0.734 18793 3524 1 14 . 1 1 14 14 SER N N 14 114.398 114.398 114.800 -0.402 18793 3525 1 14 . 1 1 14 14 SER C C 14 176.941 176.941 176.771 0.170 18793 3526 1 14 . 1 1 14 14 SER CA C 14 61.777 61.777 61.820 -0.043 18793 3527 1 14 . 1 1 14 14 SER CB C 14 60.824 60.824 63.212 -2.388 18793 3528 1 14 . 1 1 14 14 SER H H 14 8.407 8.407 8.632 -0.225 18793 3529 1 14 . 1 1 15 15 TYR N N 15 125.435 125.435 121.899 3.536 18793 3530 1 14 . 1 1 15 15 TYR C C 15 177.991 177.991 178.025 -0.034 18793 3531 1 14 . 1 1 15 15 TYR CA C 15 59.274 59.274 62.216 -2.942 18793 3532 1 14 . 1 1 15 15 TYR CB C 15 36.457 36.457 38.592 -2.135 18793 3533 1 14 . 1 1 15 15 TYR H H 15 8.129 8.129 8.117 0.012 18793 3534 1 14 . 1 1 16 16 LYS N N 16 120.549 120.549 119.443 1.106 18793 3535 1 14 . 1 1 16 16 LYS C C 16 180.127 180.127 179.538 0.589 18793 3536 1 14 . 1 1 16 16 LYS CA C 16 56.221 56.221 58.608 -2.387 18793 3537 1 14 . 1 1 16 16 LYS CB C 16 28.223 28.223 32.239 -4.016 18793 3538 1 14 . 1 1 16 16 LYS H H 16 8.150 8.150 7.693 0.457 18793 3539 1 14 . 1 1 17 17 LEU N N 17 118.843 118.843 118.717 0.126 18793 3540 1 14 . 1 1 17 17 LEU C C 17 179.653 179.653 179.054 0.599 18793 3541 1 14 . 1 1 17 17 LEU CA C 17 57.777 57.777 56.932 0.845 18793 3542 1 14 . 1 1 17 17 LEU CB C 17 39.667 39.667 41.628 -1.961 18793 3543 1 14 . 1 1 17 17 LEU H H 17 8.581 8.581 8.551 0.030 18793 3544 1 14 . 1 1 18 18 SER N N 18 117.814 117.814 114.778 3.036 18793 3545 1 14 . 1 1 18 18 SER C C 18 178.297 178.297 175.801 2.496 18793 3546 1 14 . 1 1 18 18 SER CA C 18 60.492 60.492 61.736 -1.244 18793 3547 1 14 . 1 1 18 18 SER CB C 18 61.600 61.600 63.027 -1.427 18793 3548 1 14 . 1 1 18 18 SER H H 18 8.272 8.272 8.651 -0.379 18793 3549 1 14 . 1 1 19 19 GLN N N 19 123.182 123.182 120.471 2.711 18793 3550 1 14 . 1 1 19 19 GLN C C 19 176.941 176.941 177.513 -0.572 18793 3551 1 14 . 1 1 19 19 GLN CA C 19 57.666 57.666 58.400 -0.734 18793 3552 1 14 . 1 1 19 19 GLN CB C 19 27.334 27.334 28.852 -1.518 18793 3553 1 14 . 1 1 19 19 GLN H H 19 7.562 7.562 7.716 -0.154 18793 3554 1 14 . 1 1 20 20 LYS N N 20 116.732 116.732 117.693 -0.961 18793 3555 1 14 . 1 1 20 20 LYS C C 20 175.178 175.178 176.494 -1.316 18793 3556 1 14 . 1 1 20 20 LYS CA C 20 52.999 52.999 56.039 -3.040 18793 3557 1 14 . 1 1 20 20 LYS CB C 20 31.445 31.445 33.788 -2.343 18793 3558 1 14 . 1 1 20 20 LYS H H 20 7.114 7.114 7.769 -0.655 18793 3559 1 14 . 1 1 21 21 GLY N N 21 105.804 105.804 107.041 -1.237 18793 3560 1 14 . 1 1 21 21 GLY C C 21 173.652 173.652 173.371 0.281 18793 3561 1 14 . 1 1 21 21 GLY CA C 21 44.210 44.210 44.807 -0.597 18793 3562 1 14 . 1 1 21 21 GLY H H 21 7.451 7.451 7.658 -0.207 18793 3563 1 14 . 1 1 22 22 TYR N N 22 120.097 120.097 119.853 0.244 18793 3564 1 14 . 1 1 22 22 TYR C C 22 174.737 174.737 173.795 0.942 18793 3565 1 14 . 1 1 22 22 TYR CA C 22 54.666 54.666 57.239 -2.572 18793 3566 1 14 . 1 1 22 22 TYR CB C 22 39.667 39.667 40.894 -1.227 18793 3567 1 14 . 1 1 22 22 TYR H H 22 7.769 7.769 7.682 0.087 18793 3568 1 14 . 1 1 23 23 SER N N 23 115.275 115.275 117.216 -1.941 18793 3569 1 14 . 1 1 23 23 SER C C 23 174.262 174.262 173.561 0.701 18793 3570 1 14 . 1 1 23 23 SER CA C 23 55.888 55.888 56.758 -0.869 18793 3571 1 14 . 1 1 23 23 SER CB C 23 63.888 63.888 65.514 -1.626 18793 3572 1 14 . 1 1 23 23 SER H H 23 8.483 8.483 8.242 0.241 18793 3573 1 14 . 1 1 24 24 TRP N N 24 127.826 127.826 126.090 1.736 18793 3574 1 14 . 1 1 24 24 TRP C C 24 176.669 176.669 176.114 0.555 18793 3575 1 14 . 1 1 24 24 TRP CA C 24 59.385 59.385 59.900 -0.515 18793 3576 1 14 . 1 1 24 24 TRP CB C 24 29.479 29.479 29.716 -0.237 18793 3577 1 14 . 1 1 24 24 TRP H H 24 8.928 8.928 8.868 0.060 18793 3578 1 14 . 1 1 25 25 SER N N 25 111.710 111.710 110.081 1.629 18793 3579 1 14 . 1 1 25 25 SER C C 25 174.974 174.974 174.164 0.810 18793 3580 1 14 . 1 1 25 25 SER CA C 25 59.332 59.332 58.684 0.647 18793 3581 1 14 . 1 1 25 25 SER CB C 25 61.888 61.888 64.334 -2.446 18793 3582 1 14 . 1 1 25 25 SER H H 25 8.146 8.146 7.953 0.193 18793 3583 1 14 . 1 1 26 26 GLN N N 26 119.553 119.553 118.840 0.713 18793 3584 1 14 . 1 1 26 26 GLN C C 26 175.991 175.991 175.490 0.501 18793 3585 1 14 . 1 1 26 26 GLN CA C 26 56.332 56.332 56.527 -0.195 18793 3586 1 14 . 1 1 26 26 GLN CB C 26 27.112 27.112 26.059 1.053 18793 3587 1 14 . 1 1 26 26 GLN H H 26 7.319 7.319 7.718 -0.399 18793 3588 1 14 . 1 1 27 27 PHE N N 27 116.264 116.264 114.646 1.618 18793 3589 1 14 . 1 1 27 27 PHE C C 27 174.635 174.635 174.308 0.327 18793 3590 1 14 . 1 1 27 27 PHE CA C 27 55.555 55.555 59.417 -3.862 18793 3591 1 14 . 1 1 27 27 PHE CB C 27 38.556 38.556 38.091 0.465 18793 3592 1 14 . 1 1 27 27 PHE H H 27 7.109 7.109 8.330 -1.221 18793 3593 1 14 . 1 1 28 28 SER N N 28 114.011 114.011 114.334 -0.323 18793 3594 1 14 . 1 1 28 28 SER C C 28 173.313 173.313 172.676 0.637 18793 3595 1 14 . 1 1 28 28 SER CA C 28 56.555 56.555 57.908 -1.353 18793 3596 1 14 . 1 1 28 28 SER CB C 28 62.665 62.665 63.744 -1.079 18793 3597 1 14 . 1 1 28 28 SER H H 28 7.058 7.058 7.630 -0.572 18793 3598 1 14 . 1 1 29 29 ASP N N 29 123.008 123.008 123.972 -0.964 18793 3599 1 14 . 1 1 29 29 ASP C C 29 175.991 175.991 175.226 0.765 18793 3600 1 14 . 1 1 29 29 ASP CA C 29 53.333 53.333 55.218 -1.885 18793 3601 1 14 . 1 1 29 29 ASP CB C 29 39.889 39.889 41.809 -1.920 18793 3602 1 14 . 1 1 29 29 ASP H H 29 8.220 8.220 8.425 -0.205 18793 3603 1 14 . 1 1 30 30 VAL N N 30 119.570 119.570 120.175 -0.605 18793 3604 1 14 . 1 1 30 30 VAL C C 30 175.788 175.788 176.378 -0.590 18793 3605 1 14 . 1 1 30 30 VAL CA C 30 61.332 61.332 64.352 -3.020 18793 3606 1 14 . 1 1 30 30 VAL CB C 30 31.889 31.889 31.876 0.013 18793 3607 1 14 . 1 1 30 30 VAL H H 30 7.823 7.823 8.204 -0.381 18793 3608 1 14 . 1 1 31 31 GLU N N 31 124.976 124.976 118.684 6.292 18793 3609 1 14 . 1 1 31 31 GLU C C 31 176.229 176.229 176.281 -0.052 18793 3610 1 14 . 1 1 31 31 GLU CA C 31 55.397 55.397 56.868 -1.472 18793 3611 1 14 . 1 1 31 31 GLU CB C 31 28.704 28.704 29.800 -1.096 18793 3612 1 14 . 1 1 31 31 GLU H H 31 8.390 8.390 8.156 0.234 18793 3613 1 14 . 1 1 32 32 GLU N N 32 122.629 122.629 118.471 4.158 18793 3614 1 14 . 1 1 32 32 GLU C C 32 175.788 175.788 175.777 0.011 18793 3615 1 14 . 1 1 32 32 GLU CA C 32 55.444 55.444 57.592 -2.147 18793 3616 1 14 . 1 1 32 32 GLU CB C 32 29.001 29.001 28.543 0.458 18793 3617 1 14 . 1 1 32 32 GLU H H 32 8.307 8.307 8.769 -0.462 18793 3618 1 14 . 1 1 33 33 ASN N N 33 119.996 119.996 113.787 6.209 18793 3619 1 14 . 1 1 33 33 ASN C C 33 174.601 174.601 174.975 -0.374 18793 3620 1 14 . 1 1 33 33 ASN CA C 33 52.555 52.555 53.842 -1.287 18793 3621 1 14 . 1 1 33 33 ASN CB C 33 37.778 37.778 39.318 -1.540 18793 3622 1 14 . 1 1 33 33 ASN H H 33 8.386 8.386 8.009 0.377 18793 3623 1 14 . 1 1 34 34 ARG N N 34 122.424 122.424 118.106 4.318 18793 3624 1 14 . 1 1 34 34 ARG C C 34 176.195 176.195 174.212 1.983 18793 3625 1 14 . 1 1 34 34 ARG CA C 34 55.332 55.332 56.769 -1.437 18793 3626 1 14 . 1 1 34 34 ARG CB C 34 29.334 29.334 31.549 -2.216 18793 3627 1 14 . 1 1 34 34 ARG H H 34 8.211 8.211 8.082 0.129 18793 3628 1 14 . 1 1 35 35 THR N N 35 116.319 116.319 114.322 1.997 18793 3629 1 14 . 1 1 35 35 THR C C 35 174.093 174.093 173.423 0.670 18793 3630 1 14 . 1 1 35 35 THR CA C 35 60.999 60.999 63.197 -2.198 18793 3631 1 14 . 1 1 35 35 THR CB C 35 68.887 68.887 68.974 -0.087 18793 3632 1 14 . 1 1 35 35 THR H H 35 8.143 8.143 8.280 -0.137 18793 3633 1 14 . 1 1 36 36 GLU N N 36 123.405 123.405 122.798 0.607 18793 3634 1 14 . 1 1 36 36 GLU C C 36 175.279 175.279 176.730 -1.451 18793 3635 1 14 . 1 1 36 36 GLU CA C 36 55.397 55.397 56.378 -0.981 18793 3636 1 14 . 1 1 36 36 GLU CB C 36 28.815 28.815 30.529 -1.714 18793 3637 1 14 . 1 1 36 36 GLU H H 36 8.270 8.270 8.473 -0.203 18793 3638 1 14 . 1 1 37 37 ALA N N 37 126.500 126.500 125.019 1.481 18793 3639 1 14 . 1 1 37 37 ALA C C 37 175.279 175.279 175.866 -0.587 18793 3640 1 14 . 1 1 37 37 ALA CA C 37 49.638 49.638 51.377 -1.739 18793 3641 1 14 . 1 1 37 37 ALA CB C 37 17.074 17.074 18.552 -1.478 18793 3642 1 14 . 1 1 37 37 ALA H H 37 8.170 8.170 7.889 0.281 18793 3643 1 14 . 1 1 39 39 GLU N N 39 121.397 121.397 121.340 0.057 18793 3644 1 14 . 1 1 39 39 GLU C C 39 176.771 176.771 176.813 -0.042 18793 3645 1 14 . 1 1 39 39 GLU CA C 39 55.999 55.999 56.871 -0.872 18793 3646 1 14 . 1 1 39 39 GLU CB C 39 29.001 29.001 30.706 -1.705 18793 3647 1 14 . 1 1 39 39 GLU H H 39 8.480 8.480 8.909 -0.429 18793 3648 1 14 . 1 1 40 40 GLY N N 40 110.587 110.587 107.320 3.267 18793 3649 1 14 . 1 1 40 40 GLY C C 40 174.330 174.330 174.209 0.121 18793 3650 1 14 . 1 1 40 40 GLY CA C 40 44.555 44.555 45.528 -0.973 18793 3651 1 14 . 1 1 40 40 GLY H H 40 8.388 8.388 8.168 0.220 18793 3652 1 14 . 1 1 41 41 THR N N 41 113.357 113.357 112.221 1.136 18793 3653 1 14 . 1 1 41 41 THR C C 41 175.279 175.279 173.905 1.374 18793 3654 1 14 . 1 1 41 41 THR CA C 41 61.332 61.332 63.208 -1.876 18793 3655 1 14 . 1 1 41 41 THR CB C 41 68.887 68.887 67.819 1.068 18793 3656 1 14 . 1 1 41 41 THR H H 41 8.072 8.072 8.152 -0.080 18793 3657 1 14 . 1 1 42 42 GLU N N 42 123.483 123.483 118.487 4.996 18793 3658 1 14 . 1 1 42 42 GLU C C 42 177.076 177.076 176.485 0.591 18793 3659 1 14 . 1 1 42 42 GLU CA C 42 56.505 56.505 57.102 -0.597 18793 3660 1 14 . 1 1 42 42 GLU CB C 42 28.040 28.040 30.674 -2.634 18793 3661 1 14 . 1 1 42 42 GLU H H 42 8.741 8.741 8.511 0.230 18793 3662 1 14 . 1 1 43 43 SER N N 43 115.380 115.380 114.703 0.677 18793 3663 1 14 . 1 1 43 43 SER C C 43 175.483 175.483 174.785 0.698 18793 3664 1 14 . 1 1 43 43 SER CA C 43 57.999 57.999 58.824 -0.825 18793 3665 1 14 . 1 1 43 43 SER CB C 43 62.221 62.221 63.986 -1.765 18793 3666 1 14 . 1 1 43 43 SER H H 43 8.297 8.297 8.044 0.253 18793 3667 1 14 . 1 1 86 86 VAL N N 86 118.964 118.964 121.461 -2.497 18793 3668 1 14 . 1 1 86 86 VAL C C 86 176.466 176.466 176.588 -0.122 18793 3669 1 14 . 1 1 86 86 VAL CA C 86 64.999 64.999 65.507 -0.508 18793 3670 1 14 . 1 1 86 86 VAL CB C 86 30.112 30.112 32.300 -2.188 18793 3671 1 14 . 1 1 86 86 VAL H H 86 7.342 7.342 8.187 -0.845 18793 3672 1 14 . 1 1 87 87 LYS N N 87 118.061 118.061 119.177 -1.116 18793 3673 1 14 . 1 1 87 87 LYS C C 87 178.669 178.669 178.701 -0.032 18793 3674 1 14 . 1 1 87 87 LYS CA C 87 58.443 58.443 59.822 -1.379 18793 3675 1 14 . 1 1 87 87 LYS CB C 87 30.778 30.778 32.348 -1.570 18793 3676 1 14 . 1 1 87 87 LYS H H 87 7.312 7.312 7.976 -0.664 18793 3677 1 14 . 1 1 88 88 GLN N N 88 116.417 116.417 118.907 -2.490 18793 3678 1 14 . 1 1 88 88 GLN C C 88 177.212 177.212 178.091 -0.879 18793 3679 1 14 . 1 1 88 88 GLN CA C 88 57.888 57.888 58.740 -0.852 18793 3680 1 14 . 1 1 88 88 GLN CB C 88 26.890 26.890 28.841 -1.951 18793 3681 1 14 . 1 1 88 88 GLN H H 88 7.924 7.924 8.079 -0.155 18793 3682 1 14 . 1 1 89 89 ALA N N 89 120.666 120.666 122.694 -2.028 18793 3683 1 14 . 1 1 89 89 ALA C C 89 179.076 179.076 179.463 -0.387 18793 3684 1 14 . 1 1 89 89 ALA CA C 89 53.999 53.999 54.882 -0.882 18793 3685 1 14 . 1 1 89 89 ALA CB C 89 17.113 17.113 18.209 -1.096 18793 3686 1 14 . 1 1 89 89 ALA H H 89 7.605 7.605 8.456 -0.851 18793 3687 1 14 . 1 1 90 90 LEU N N 90 119.883 119.883 118.382 1.501 18793 3688 1 14 . 1 1 90 90 LEU C C 90 179.178 179.178 177.596 1.582 18793 3689 1 14 . 1 1 90 90 LEU CA C 90 57.332 57.332 57.404 -0.072 18793 3690 1 14 . 1 1 90 90 LEU CB C 90 40.889 40.889 41.416 -0.527 18793 3691 1 14 . 1 1 90 90 LEU H H 90 8.283 8.283 7.904 0.379 18793 3692 1 14 . 1 1 91 91 ARG N N 91 118.692 118.692 117.967 0.725 18793 3693 1 14 . 1 1 91 91 ARG C C 91 178.432 178.432 178.312 0.120 18793 3694 1 14 . 1 1 91 91 ARG CA C 91 59.666 59.666 58.564 1.102 18793 3695 1 14 . 1 1 91 91 ARG CB C 91 29.334 29.334 29.599 -0.266 18793 3696 1 14 . 1 1 91 91 ARG H H 91 8.011 8.011 7.078 0.933 18793 3697 1 14 . 1 1 92 92 GLU N N 92 116.799 116.799 118.293 -1.494 18793 3698 1 14 . 1 1 92 92 GLU C C 92 179.788 179.788 178.925 0.863 18793 3699 1 14 . 1 1 92 92 GLU CA C 92 58.110 58.110 58.875 -0.765 18793 3700 1 14 . 1 1 92 92 GLU CB C 92 27.890 27.890 29.119 -1.229 18793 3701 1 14 . 1 1 92 92 GLU H H 92 7.802 7.802 7.635 0.167 18793 3702 1 14 . 1 1 93 93 ALA N N 93 124.583 124.583 119.876 4.707 18793 3703 1 14 . 1 1 93 93 ALA C C 93 180.161 180.161 180.032 0.129 18793 3704 1 14 . 1 1 93 93 ALA CA C 93 54.290 54.290 53.683 0.607 18793 3705 1 14 . 1 1 93 93 ALA CB C 93 18.071 18.071 18.544 -0.473 18793 3706 1 14 . 1 1 93 93 ALA H H 93 8.795 8.795 8.142 0.653 18793 3707 1 14 . 1 1 94 94 GLY N N 94 107.341 107.341 106.321 1.020 18793 3708 1 14 . 1 1 94 94 GLY C C 94 175.673 175.673 174.106 1.567 18793 3709 1 14 . 1 1 94 94 GLY CA C 94 46.333 46.333 46.184 0.149 18793 3710 1 14 . 1 1 94 94 GLY H H 94 8.949 8.949 7.420 1.529 18793 3711 1 14 . 1 1 95 95 ASP N N 95 122.494 122.494 117.686 4.808 18793 3712 1 14 . 1 1 95 95 ASP C C 95 175.822 175.822 176.521 -0.699 18793 3713 1 14 . 1 1 95 95 ASP CA C 95 62.448 62.448 53.622 8.826 18793 3714 1 14 . 1 1 95 95 ASP CB C 95 38.604 38.604 41.359 -2.755 18793 3715 1 14 . 1 1 95 95 ASP H H 95 8.129 8.129 7.272 0.857 18793 3716 1 14 . 1 1 96 96 GLU N N 96 123.198 123.198 118.546 4.652 18793 3717 1 14 . 1 1 96 96 GLU C C 96 177.367 177.367 176.929 0.438 18793 3718 1 14 . 1 1 96 96 GLU CA C 96 57.391 57.391 57.689 -0.298 18793 3719 1 14 . 1 1 96 96 GLU CB C 96 27.929 27.929 29.712 -1.783 18793 3720 1 14 . 1 1 96 96 GLU H H 96 8.691 8.691 7.911 0.780 18793 3721 1 14 . 1 1 97 97 PHE N N 97 113.232 113.232 118.286 -5.054 18793 3722 1 14 . 1 1 97 97 PHE C C 97 175.163 175.163 177.414 -2.251 18793 3723 1 14 . 1 1 97 97 PHE CA C 97 61.888 61.888 60.553 1.335 18793 3724 1 14 . 1 1 97 97 PHE H H 97 7.939 7.939 7.688 0.251 18793 3725 1 15 . 1 1 1 1 MET N N 1 120.233 120.233 121.963 -1.730 18793 3726 1 15 . 1 1 1 1 MET C C 1 176.466 176.466 176.980 -0.514 18793 3727 1 15 . 1 1 1 1 MET CA C 1 54.999 54.999 54.565 0.434 18793 3728 1 15 . 1 1 1 1 MET CB C 1 31.334 31.334 32.913 -1.579 18793 3729 1 15 . 1 1 1 1 MET H H 1 8.288 8.288 8.976 -0.688 18793 3730 1 15 . 1 1 2 2 SER N N 2 117.150 117.150 116.568 0.582 18793 3731 1 15 . 1 1 2 2 SER C C 2 175.585 175.585 176.251 -0.666 18793 3732 1 15 . 1 1 2 2 SER CA C 2 58.221 58.221 61.071 -2.850 18793 3733 1 15 . 1 1 2 2 SER CB C 2 62.221 62.221 63.038 -0.817 18793 3734 1 15 . 1 1 2 2 SER H H 2 8.191 8.191 8.312 -0.121 18793 3735 1 15 . 1 1 3 3 GLN N N 3 122.952 122.952 121.767 1.185 18793 3736 1 15 . 1 1 3 3 GLN C C 3 176.703 176.703 177.881 -1.178 18793 3737 1 15 . 1 1 3 3 GLN CA C 3 55.888 55.888 58.873 -2.985 18793 3738 1 15 . 1 1 3 3 GLN CB C 3 27.445 27.445 28.380 -0.935 18793 3739 1 15 . 1 1 3 3 GLN H H 3 8.334 8.334 8.060 0.274 18793 3740 1 15 . 1 1 4 4 SER N N 4 117.024 117.024 114.073 2.951 18793 3741 1 15 . 1 1 4 4 SER C C 4 176.059 176.059 176.608 -0.549 18793 3742 1 15 . 1 1 4 4 SER CA C 4 59.443 59.443 61.051 -1.608 18793 3743 1 15 . 1 1 4 4 SER CB C 4 61.888 61.888 62.655 -0.767 18793 3744 1 15 . 1 1 4 4 SER H H 4 8.300 8.300 8.095 0.205 18793 3745 1 15 . 1 1 5 5 ASN N N 5 122.025 122.025 119.490 2.535 18793 3746 1 15 . 1 1 5 5 ASN C C 5 177.049 177.049 177.152 -0.103 18793 3747 1 15 . 1 1 5 5 ASN CA C 5 55.110 55.110 55.760 -0.650 18793 3748 1 15 . 1 1 5 5 ASN CB C 5 37.454 37.454 38.859 -1.405 18793 3749 1 15 . 1 1 5 5 ASN H H 5 8.517 8.517 8.538 -0.021 18793 3750 1 15 . 1 1 6 6 ARG N N 6 119.117 119.117 120.330 -1.213 18793 3751 1 15 . 1 1 6 6 ARG C C 6 177.144 177.144 178.278 -1.134 18793 3752 1 15 . 1 1 6 6 ARG CA C 6 57.366 57.366 59.224 -1.858 18793 3753 1 15 . 1 1 6 6 ARG CB C 6 28.348 28.348 30.272 -1.924 18793 3754 1 15 . 1 1 6 6 ARG H H 6 8.194 8.194 7.756 0.438 18793 3755 1 15 . 1 1 7 7 GLU N N 7 117.987 117.987 119.321 -1.334 18793 3756 1 15 . 1 1 7 7 GLU C C 7 179.178 179.178 178.318 0.860 18793 3757 1 15 . 1 1 7 7 GLU CA C 7 58.332 58.332 58.874 -0.542 18793 3758 1 15 . 1 1 7 7 GLU CB C 7 28.112 28.112 29.025 -0.913 18793 3759 1 15 . 1 1 7 7 GLU H H 7 7.902 7.902 8.179 -0.277 18793 3760 1 15 . 1 1 8 8 LEU N N 8 120.359 120.359 121.071 -0.712 18793 3761 1 15 . 1 1 8 8 LEU C C 8 178.161 178.161 178.285 -0.124 18793 3762 1 15 . 1 1 8 8 LEU CA C 8 56.999 56.999 58.153 -1.154 18793 3763 1 15 . 1 1 8 8 LEU CB C 8 40.222 40.222 42.237 -2.015 18793 3764 1 15 . 1 1 8 8 LEU H H 8 7.690 7.690 7.209 0.481 18793 3765 1 15 . 1 1 9 9 VAL N N 9 117.926 117.926 116.519 1.407 18793 3766 1 15 . 1 1 9 9 VAL C C 9 176.839 176.839 177.656 -0.817 18793 3767 1 15 . 1 1 9 9 VAL CA C 9 66.554 66.554 66.015 0.539 18793 3768 1 15 . 1 1 9 9 VAL CB C 9 31.001 31.001 30.909 0.092 18793 3769 1 15 . 1 1 9 9 VAL H H 9 7.512 7.512 7.792 -0.280 18793 3770 1 15 . 1 1 10 10 VAL N N 10 117.730 117.730 119.786 -2.056 18793 3771 1 15 . 1 1 10 10 VAL C C 10 178.364 178.364 177.615 0.749 18793 3772 1 15 . 1 1 10 10 VAL CA C 10 65.999 65.999 66.432 -0.433 18793 3773 1 15 . 1 1 10 10 VAL CB C 10 30.112 30.112 30.238 -0.127 18793 3774 1 15 . 1 1 10 10 VAL H H 10 8.254 8.254 7.315 0.939 18793 3775 1 15 . 1 1 11 11 ASP N N 11 121.346 121.346 121.982 -0.636 18793 3776 1 15 . 1 1 11 11 ASP C C 11 177.212 177.212 178.695 -1.483 18793 3777 1 15 . 1 1 11 11 ASP CA C 11 57.999 57.999 57.752 0.248 18793 3778 1 15 . 1 1 11 11 ASP CB C 11 42.111 42.111 41.178 0.933 18793 3779 1 15 . 1 1 11 11 ASP H H 11 8.029 8.029 8.036 -0.007 18793 3780 1 15 . 1 1 12 12 PHE N N 12 120.632 120.632 118.953 1.679 18793 3781 1 15 . 1 1 12 12 PHE C C 12 177.890 177.890 177.233 0.657 18793 3782 1 15 . 1 1 12 12 PHE CA C 12 62.110 62.110 60.496 1.614 18793 3783 1 15 . 1 1 12 12 PHE CB C 12 38.778 38.778 38.704 0.074 18793 3784 1 15 . 1 1 12 12 PHE H H 12 8.120 8.120 7.835 0.285 18793 3785 1 15 . 1 1 13 13 LEU N N 13 117.068 117.068 120.780 -3.712 18793 3786 1 15 . 1 1 13 13 LEU C C 13 179.280 179.280 178.825 0.455 18793 3787 1 15 . 1 1 13 13 LEU CA C 13 57.555 57.555 57.303 0.252 18793 3788 1 15 . 1 1 13 13 LEU CB C 13 40.222 40.222 41.059 -0.837 18793 3789 1 15 . 1 1 13 13 LEU H H 13 8.770 8.770 7.328 1.442 18793 3790 1 15 . 1 1 14 14 SER N N 14 114.398 114.398 115.387 -0.989 18793 3791 1 15 . 1 1 14 14 SER C C 14 176.941 176.941 176.602 0.339 18793 3792 1 15 . 1 1 14 14 SER CA C 14 61.777 61.777 62.045 -0.268 18793 3793 1 15 . 1 1 14 14 SER CB C 14 60.824 60.824 63.072 -2.248 18793 3794 1 15 . 1 1 14 14 SER H H 14 8.407 8.407 8.092 0.315 18793 3795 1 15 . 1 1 15 15 TYR N N 15 125.435 125.435 123.559 1.876 18793 3796 1 15 . 1 1 15 15 TYR C C 15 177.991 177.991 177.612 0.379 18793 3797 1 15 . 1 1 15 15 TYR CA C 15 59.274 59.274 61.353 -2.079 18793 3798 1 15 . 1 1 15 15 TYR CB C 15 36.457 36.457 38.534 -2.077 18793 3799 1 15 . 1 1 15 15 TYR H H 15 8.129 8.129 7.696 0.433 18793 3800 1 15 . 1 1 16 16 LYS N N 16 120.549 120.549 119.946 0.603 18793 3801 1 15 . 1 1 16 16 LYS C C 16 180.127 180.127 179.584 0.543 18793 3802 1 15 . 1 1 16 16 LYS CA C 16 56.221 56.221 58.991 -2.770 18793 3803 1 15 . 1 1 16 16 LYS CB C 16 28.223 28.223 31.970 -3.747 18793 3804 1 15 . 1 1 16 16 LYS H H 16 8.150 8.150 7.884 0.266 18793 3805 1 15 . 1 1 17 17 LEU N N 17 118.843 118.843 119.922 -1.079 18793 3806 1 15 . 1 1 17 17 LEU C C 17 179.653 179.653 178.838 0.815 18793 3807 1 15 . 1 1 17 17 LEU CA C 17 57.777 57.777 57.755 0.022 18793 3808 1 15 . 1 1 17 17 LEU CB C 17 39.667 39.667 41.922 -2.256 18793 3809 1 15 . 1 1 17 17 LEU H H 17 8.581 8.581 8.240 0.341 18793 3810 1 15 . 1 1 18 18 SER N N 18 117.814 117.814 114.329 3.485 18793 3811 1 15 . 1 1 18 18 SER C C 18 178.297 178.297 175.745 2.552 18793 3812 1 15 . 1 1 18 18 SER CA C 18 60.492 60.492 61.234 -0.742 18793 3813 1 15 . 1 1 18 18 SER CB C 18 61.600 61.600 63.008 -1.409 18793 3814 1 15 . 1 1 18 18 SER H H 18 8.272 8.272 8.153 0.119 18793 3815 1 15 . 1 1 19 19 GLN N N 19 123.182 123.182 119.723 3.459 18793 3816 1 15 . 1 1 19 19 GLN C C 19 176.941 176.941 177.524 -0.583 18793 3817 1 15 . 1 1 19 19 GLN CA C 19 57.666 57.666 58.288 -0.623 18793 3818 1 15 . 1 1 19 19 GLN CB C 19 27.334 27.334 28.898 -1.564 18793 3819 1 15 . 1 1 19 19 GLN H H 19 7.562 7.562 7.561 0.001 18793 3820 1 15 . 1 1 20 20 LYS N N 20 116.732 116.732 117.223 -0.491 18793 3821 1 15 . 1 1 20 20 LYS C C 20 175.178 175.178 176.469 -1.291 18793 3822 1 15 . 1 1 20 20 LYS CA C 20 52.999 52.999 55.994 -2.995 18793 3823 1 15 . 1 1 20 20 LYS CB C 20 31.445 31.445 33.984 -2.539 18793 3824 1 15 . 1 1 20 20 LYS H H 20 7.114 7.114 7.590 -0.476 18793 3825 1 15 . 1 1 21 21 GLY N N 21 105.804 105.804 105.888 -0.084 18793 3826 1 15 . 1 1 21 21 GLY C C 21 173.652 173.652 172.897 0.755 18793 3827 1 15 . 1 1 21 21 GLY CA C 21 44.210 44.210 44.768 -0.558 18793 3828 1 15 . 1 1 21 21 GLY H H 21 7.451 7.451 7.563 -0.112 18793 3829 1 15 . 1 1 22 22 TYR N N 22 120.097 120.097 118.648 1.449 18793 3830 1 15 . 1 1 22 22 TYR C C 22 174.737 174.737 173.589 1.148 18793 3831 1 15 . 1 1 22 22 TYR CA C 22 54.666 54.666 57.349 -2.683 18793 3832 1 15 . 1 1 22 22 TYR CB C 22 39.667 39.667 42.355 -2.688 18793 3833 1 15 . 1 1 22 22 TYR H H 22 7.769 7.769 7.323 0.446 18793 3834 1 15 . 1 1 23 23 SER N N 23 115.275 115.275 114.191 1.084 18793 3835 1 15 . 1 1 23 23 SER C C 23 174.262 174.262 173.197 1.065 18793 3836 1 15 . 1 1 23 23 SER CA C 23 55.888 55.888 55.647 0.241 18793 3837 1 15 . 1 1 23 23 SER CB C 23 63.888 63.888 65.388 -1.500 18793 3838 1 15 . 1 1 23 23 SER H H 23 8.483 8.483 8.264 0.219 18793 3839 1 15 . 1 1 24 24 TRP N N 24 127.826 127.826 124.454 3.372 18793 3840 1 15 . 1 1 24 24 TRP C C 24 176.669 176.669 176.811 -0.142 18793 3841 1 15 . 1 1 24 24 TRP CA C 24 59.385 59.385 60.547 -1.163 18793 3842 1 15 . 1 1 24 24 TRP CB C 24 29.479 29.479 29.822 -0.343 18793 3843 1 15 . 1 1 24 24 TRP H H 24 8.928 8.928 9.004 -0.076 18793 3844 1 15 . 1 1 25 25 SER N N 25 111.710 111.710 111.361 0.349 18793 3845 1 15 . 1 1 25 25 SER C C 25 174.974 174.974 175.445 -0.471 18793 3846 1 15 . 1 1 25 25 SER CA C 25 59.332 59.332 59.856 -0.524 18793 3847 1 15 . 1 1 25 25 SER CB C 25 61.888 61.888 64.270 -2.382 18793 3848 1 15 . 1 1 25 25 SER H H 25 8.146 8.146 7.820 0.326 18793 3849 1 15 . 1 1 26 26 GLN N N 26 119.553 119.553 116.392 3.161 18793 3850 1 15 . 1 1 26 26 GLN C C 26 175.991 175.991 175.296 0.695 18793 3851 1 15 . 1 1 26 26 GLN CA C 26 56.332 56.332 57.137 -0.805 18793 3852 1 15 . 1 1 26 26 GLN CB C 26 27.112 27.112 29.790 -2.678 18793 3853 1 15 . 1 1 26 26 GLN H H 26 7.319 7.319 7.946 -0.627 18793 3854 1 15 . 1 1 27 27 PHE N N 27 116.264 116.264 117.579 -1.315 18793 3855 1 15 . 1 1 27 27 PHE C C 27 174.635 174.635 174.113 0.522 18793 3856 1 15 . 1 1 27 27 PHE CA C 27 55.555 55.555 59.023 -3.468 18793 3857 1 15 . 1 1 27 27 PHE CB C 27 38.556 38.556 42.333 -3.777 18793 3858 1 15 . 1 1 27 27 PHE H H 27 7.109 7.109 8.125 -1.016 18793 3859 1 15 . 1 1 28 28 SER N N 28 114.011 114.011 113.373 0.638 18793 3860 1 15 . 1 1 28 28 SER C C 28 173.313 173.313 173.568 -0.255 18793 3861 1 15 . 1 1 28 28 SER CA C 28 56.555 56.555 58.132 -1.577 18793 3862 1 15 . 1 1 28 28 SER CB C 28 62.665 62.665 63.432 -0.767 18793 3863 1 15 . 1 1 28 28 SER H H 28 7.058 7.058 7.847 -0.789 18793 3864 1 15 . 1 1 29 29 ASP N N 29 123.008 123.008 125.745 -2.737 18793 3865 1 15 . 1 1 29 29 ASP C C 29 175.991 175.991 176.475 -0.484 18793 3866 1 15 . 1 1 29 29 ASP CA C 29 53.333 53.333 54.840 -1.507 18793 3867 1 15 . 1 1 29 29 ASP CB C 29 39.889 39.889 41.909 -2.020 18793 3868 1 15 . 1 1 29 29 ASP H H 29 8.220 8.220 9.075 -0.855 18793 3869 1 15 . 1 1 30 30 VAL N N 30 119.570 119.570 114.981 4.589 18793 3870 1 15 . 1 1 30 30 VAL C C 30 175.788 175.788 174.853 0.935 18793 3871 1 15 . 1 1 30 30 VAL CA C 30 61.332 61.332 61.032 0.300 18793 3872 1 15 . 1 1 30 30 VAL CB C 30 31.889 31.889 30.734 1.155 18793 3873 1 15 . 1 1 30 30 VAL H H 30 7.823 7.823 8.240 -0.417 18793 3874 1 15 . 1 1 31 31 GLU N N 31 124.976 124.976 120.585 4.391 18793 3875 1 15 . 1 1 31 31 GLU C C 31 176.229 176.229 176.117 0.112 18793 3876 1 15 . 1 1 31 31 GLU CA C 31 55.397 55.397 57.400 -2.003 18793 3877 1 15 . 1 1 31 31 GLU CB C 31 28.704 28.704 29.087 -0.383 18793 3878 1 15 . 1 1 31 31 GLU H H 31 8.390 8.390 8.562 -0.172 18793 3879 1 15 . 1 1 32 32 GLU N N 32 122.629 122.629 118.057 4.572 18793 3880 1 15 . 1 1 32 32 GLU C C 32 175.788 175.788 174.982 0.806 18793 3881 1 15 . 1 1 32 32 GLU CA C 32 55.444 55.444 57.107 -1.663 18793 3882 1 15 . 1 1 32 32 GLU CB C 32 29.001 29.001 31.167 -2.166 18793 3883 1 15 . 1 1 32 32 GLU H H 32 8.307 8.307 8.063 0.244 18793 3884 1 15 . 1 1 33 33 ASN N N 33 119.996 119.996 117.755 2.241 18793 3885 1 15 . 1 1 33 33 ASN C C 33 174.601 174.601 174.379 0.222 18793 3886 1 15 . 1 1 33 33 ASN CA C 33 52.555 52.555 54.112 -1.557 18793 3887 1 15 . 1 1 33 33 ASN CB C 33 37.778 37.778 38.039 -0.262 18793 3888 1 15 . 1 1 33 33 ASN H H 33 8.386 8.386 8.604 -0.218 18793 3889 1 15 . 1 1 34 34 ARG N N 34 122.424 122.424 122.122 0.302 18793 3890 1 15 . 1 1 34 34 ARG C C 34 176.195 176.195 176.820 -0.625 18793 3891 1 15 . 1 1 34 34 ARG CA C 34 55.332 55.332 55.413 -0.081 18793 3892 1 15 . 1 1 34 34 ARG CB C 34 29.334 29.334 30.622 -1.288 18793 3893 1 15 . 1 1 34 34 ARG H H 34 8.211 8.211 8.506 -0.295 18793 3894 1 15 . 1 1 35 35 THR N N 35 116.319 116.319 112.349 3.970 18793 3895 1 15 . 1 1 35 35 THR C C 35 174.093 174.093 175.261 -1.168 18793 3896 1 15 . 1 1 35 35 THR CA C 35 60.999 60.999 64.162 -3.163 18793 3897 1 15 . 1 1 35 35 THR CB C 35 68.887 68.887 68.876 0.011 18793 3898 1 15 . 1 1 35 35 THR H H 35 8.143 8.143 8.128 0.015 18793 3899 1 15 . 1 1 36 36 GLU N N 36 123.405 123.405 119.174 4.231 18793 3900 1 15 . 1 1 36 36 GLU C C 36 175.279 175.279 175.654 -0.375 18793 3901 1 15 . 1 1 36 36 GLU CA C 36 55.397 55.397 56.569 -1.172 18793 3902 1 15 . 1 1 36 36 GLU CB C 36 28.815 28.815 30.279 -1.464 18793 3903 1 15 . 1 1 36 36 GLU H H 36 8.270 8.270 8.257 0.013 18793 3904 1 15 . 1 1 37 37 ALA N N 37 126.500 126.500 125.879 0.621 18793 3905 1 15 . 1 1 37 37 ALA C C 37 175.279 175.279 175.982 -0.703 18793 3906 1 15 . 1 1 37 37 ALA CA C 37 49.638 49.638 51.179 -1.541 18793 3907 1 15 . 1 1 37 37 ALA CB C 37 17.074 17.074 18.250 -1.176 18793 3908 1 15 . 1 1 37 37 ALA H H 37 8.170 8.170 8.118 0.052 18793 3909 1 15 . 1 1 39 39 GLU N N 39 121.397 121.397 115.972 5.425 18793 3910 1 15 . 1 1 39 39 GLU C C 39 176.771 176.771 175.115 1.656 18793 3911 1 15 . 1 1 39 39 GLU CA C 39 55.999 55.999 55.926 0.073 18793 3912 1 15 . 1 1 39 39 GLU CB C 39 29.001 29.001 29.627 -0.626 18793 3913 1 15 . 1 1 39 39 GLU H H 39 8.480 8.480 8.460 0.020 18793 3914 1 15 . 1 1 40 40 GLY N N 40 110.587 110.587 109.469 1.118 18793 3915 1 15 . 1 1 40 40 GLY C C 40 174.330 174.330 173.884 0.446 18793 3916 1 15 . 1 1 40 40 GLY CA C 40 44.555 44.555 45.579 -1.024 18793 3917 1 15 . 1 1 40 40 GLY H H 40 8.388 8.388 8.119 0.269 18793 3918 1 15 . 1 1 41 41 THR N N 41 113.357 113.357 112.010 1.347 18793 3919 1 15 . 1 1 41 41 THR C C 41 175.279 175.279 174.195 1.084 18793 3920 1 15 . 1 1 41 41 THR CA C 41 61.332 61.332 62.442 -1.110 18793 3921 1 15 . 1 1 41 41 THR CB C 41 68.887 68.887 69.169 -0.282 18793 3922 1 15 . 1 1 41 41 THR H H 41 8.072 8.072 7.726 0.346 18793 3923 1 15 . 1 1 42 42 GLU N N 42 123.483 123.483 119.709 3.774 18793 3924 1 15 . 1 1 42 42 GLU C C 42 177.076 177.076 176.625 0.451 18793 3925 1 15 . 1 1 42 42 GLU CA C 42 56.505 56.505 56.984 -0.479 18793 3926 1 15 . 1 1 42 42 GLU CB C 42 28.040 28.040 30.592 -2.552 18793 3927 1 15 . 1 1 42 42 GLU H H 42 8.741 8.741 8.161 0.580 18793 3928 1 15 . 1 1 43 43 SER N N 43 115.380 115.380 115.777 -0.397 18793 3929 1 15 . 1 1 43 43 SER C C 43 175.483 175.483 174.763 0.720 18793 3930 1 15 . 1 1 43 43 SER CA C 43 57.999 57.999 60.575 -2.575 18793 3931 1 15 . 1 1 43 43 SER CB C 43 62.221 62.221 63.628 -1.407 18793 3932 1 15 . 1 1 43 43 SER H H 43 8.297 8.297 8.174 0.123 18793 3933 1 15 . 1 1 86 86 VAL N N 86 118.964 118.964 121.484 -2.520 18793 3934 1 15 . 1 1 86 86 VAL C C 86 176.466 176.466 176.315 0.151 18793 3935 1 15 . 1 1 86 86 VAL CA C 86 64.999 64.999 65.185 -0.186 18793 3936 1 15 . 1 1 86 86 VAL CB C 86 30.112 30.112 31.857 -1.744 18793 3937 1 15 . 1 1 86 86 VAL H H 86 7.342 7.342 8.415 -1.073 18793 3938 1 15 . 1 1 87 87 LYS N N 87 118.061 118.061 119.106 -1.045 18793 3939 1 15 . 1 1 87 87 LYS C C 87 178.669 178.669 178.644 0.025 18793 3940 1 15 . 1 1 87 87 LYS CA C 87 58.443 58.443 59.527 -1.084 18793 3941 1 15 . 1 1 87 87 LYS CB C 87 30.778 30.778 32.212 -1.434 18793 3942 1 15 . 1 1 87 87 LYS H H 87 7.312 7.312 8.034 -0.722 18793 3943 1 15 . 1 1 88 88 GLN N N 88 116.417 116.417 118.676 -2.259 18793 3944 1 15 . 1 1 88 88 GLN C C 88 177.212 177.212 177.819 -0.607 18793 3945 1 15 . 1 1 88 88 GLN CA C 88 57.888 57.888 58.481 -0.593 18793 3946 1 15 . 1 1 88 88 GLN CB C 88 26.890 26.890 28.623 -1.733 18793 3947 1 15 . 1 1 88 88 GLN H H 88 7.924 7.924 7.713 0.211 18793 3948 1 15 . 1 1 89 89 ALA N N 89 120.666 120.666 122.642 -1.976 18793 3949 1 15 . 1 1 89 89 ALA C C 89 179.076 179.076 178.834 0.242 18793 3950 1 15 . 1 1 89 89 ALA CA C 89 53.999 53.999 54.896 -0.897 18793 3951 1 15 . 1 1 89 89 ALA CB C 89 17.113 17.113 18.276 -1.163 18793 3952 1 15 . 1 1 89 89 ALA H H 89 7.605 7.605 8.342 -0.737 18793 3953 1 15 . 1 1 90 90 LEU N N 90 119.883 119.883 118.086 1.797 18793 3954 1 15 . 1 1 90 90 LEU C C 90 179.178 179.178 178.547 0.631 18793 3955 1 15 . 1 1 90 90 LEU CA C 90 57.332 57.332 57.023 0.309 18793 3956 1 15 . 1 1 90 90 LEU CB C 90 40.889 40.889 41.147 -0.258 18793 3957 1 15 . 1 1 90 90 LEU H H 90 8.283 8.283 7.386 0.897 18793 3958 1 15 . 1 1 91 91 ARG N N 91 118.692 118.692 118.569 0.123 18793 3959 1 15 . 1 1 91 91 ARG C C 91 178.432 178.432 178.054 0.378 18793 3960 1 15 . 1 1 91 91 ARG CA C 91 59.666 59.666 58.392 1.274 18793 3961 1 15 . 1 1 91 91 ARG CB C 91 29.334 29.334 29.491 -0.157 18793 3962 1 15 . 1 1 91 91 ARG H H 91 8.011 8.011 7.141 0.870 18793 3963 1 15 . 1 1 92 92 GLU N N 92 116.799 116.799 118.282 -1.483 18793 3964 1 15 . 1 1 92 92 GLU C C 92 179.788 179.788 178.830 0.958 18793 3965 1 15 . 1 1 92 92 GLU CA C 92 58.110 58.110 58.971 -0.861 18793 3966 1 15 . 1 1 92 92 GLU CB C 92 27.890 27.890 29.183 -1.293 18793 3967 1 15 . 1 1 92 92 GLU H H 92 7.802 7.802 7.506 0.296 18793 3968 1 15 . 1 1 93 93 ALA N N 93 124.583 124.583 119.755 4.828 18793 3969 1 15 . 1 1 93 93 ALA C C 93 180.161 180.161 179.130 1.031 18793 3970 1 15 . 1 1 93 93 ALA CA C 93 54.290 54.290 53.677 0.613 18793 3971 1 15 . 1 1 93 93 ALA CB C 93 18.071 18.071 18.366 -0.295 18793 3972 1 15 . 1 1 93 93 ALA H H 93 8.795 8.795 8.073 0.722 18793 3973 1 15 . 1 1 94 94 GLY N N 94 107.341 107.341 104.651 2.690 18793 3974 1 15 . 1 1 94 94 GLY C C 94 175.673 175.673 174.453 1.220 18793 3975 1 15 . 1 1 94 94 GLY CA C 94 46.333 46.333 46.608 -0.275 18793 3976 1 15 . 1 1 94 94 GLY H H 94 8.949 8.949 7.563 1.386 18793 3977 1 15 . 1 1 95 95 ASP N N 95 122.494 122.494 114.109 8.385 18793 3978 1 15 . 1 1 95 95 ASP C C 95 175.822 175.822 176.112 -0.290 18793 3979 1 15 . 1 1 95 95 ASP CA C 95 62.448 62.448 53.012 9.436 18793 3980 1 15 . 1 1 95 95 ASP CB C 95 38.604 38.604 41.654 -3.050 18793 3981 1 15 . 1 1 95 95 ASP H H 95 8.129 8.129 7.456 0.673 18793 3982 1 15 . 1 1 96 96 GLU N N 96 123.198 123.198 118.852 4.346 18793 3983 1 15 . 1 1 96 96 GLU C C 96 177.367 177.367 176.454 0.913 18793 3984 1 15 . 1 1 96 96 GLU CA C 96 57.391 57.391 58.349 -0.958 18793 3985 1 15 . 1 1 96 96 GLU CB C 96 27.929 27.929 30.411 -2.482 18793 3986 1 15 . 1 1 96 96 GLU H H 96 8.691 8.691 7.736 0.955 18793 3987 1 15 . 1 1 97 97 PHE N N 97 113.232 113.232 118.016 -4.784 18793 3988 1 15 . 1 1 97 97 PHE C C 97 175.163 175.163 177.148 -1.985 18793 3989 1 15 . 1 1 97 97 PHE CA C 97 61.888 61.888 60.536 1.352 18793 3990 1 15 . 1 1 97 97 PHE H H 97 7.939 7.939 7.940 -0.001 18793 3991 1 16 . 1 1 1 1 MET N N 1 120.233 120.233 120.308 -0.075 18793 3992 1 16 . 1 1 1 1 MET C C 1 176.466 176.466 175.201 1.265 18793 3993 1 16 . 1 1 1 1 MET CA C 1 54.999 54.999 56.308 -1.309 18793 3994 1 16 . 1 1 1 1 MET CB C 1 31.334 31.334 31.926 -0.592 18793 3995 1 16 . 1 1 1 1 MET H H 1 8.288 8.288 9.019 -0.731 18793 3996 1 16 . 1 1 2 2 SER N N 2 117.150 117.150 107.592 9.558 18793 3997 1 16 . 1 1 2 2 SER C C 2 175.585 175.585 175.010 0.575 18793 3998 1 16 . 1 1 2 2 SER CA C 2 58.221 58.221 59.349 -1.128 18793 3999 1 16 . 1 1 2 2 SER CB C 2 62.221 62.221 61.409 0.812 18793 4000 1 16 . 1 1 2 2 SER H H 2 8.191 8.191 8.261 -0.070 18793 4001 1 16 . 1 1 3 3 GLN N N 3 122.952 122.952 121.298 1.654 18793 4002 1 16 . 1 1 3 3 GLN C C 3 176.703 176.703 177.172 -0.469 18793 4003 1 16 . 1 1 3 3 GLN CA C 3 55.888 55.888 59.524 -3.636 18793 4004 1 16 . 1 1 3 3 GLN CB C 3 27.445 27.445 29.071 -1.626 18793 4005 1 16 . 1 1 3 3 GLN H H 3 8.334 8.334 8.163 0.171 18793 4006 1 16 . 1 1 4 4 SER N N 4 117.024 117.024 114.716 2.308 18793 4007 1 16 . 1 1 4 4 SER C C 4 176.059 176.059 176.434 -0.375 18793 4008 1 16 . 1 1 4 4 SER CA C 4 59.443 59.443 61.080 -1.637 18793 4009 1 16 . 1 1 4 4 SER CB C 4 61.888 61.888 62.642 -0.754 18793 4010 1 16 . 1 1 4 4 SER H H 4 8.300 8.300 8.688 -0.388 18793 4011 1 16 . 1 1 5 5 ASN N N 5 122.025 122.025 120.215 1.810 18793 4012 1 16 . 1 1 5 5 ASN C C 5 177.049 177.049 176.971 0.078 18793 4013 1 16 . 1 1 5 5 ASN CA C 5 55.110 55.110 55.766 -0.656 18793 4014 1 16 . 1 1 5 5 ASN CB C 5 37.454 37.454 38.427 -0.973 18793 4015 1 16 . 1 1 5 5 ASN H H 5 8.517 8.517 8.140 0.377 18793 4016 1 16 . 1 1 6 6 ARG N N 6 119.117 119.117 121.031 -1.914 18793 4017 1 16 . 1 1 6 6 ARG C C 6 177.144 177.144 178.415 -1.271 18793 4018 1 16 . 1 1 6 6 ARG CA C 6 57.366 57.366 60.174 -2.808 18793 4019 1 16 . 1 1 6 6 ARG CB C 6 28.348 28.348 30.115 -1.767 18793 4020 1 16 . 1 1 6 6 ARG H H 6 8.194 8.194 7.914 0.280 18793 4021 1 16 . 1 1 7 7 GLU N N 7 117.987 117.987 118.941 -0.954 18793 4022 1 16 . 1 1 7 7 GLU C C 7 179.178 179.178 178.817 0.361 18793 4023 1 16 . 1 1 7 7 GLU CA C 7 58.332 58.332 59.117 -0.785 18793 4024 1 16 . 1 1 7 7 GLU CB C 7 28.112 28.112 29.265 -1.153 18793 4025 1 16 . 1 1 7 7 GLU H H 7 7.902 7.902 7.712 0.190 18793 4026 1 16 . 1 1 8 8 LEU N N 8 120.359 120.359 121.928 -1.569 18793 4027 1 16 . 1 1 8 8 LEU C C 8 178.161 178.161 178.828 -0.667 18793 4028 1 16 . 1 1 8 8 LEU CA C 8 56.999 56.999 58.225 -1.226 18793 4029 1 16 . 1 1 8 8 LEU CB C 8 40.222 40.222 42.046 -1.824 18793 4030 1 16 . 1 1 8 8 LEU H H 8 7.690 7.690 7.721 -0.031 18793 4031 1 16 . 1 1 9 9 VAL N N 9 117.926 117.926 118.622 -0.696 18793 4032 1 16 . 1 1 9 9 VAL C C 9 176.839 176.839 178.173 -1.334 18793 4033 1 16 . 1 1 9 9 VAL CA C 9 66.554 66.554 66.045 0.509 18793 4034 1 16 . 1 1 9 9 VAL CB C 9 31.001 31.001 30.670 0.331 18793 4035 1 16 . 1 1 9 9 VAL H H 9 7.512 7.512 8.327 -0.815 18793 4036 1 16 . 1 1 10 10 VAL N N 10 117.730 117.730 121.049 -3.319 18793 4037 1 16 . 1 1 10 10 VAL C C 10 178.364 178.364 178.225 0.139 18793 4038 1 16 . 1 1 10 10 VAL CA C 10 65.999 65.999 67.020 -1.021 18793 4039 1 16 . 1 1 10 10 VAL CB C 10 30.112 30.112 30.355 -0.243 18793 4040 1 16 . 1 1 10 10 VAL H H 10 8.254 8.254 8.463 -0.209 18793 4041 1 16 . 1 1 11 11 ASP N N 11 121.346 121.346 120.216 1.130 18793 4042 1 16 . 1 1 11 11 ASP C C 11 177.212 177.212 178.734 -1.522 18793 4043 1 16 . 1 1 11 11 ASP CA C 11 57.999 57.999 57.455 0.544 18793 4044 1 16 . 1 1 11 11 ASP CB C 11 42.111 42.111 40.846 1.265 18793 4045 1 16 . 1 1 11 11 ASP H H 11 8.029 8.029 8.471 -0.442 18793 4046 1 16 . 1 1 12 12 PHE N N 12 120.632 120.632 120.160 0.472 18793 4047 1 16 . 1 1 12 12 PHE C C 12 177.890 177.890 178.099 -0.209 18793 4048 1 16 . 1 1 12 12 PHE CA C 12 62.110 62.110 61.661 0.449 18793 4049 1 16 . 1 1 12 12 PHE CB C 12 38.778 38.778 39.350 -0.572 18793 4050 1 16 . 1 1 12 12 PHE H H 12 8.120 8.120 7.829 0.291 18793 4051 1 16 . 1 1 13 13 LEU N N 13 117.068 117.068 120.782 -3.714 18793 4052 1 16 . 1 1 13 13 LEU C C 13 179.280 179.280 179.230 0.050 18793 4053 1 16 . 1 1 13 13 LEU CA C 13 57.555 57.555 58.607 -1.052 18793 4054 1 16 . 1 1 13 13 LEU CB C 13 40.222 40.222 41.914 -1.692 18793 4055 1 16 . 1 1 13 13 LEU H H 13 8.770 8.770 9.117 -0.347 18793 4056 1 16 . 1 1 14 14 SER N N 14 114.398 114.398 115.126 -0.728 18793 4057 1 16 . 1 1 14 14 SER C C 14 176.941 176.941 176.703 0.238 18793 4058 1 16 . 1 1 14 14 SER CA C 14 61.777 61.777 62.090 -0.313 18793 4059 1 16 . 1 1 14 14 SER CB C 14 60.824 60.824 63.453 -2.629 18793 4060 1 16 . 1 1 14 14 SER H H 14 8.407 8.407 8.771 -0.364 18793 4061 1 16 . 1 1 15 15 TYR N N 15 125.435 125.435 122.764 2.671 18793 4062 1 16 . 1 1 15 15 TYR C C 15 177.991 177.991 177.257 0.734 18793 4063 1 16 . 1 1 15 15 TYR CA C 15 59.274 59.274 61.753 -2.479 18793 4064 1 16 . 1 1 15 15 TYR CB C 15 36.457 36.457 38.621 -2.164 18793 4065 1 16 . 1 1 15 15 TYR H H 15 8.129 8.129 8.431 -0.302 18793 4066 1 16 . 1 1 16 16 LYS N N 16 120.549 120.549 118.994 1.555 18793 4067 1 16 . 1 1 16 16 LYS C C 16 180.127 180.127 179.162 0.965 18793 4068 1 16 . 1 1 16 16 LYS CA C 16 56.221 56.221 58.366 -2.145 18793 4069 1 16 . 1 1 16 16 LYS CB C 16 28.223 28.223 32.340 -4.117 18793 4070 1 16 . 1 1 16 16 LYS H H 16 8.150 8.150 7.794 0.356 18793 4071 1 16 . 1 1 17 17 LEU N N 17 118.843 118.843 119.380 -0.537 18793 4072 1 16 . 1 1 17 17 LEU C C 17 179.653 179.653 178.884 0.769 18793 4073 1 16 . 1 1 17 17 LEU CA C 17 57.777 57.777 57.328 0.449 18793 4074 1 16 . 1 1 17 17 LEU CB C 17 39.667 39.667 42.248 -2.581 18793 4075 1 16 . 1 1 17 17 LEU H H 17 8.581 8.581 8.703 -0.122 18793 4076 1 16 . 1 1 18 18 SER N N 18 117.814 117.814 114.752 3.062 18793 4077 1 16 . 1 1 18 18 SER C C 18 178.297 178.297 175.943 2.354 18793 4078 1 16 . 1 1 18 18 SER CA C 18 60.492 60.492 61.727 -1.235 18793 4079 1 16 . 1 1 18 18 SER CB C 18 61.600 61.600 63.061 -1.461 18793 4080 1 16 . 1 1 18 18 SER H H 18 8.272 8.272 8.205 0.067 18793 4081 1 16 . 1 1 19 19 GLN N N 19 123.182 123.182 120.020 3.162 18793 4082 1 16 . 1 1 19 19 GLN C C 19 176.941 176.941 177.466 -0.525 18793 4083 1 16 . 1 1 19 19 GLN CA C 19 57.666 57.666 58.187 -0.521 18793 4084 1 16 . 1 1 19 19 GLN CB C 19 27.334 27.334 28.603 -1.269 18793 4085 1 16 . 1 1 19 19 GLN H H 19 7.562 7.562 7.736 -0.174 18793 4086 1 16 . 1 1 20 20 LYS N N 20 116.732 116.732 117.210 -0.478 18793 4087 1 16 . 1 1 20 20 LYS C C 20 175.178 175.178 176.490 -1.312 18793 4088 1 16 . 1 1 20 20 LYS CA C 20 52.999 52.999 55.623 -2.624 18793 4089 1 16 . 1 1 20 20 LYS CB C 20 31.445 31.445 33.684 -2.239 18793 4090 1 16 . 1 1 20 20 LYS H H 20 7.114 7.114 7.748 -0.634 18793 4091 1 16 . 1 1 21 21 GLY N N 21 105.804 105.804 106.802 -0.998 18793 4092 1 16 . 1 1 21 21 GLY C C 21 173.652 173.652 173.490 0.162 18793 4093 1 16 . 1 1 21 21 GLY CA C 21 44.210 44.210 45.026 -0.816 18793 4094 1 16 . 1 1 21 21 GLY H H 21 7.451 7.451 7.699 -0.248 18793 4095 1 16 . 1 1 22 22 TYR N N 22 120.097 120.097 119.522 0.575 18793 4096 1 16 . 1 1 22 22 TYR C C 22 174.737 174.737 173.635 1.102 18793 4097 1 16 . 1 1 22 22 TYR CA C 22 54.666 54.666 57.432 -2.766 18793 4098 1 16 . 1 1 22 22 TYR CB C 22 39.667 39.667 42.409 -2.742 18793 4099 1 16 . 1 1 22 22 TYR H H 22 7.769 7.769 7.647 0.122 18793 4100 1 16 . 1 1 23 23 SER N N 23 115.275 115.275 114.533 0.742 18793 4101 1 16 . 1 1 23 23 SER C C 23 174.262 174.262 175.155 -0.893 18793 4102 1 16 . 1 1 23 23 SER CA C 23 55.888 55.888 57.182 -1.294 18793 4103 1 16 . 1 1 23 23 SER CB C 23 63.888 63.888 64.708 -0.820 18793 4104 1 16 . 1 1 23 23 SER H H 23 8.483 8.483 8.362 0.121 18793 4105 1 16 . 1 1 24 24 TRP N N 24 127.826 127.826 124.474 3.352 18793 4106 1 16 . 1 1 24 24 TRP C C 24 176.669 176.669 176.015 0.654 18793 4107 1 16 . 1 1 24 24 TRP CA C 24 59.385 59.385 59.101 0.284 18793 4108 1 16 . 1 1 24 24 TRP CB C 24 29.479 29.479 28.756 0.723 18793 4109 1 16 . 1 1 24 24 TRP H H 24 8.928 8.928 9.631 -0.703 18793 4110 1 16 . 1 1 25 25 SER N N 25 111.710 111.710 115.404 -3.694 18793 4111 1 16 . 1 1 25 25 SER C C 25 174.974 174.974 174.336 0.638 18793 4112 1 16 . 1 1 25 25 SER CA C 25 59.332 59.332 56.967 2.365 18793 4113 1 16 . 1 1 25 25 SER CB C 25 61.888 61.888 62.887 -0.999 18793 4114 1 16 . 1 1 25 25 SER H H 25 8.146 8.146 7.587 0.559 18793 4115 1 16 . 1 1 26 26 GLN N N 26 119.553 119.553 118.498 1.055 18793 4116 1 16 . 1 1 26 26 GLN C C 26 175.991 175.991 174.297 1.694 18793 4117 1 16 . 1 1 26 26 GLN CA C 26 56.332 56.332 57.211 -0.879 18793 4118 1 16 . 1 1 26 26 GLN CB C 26 27.112 27.112 27.112 0.000 18793 4119 1 16 . 1 1 26 26 GLN H H 26 7.319 7.319 7.826 -0.507 18793 4120 1 16 . 1 1 27 27 PHE N N 27 116.264 116.264 117.180 -0.916 18793 4121 1 16 . 1 1 27 27 PHE C C 27 174.635 174.635 174.324 0.311 18793 4122 1 16 . 1 1 27 27 PHE CA C 27 55.555 55.555 57.933 -2.378 18793 4123 1 16 . 1 1 27 27 PHE CB C 27 38.556 38.556 39.987 -1.431 18793 4124 1 16 . 1 1 27 27 PHE H H 27 7.109 7.109 8.207 -1.098 18793 4125 1 16 . 1 1 28 28 SER N N 28 114.011 114.011 115.858 -1.847 18793 4126 1 16 . 1 1 28 28 SER C C 28 173.313 173.313 174.129 -0.816 18793 4127 1 16 . 1 1 28 28 SER CA C 28 56.555 56.555 58.499 -1.944 18793 4128 1 16 . 1 1 28 28 SER CB C 28 62.665 62.665 63.523 -0.858 18793 4129 1 16 . 1 1 28 28 SER H H 28 7.058 7.058 8.328 -1.270 18793 4130 1 16 . 1 1 29 29 ASP N N 29 123.008 123.008 125.819 -2.811 18793 4131 1 16 . 1 1 29 29 ASP C C 29 175.991 175.991 175.741 0.250 18793 4132 1 16 . 1 1 29 29 ASP CA C 29 53.333 53.333 55.458 -2.125 18793 4133 1 16 . 1 1 29 29 ASP CB C 29 39.889 39.889 41.178 -1.289 18793 4134 1 16 . 1 1 29 29 ASP H H 29 8.220 8.220 9.116 -0.896 18793 4135 1 16 . 1 1 30 30 VAL N N 30 119.570 119.570 118.357 1.213 18793 4136 1 16 . 1 1 30 30 VAL C C 30 175.788 175.788 175.698 0.090 18793 4137 1 16 . 1 1 30 30 VAL CA C 30 61.332 61.332 63.213 -1.881 18793 4138 1 16 . 1 1 30 30 VAL CB C 30 31.889 31.889 31.075 0.814 18793 4139 1 16 . 1 1 30 30 VAL H H 30 7.823 7.823 7.978 -0.155 18793 4140 1 16 . 1 1 31 31 GLU N N 31 124.976 124.976 125.161 -0.185 18793 4141 1 16 . 1 1 31 31 GLU C C 31 176.229 176.229 175.674 0.555 18793 4142 1 16 . 1 1 31 31 GLU CA C 31 55.397 55.397 57.366 -1.969 18793 4143 1 16 . 1 1 31 31 GLU CB C 31 28.704 28.704 29.537 -0.833 18793 4144 1 16 . 1 1 31 31 GLU H H 31 8.390 8.390 8.703 -0.313 18793 4145 1 16 . 1 1 32 32 GLU N N 32 122.629 122.629 119.314 3.315 18793 4146 1 16 . 1 1 32 32 GLU C C 32 175.788 175.788 176.275 -0.487 18793 4147 1 16 . 1 1 32 32 GLU CA C 32 55.444 55.444 56.175 -0.731 18793 4148 1 16 . 1 1 32 32 GLU CB C 32 29.001 29.001 29.578 -0.577 18793 4149 1 16 . 1 1 32 32 GLU H H 32 8.307 8.307 8.717 -0.410 18793 4150 1 16 . 1 1 33 33 ASN N N 33 119.996 119.996 118.356 1.640 18793 4151 1 16 . 1 1 33 33 ASN C C 33 174.601 174.601 174.551 0.050 18793 4152 1 16 . 1 1 33 33 ASN CA C 33 52.555 52.555 52.972 -0.417 18793 4153 1 16 . 1 1 33 33 ASN CB C 33 37.778 37.778 38.044 -0.266 18793 4154 1 16 . 1 1 33 33 ASN H H 33 8.386 8.386 8.131 0.255 18793 4155 1 16 . 1 1 34 34 ARG N N 34 122.424 122.424 119.275 3.149 18793 4156 1 16 . 1 1 34 34 ARG C C 34 176.195 176.195 176.696 -0.501 18793 4157 1 16 . 1 1 34 34 ARG CA C 34 55.332 55.332 55.836 -0.504 18793 4158 1 16 . 1 1 34 34 ARG CB C 34 29.334 29.334 30.782 -1.448 18793 4159 1 16 . 1 1 34 34 ARG H H 34 8.211 8.211 7.458 0.753 18793 4160 1 16 . 1 1 35 35 THR N N 35 116.319 116.319 115.094 1.225 18793 4161 1 16 . 1 1 35 35 THR C C 35 174.093 174.093 175.431 -1.338 18793 4162 1 16 . 1 1 35 35 THR CA C 35 60.999 60.999 64.779 -3.780 18793 4163 1 16 . 1 1 35 35 THR CB C 35 68.887 68.887 69.225 -0.338 18793 4164 1 16 . 1 1 35 35 THR H H 35 8.143 8.143 8.528 -0.385 18793 4165 1 16 . 1 1 36 36 GLU N N 36 123.405 123.405 116.770 6.635 18793 4166 1 16 . 1 1 36 36 GLU C C 36 175.279 175.279 174.542 0.737 18793 4167 1 16 . 1 1 36 36 GLU CA C 36 55.397 55.397 56.693 -1.296 18793 4168 1 16 . 1 1 36 36 GLU CB C 36 28.815 28.815 30.488 -1.673 18793 4169 1 16 . 1 1 36 36 GLU H H 36 8.270 8.270 7.880 0.390 18793 4170 1 16 . 1 1 37 37 ALA N N 37 126.500 126.500 125.269 1.231 18793 4171 1 16 . 1 1 37 37 ALA C C 37 175.279 175.279 175.738 -0.459 18793 4172 1 16 . 1 1 37 37 ALA CA C 37 49.638 49.638 50.188 -0.550 18793 4173 1 16 . 1 1 37 37 ALA CB C 37 17.074 17.074 19.144 -2.070 18793 4174 1 16 . 1 1 37 37 ALA H H 37 8.170 8.170 8.009 0.161 18793 4175 1 16 . 1 1 39 39 GLU N N 39 121.397 121.397 120.516 0.881 18793 4176 1 16 . 1 1 39 39 GLU C C 39 176.771 176.771 178.139 -1.368 18793 4177 1 16 . 1 1 39 39 GLU CA C 39 55.999 55.999 56.717 -0.718 18793 4178 1 16 . 1 1 39 39 GLU CB C 39 29.001 29.001 30.332 -1.331 18793 4179 1 16 . 1 1 39 39 GLU H H 39 8.480 8.480 8.772 -0.292 18793 4180 1 16 . 1 1 40 40 GLY N N 40 110.587 110.587 106.606 3.981 18793 4181 1 16 . 1 1 40 40 GLY C C 40 174.330 174.330 175.056 -0.726 18793 4182 1 16 . 1 1 40 40 GLY CA C 40 44.555 44.555 45.564 -1.009 18793 4183 1 16 . 1 1 40 40 GLY H H 40 8.388 8.388 8.597 -0.209 18793 4184 1 16 . 1 1 41 41 THR N N 41 113.357 113.357 115.192 -1.835 18793 4185 1 16 . 1 1 41 41 THR C C 41 175.279 175.279 173.153 2.126 18793 4186 1 16 . 1 1 41 41 THR CA C 41 61.332 61.332 61.532 -0.201 18793 4187 1 16 . 1 1 41 41 THR CB C 41 68.887 68.887 69.708 -0.821 18793 4188 1 16 . 1 1 41 41 THR H H 41 8.072 8.072 7.824 0.248 18793 4189 1 16 . 1 1 42 42 GLU N N 42 123.483 123.483 120.022 3.461 18793 4190 1 16 . 1 1 42 42 GLU C C 42 177.076 177.076 176.257 0.819 18793 4191 1 16 . 1 1 42 42 GLU CA C 42 56.505 56.505 57.808 -1.303 18793 4192 1 16 . 1 1 42 42 GLU CB C 42 28.040 28.040 30.911 -2.871 18793 4193 1 16 . 1 1 42 42 GLU H H 42 8.741 8.741 8.293 0.448 18793 4194 1 16 . 1 1 43 43 SER N N 43 115.380 115.380 115.143 0.237 18793 4195 1 16 . 1 1 43 43 SER C C 43 175.483 175.483 174.681 0.802 18793 4196 1 16 . 1 1 43 43 SER CA C 43 57.999 57.999 59.110 -1.111 18793 4197 1 16 . 1 1 43 43 SER CB C 43 62.221 62.221 64.143 -1.922 18793 4198 1 16 . 1 1 43 43 SER H H 43 8.297 8.297 8.060 0.237 18793 4199 1 16 . 1 1 86 86 VAL N N 86 118.964 118.964 121.472 -2.508 18793 4200 1 16 . 1 1 86 86 VAL C C 86 176.466 176.466 176.595 -0.129 18793 4201 1 16 . 1 1 86 86 VAL CA C 86 64.999 64.999 65.265 -0.266 18793 4202 1 16 . 1 1 86 86 VAL CB C 86 30.112 30.112 32.133 -2.021 18793 4203 1 16 . 1 1 86 86 VAL H H 86 7.342 7.342 8.095 -0.753 18793 4204 1 16 . 1 1 87 87 LYS N N 87 118.061 118.061 119.265 -1.204 18793 4205 1 16 . 1 1 87 87 LYS C C 87 178.669 178.669 178.719 -0.050 18793 4206 1 16 . 1 1 87 87 LYS CA C 87 58.443 58.443 59.722 -1.279 18793 4207 1 16 . 1 1 87 87 LYS CB C 87 30.778 30.778 32.159 -1.381 18793 4208 1 16 . 1 1 87 87 LYS H H 87 7.312 7.312 7.947 -0.635 18793 4209 1 16 . 1 1 88 88 GLN N N 88 116.417 116.417 118.939 -2.522 18793 4210 1 16 . 1 1 88 88 GLN C C 88 177.212 177.212 177.940 -0.728 18793 4211 1 16 . 1 1 88 88 GLN CA C 88 57.888 57.888 58.169 -0.281 18793 4212 1 16 . 1 1 88 88 GLN CB C 88 26.890 26.890 28.377 -1.486 18793 4213 1 16 . 1 1 88 88 GLN H H 88 7.924 7.924 7.895 0.029 18793 4214 1 16 . 1 1 89 89 ALA N N 89 120.666 120.666 122.596 -1.930 18793 4215 1 16 . 1 1 89 89 ALA C C 89 179.076 179.076 179.524 -0.448 18793 4216 1 16 . 1 1 89 89 ALA CA C 89 53.999 53.999 54.709 -0.710 18793 4217 1 16 . 1 1 89 89 ALA CB C 89 17.113 17.113 17.927 -0.814 18793 4218 1 16 . 1 1 89 89 ALA H H 89 7.605 7.605 8.326 -0.721 18793 4219 1 16 . 1 1 90 90 LEU N N 90 119.883 119.883 119.840 0.043 18793 4220 1 16 . 1 1 90 90 LEU C C 90 179.178 179.178 179.130 0.048 18793 4221 1 16 . 1 1 90 90 LEU CA C 90 57.332 57.332 58.741 -1.409 18793 4222 1 16 . 1 1 90 90 LEU CB C 90 40.889 40.889 41.675 -0.786 18793 4223 1 16 . 1 1 90 90 LEU H H 90 8.283 8.283 8.023 0.260 18793 4224 1 16 . 1 1 91 91 ARG N N 91 118.692 118.692 118.063 0.629 18793 4225 1 16 . 1 1 91 91 ARG C C 91 178.432 178.432 178.525 -0.093 18793 4226 1 16 . 1 1 91 91 ARG CA C 91 59.666 59.666 59.527 0.139 18793 4227 1 16 . 1 1 91 91 ARG CB C 91 29.334 29.334 30.049 -0.715 18793 4228 1 16 . 1 1 91 91 ARG H H 91 8.011 8.011 7.532 0.479 18793 4229 1 16 . 1 1 92 92 GLU N N 92 116.799 116.799 119.341 -2.542 18793 4230 1 16 . 1 1 92 92 GLU C C 92 179.788 179.788 178.746 1.042 18793 4231 1 16 . 1 1 92 92 GLU CA C 92 58.110 58.110 58.850 -0.740 18793 4232 1 16 . 1 1 92 92 GLU CB C 92 27.890 27.890 29.005 -1.115 18793 4233 1 16 . 1 1 92 92 GLU H H 92 7.802 7.802 7.687 0.115 18793 4234 1 16 . 1 1 93 93 ALA N N 93 124.583 124.583 120.357 4.226 18793 4235 1 16 . 1 1 93 93 ALA C C 93 180.161 180.161 180.082 0.079 18793 4236 1 16 . 1 1 93 93 ALA CA C 93 54.290 54.290 54.443 -0.153 18793 4237 1 16 . 1 1 93 93 ALA CB C 93 18.071 18.071 18.675 -0.605 18793 4238 1 16 . 1 1 93 93 ALA H H 93 8.795 8.795 8.138 0.657 18793 4239 1 16 . 1 1 94 94 GLY N N 94 107.341 107.341 107.724 -0.383 18793 4240 1 16 . 1 1 94 94 GLY C C 94 175.673 175.673 175.019 0.654 18793 4241 1 16 . 1 1 94 94 GLY CA C 94 46.333 46.333 47.563 -1.230 18793 4242 1 16 . 1 1 94 94 GLY H H 94 8.949 8.949 8.093 0.856 18793 4243 1 16 . 1 1 95 95 ASP N N 95 122.494 122.494 118.623 3.871 18793 4244 1 16 . 1 1 95 95 ASP C C 95 175.822 175.822 176.195 -0.373 18793 4245 1 16 . 1 1 95 95 ASP CA C 95 62.448 62.448 54.403 8.045 18793 4246 1 16 . 1 1 95 95 ASP CB C 95 38.604 38.604 40.666 -2.062 18793 4247 1 16 . 1 1 95 95 ASP H H 95 8.129 8.129 7.753 0.376 18793 4248 1 16 . 1 1 96 96 GLU N N 96 123.198 123.198 119.363 3.835 18793 4249 1 16 . 1 1 96 96 GLU C C 96 177.367 177.367 176.734 0.633 18793 4250 1 16 . 1 1 96 96 GLU CA C 96 57.391 57.391 58.370 -0.979 18793 4251 1 16 . 1 1 96 96 GLU CB C 96 27.929 27.929 30.634 -2.704 18793 4252 1 16 . 1 1 96 96 GLU H H 96 8.691 8.691 8.158 0.533 18793 4253 1 16 . 1 1 97 97 PHE N N 97 113.232 113.232 116.302 -3.070 18793 4254 1 16 . 1 1 97 97 PHE C C 97 175.163 175.163 176.888 -1.725 18793 4255 1 16 . 1 1 97 97 PHE CA C 97 61.888 61.888 60.516 1.372 18793 4256 1 16 . 1 1 97 97 PHE H H 97 7.939 7.939 7.614 0.325 18793 4257 1 17 . 1 1 1 1 MET N N 1 120.233 120.233 124.375 -4.142 18793 4258 1 17 . 1 1 1 1 MET C C 1 176.466 176.466 176.135 0.331 18793 4259 1 17 . 1 1 1 1 MET CA C 1 54.999 54.999 54.894 0.105 18793 4260 1 17 . 1 1 1 1 MET CB C 1 31.334 31.334 30.802 0.532 18793 4261 1 17 . 1 1 1 1 MET H H 1 8.288 8.288 9.004 -0.716 18793 4262 1 17 . 1 1 2 2 SER N N 2 117.150 117.150 114.806 2.344 18793 4263 1 17 . 1 1 2 2 SER C C 2 175.585 175.585 175.057 0.528 18793 4264 1 17 . 1 1 2 2 SER CA C 2 58.221 58.221 58.123 0.098 18793 4265 1 17 . 1 1 2 2 SER CB C 2 62.221 62.221 63.301 -1.080 18793 4266 1 17 . 1 1 2 2 SER H H 2 8.191 8.191 7.785 0.406 18793 4267 1 17 . 1 1 3 3 GLN N N 3 122.952 122.952 121.916 1.036 18793 4268 1 17 . 1 1 3 3 GLN C C 3 176.703 176.703 177.985 -1.282 18793 4269 1 17 . 1 1 3 3 GLN CA C 3 55.888 55.888 59.331 -3.443 18793 4270 1 17 . 1 1 3 3 GLN CB C 3 27.445 27.445 28.659 -1.214 18793 4271 1 17 . 1 1 3 3 GLN H H 3 8.334 8.334 8.116 0.218 18793 4272 1 17 . 1 1 4 4 SER N N 4 117.024 117.024 113.363 3.661 18793 4273 1 17 . 1 1 4 4 SER C C 4 176.059 176.059 176.153 -0.094 18793 4274 1 17 . 1 1 4 4 SER CA C 4 59.443 59.443 60.870 -1.427 18793 4275 1 17 . 1 1 4 4 SER CB C 4 61.888 61.888 62.834 -0.946 18793 4276 1 17 . 1 1 4 4 SER H H 4 8.300 8.300 8.659 -0.359 18793 4277 1 17 . 1 1 5 5 ASN N N 5 122.025 122.025 118.864 3.161 18793 4278 1 17 . 1 1 5 5 ASN C C 5 177.049 177.049 177.525 -0.476 18793 4279 1 17 . 1 1 5 5 ASN CA C 5 55.110 55.110 55.954 -0.844 18793 4280 1 17 . 1 1 5 5 ASN CB C 5 37.454 37.454 38.094 -0.640 18793 4281 1 17 . 1 1 5 5 ASN H H 5 8.517 8.517 8.606 -0.089 18793 4282 1 17 . 1 1 6 6 ARG N N 6 119.117 119.117 121.457 -2.340 18793 4283 1 17 . 1 1 6 6 ARG C C 6 177.144 177.144 178.246 -1.102 18793 4284 1 17 . 1 1 6 6 ARG CA C 6 57.366 57.366 59.843 -2.477 18793 4285 1 17 . 1 1 6 6 ARG CB C 6 28.348 28.348 30.269 -1.921 18793 4286 1 17 . 1 1 6 6 ARG H H 6 8.194 8.194 7.767 0.427 18793 4287 1 17 . 1 1 7 7 GLU N N 7 117.987 117.987 119.077 -1.090 18793 4288 1 17 . 1 1 7 7 GLU C C 7 179.178 179.178 178.905 0.273 18793 4289 1 17 . 1 1 7 7 GLU CA C 7 58.332 58.332 58.981 -0.649 18793 4290 1 17 . 1 1 7 7 GLU CB C 7 28.112 28.112 29.429 -1.317 18793 4291 1 17 . 1 1 7 7 GLU H H 7 7.902 7.902 7.658 0.244 18793 4292 1 17 . 1 1 8 8 LEU N N 8 120.359 120.359 122.017 -1.658 18793 4293 1 17 . 1 1 8 8 LEU C C 8 178.161 178.161 178.200 -0.039 18793 4294 1 17 . 1 1 8 8 LEU CA C 8 56.999 56.999 58.557 -1.558 18793 4295 1 17 . 1 1 8 8 LEU CB C 8 40.222 40.222 42.151 -1.929 18793 4296 1 17 . 1 1 8 8 LEU H H 8 7.690 7.690 8.279 -0.589 18793 4297 1 17 . 1 1 9 9 VAL N N 9 117.926 117.926 115.696 2.230 18793 4298 1 17 . 1 1 9 9 VAL C C 9 176.839 176.839 177.802 -0.963 18793 4299 1 17 . 1 1 9 9 VAL CA C 9 66.554 66.554 65.721 0.833 18793 4300 1 17 . 1 1 9 9 VAL CB C 9 31.001 31.001 30.645 0.356 18793 4301 1 17 . 1 1 9 9 VAL H H 9 7.512 7.512 7.612 -0.100 18793 4302 1 17 . 1 1 10 10 VAL N N 10 117.730 117.730 122.330 -4.600 18793 4303 1 17 . 1 1 10 10 VAL C C 10 178.364 178.364 177.939 0.425 18793 4304 1 17 . 1 1 10 10 VAL CA C 10 65.999 65.999 67.074 -1.075 18793 4305 1 17 . 1 1 10 10 VAL CB C 10 30.112 30.112 31.192 -1.080 18793 4306 1 17 . 1 1 10 10 VAL H H 10 8.254 8.254 7.326 0.928 18793 4307 1 17 . 1 1 11 11 ASP N N 11 121.346 121.346 119.496 1.850 18793 4308 1 17 . 1 1 11 11 ASP C C 11 177.212 177.212 178.148 -0.936 18793 4309 1 17 . 1 1 11 11 ASP CA C 11 57.999 57.999 57.198 0.801 18793 4310 1 17 . 1 1 11 11 ASP CB C 11 42.111 42.111 41.186 0.925 18793 4311 1 17 . 1 1 11 11 ASP H H 11 8.029 8.029 8.512 -0.483 18793 4312 1 17 . 1 1 12 12 PHE N N 12 120.632 120.632 120.647 -0.015 18793 4313 1 17 . 1 1 12 12 PHE C C 12 177.890 177.890 177.906 -0.016 18793 4314 1 17 . 1 1 12 12 PHE CA C 12 62.110 62.110 62.191 -0.081 18793 4315 1 17 . 1 1 12 12 PHE CB C 12 38.778 38.778 39.288 -0.510 18793 4316 1 17 . 1 1 12 12 PHE H H 12 8.120 8.120 7.981 0.139 18793 4317 1 17 . 1 1 13 13 LEU N N 13 117.068 117.068 119.409 -2.341 18793 4318 1 17 . 1 1 13 13 LEU C C 13 179.280 179.280 179.060 0.220 18793 4319 1 17 . 1 1 13 13 LEU CA C 13 57.555 57.555 58.099 -0.544 18793 4320 1 17 . 1 1 13 13 LEU CB C 13 40.222 40.222 40.594 -0.373 18793 4321 1 17 . 1 1 13 13 LEU H H 13 8.770 8.770 8.974 -0.204 18793 4322 1 17 . 1 1 14 14 SER N N 14 114.398 114.398 115.352 -0.954 18793 4323 1 17 . 1 1 14 14 SER C C 14 176.941 176.941 176.695 0.246 18793 4324 1 17 . 1 1 14 14 SER CA C 14 61.777 61.777 61.742 0.035 18793 4325 1 17 . 1 1 14 14 SER CB C 14 60.824 60.824 63.100 -2.276 18793 4326 1 17 . 1 1 14 14 SER H H 14 8.407 8.407 7.886 0.521 18793 4327 1 17 . 1 1 15 15 TYR N N 15 125.435 125.435 122.966 2.469 18793 4328 1 17 . 1 1 15 15 TYR C C 15 177.991 177.991 177.640 0.351 18793 4329 1 17 . 1 1 15 15 TYR CA C 15 59.274 59.274 61.481 -2.207 18793 4330 1 17 . 1 1 15 15 TYR CB C 15 36.457 36.457 38.669 -2.212 18793 4331 1 17 . 1 1 15 15 TYR H H 15 8.129 8.129 8.100 0.029 18793 4332 1 17 . 1 1 16 16 LYS N N 16 120.549 120.549 119.215 1.334 18793 4333 1 17 . 1 1 16 16 LYS C C 16 180.127 180.127 179.632 0.495 18793 4334 1 17 . 1 1 16 16 LYS CA C 16 56.221 56.221 59.265 -3.044 18793 4335 1 17 . 1 1 16 16 LYS CB C 16 28.223 28.223 32.595 -4.372 18793 4336 1 17 . 1 1 16 16 LYS H H 16 8.150 8.150 8.221 -0.071 18793 4337 1 17 . 1 1 17 17 LEU N N 17 118.843 118.843 119.958 -1.115 18793 4338 1 17 . 1 1 17 17 LEU C C 17 179.653 179.653 178.953 0.700 18793 4339 1 17 . 1 1 17 17 LEU CA C 17 57.777 57.777 57.577 0.200 18793 4340 1 17 . 1 1 17 17 LEU CB C 17 39.667 39.667 41.709 -2.042 18793 4341 1 17 . 1 1 17 17 LEU H H 17 8.581 8.581 8.639 -0.058 18793 4342 1 17 . 1 1 18 18 SER N N 18 117.814 117.814 114.975 2.839 18793 4343 1 17 . 1 1 18 18 SER C C 18 178.297 178.297 176.064 2.233 18793 4344 1 17 . 1 1 18 18 SER CA C 18 60.492 60.492 61.460 -0.968 18793 4345 1 17 . 1 1 18 18 SER CB C 18 61.600 61.600 62.760 -1.160 18793 4346 1 17 . 1 1 18 18 SER H H 18 8.272 8.272 8.398 -0.126 18793 4347 1 17 . 1 1 19 19 GLN N N 19 123.182 123.182 119.943 3.239 18793 4348 1 17 . 1 1 19 19 GLN C C 19 176.941 176.941 177.634 -0.693 18793 4349 1 17 . 1 1 19 19 GLN CA C 19 57.666 57.666 58.195 -0.529 18793 4350 1 17 . 1 1 19 19 GLN CB C 19 27.334 27.334 28.815 -1.481 18793 4351 1 17 . 1 1 19 19 GLN H H 19 7.562 7.562 7.480 0.082 18793 4352 1 17 . 1 1 20 20 LYS N N 20 116.732 116.732 117.759 -1.027 18793 4353 1 17 . 1 1 20 20 LYS C C 20 175.178 175.178 176.896 -1.718 18793 4354 1 17 . 1 1 20 20 LYS CA C 20 52.999 52.999 56.599 -3.600 18793 4355 1 17 . 1 1 20 20 LYS CB C 20 31.445 31.445 34.026 -2.581 18793 4356 1 17 . 1 1 20 20 LYS H H 20 7.114 7.114 7.850 -0.736 18793 4357 1 17 . 1 1 21 21 GLY N N 21 105.804 105.804 105.341 0.463 18793 4358 1 17 . 1 1 21 21 GLY C C 21 173.652 173.652 173.315 0.337 18793 4359 1 17 . 1 1 21 21 GLY CA C 21 44.210 44.210 44.915 -0.705 18793 4360 1 17 . 1 1 21 21 GLY H H 21 7.451 7.451 7.777 -0.326 18793 4361 1 17 . 1 1 22 22 TYR N N 22 120.097 120.097 119.940 0.157 18793 4362 1 17 . 1 1 22 22 TYR C C 22 174.737 174.737 173.078 1.659 18793 4363 1 17 . 1 1 22 22 TYR CA C 22 54.666 54.666 57.556 -2.890 18793 4364 1 17 . 1 1 22 22 TYR CB C 22 39.667 39.667 42.322 -2.655 18793 4365 1 17 . 1 1 22 22 TYR H H 22 7.769 7.769 7.548 0.221 18793 4366 1 17 . 1 1 23 23 SER N N 23 115.275 115.275 115.512 -0.237 18793 4367 1 17 . 1 1 23 23 SER C C 23 174.262 174.262 174.697 -0.435 18793 4368 1 17 . 1 1 23 23 SER CA C 23 55.888 55.888 57.343 -1.455 18793 4369 1 17 . 1 1 23 23 SER CB C 23 63.888 63.888 65.159 -1.271 18793 4370 1 17 . 1 1 23 23 SER H H 23 8.483 8.483 8.555 -0.072 18793 4371 1 17 . 1 1 24 24 TRP N N 24 127.826 127.826 126.386 1.440 18793 4372 1 17 . 1 1 24 24 TRP C C 24 176.669 176.669 176.834 -0.165 18793 4373 1 17 . 1 1 24 24 TRP CA C 24 59.385 59.385 61.072 -1.687 18793 4374 1 17 . 1 1 24 24 TRP CB C 24 29.479 29.479 29.864 -0.385 18793 4375 1 17 . 1 1 24 24 TRP H H 24 8.928 8.928 9.255 -0.327 18793 4376 1 17 . 1 1 25 25 SER N N 25 111.710 111.710 112.138 -0.428 18793 4377 1 17 . 1 1 25 25 SER C C 25 174.974 174.974 174.735 0.239 18793 4378 1 17 . 1 1 25 25 SER CA C 25 59.332 59.332 59.252 0.080 18793 4379 1 17 . 1 1 25 25 SER CB C 25 61.888 61.888 63.414 -1.526 18793 4380 1 17 . 1 1 25 25 SER H H 25 8.146 8.146 8.372 -0.226 18793 4381 1 17 . 1 1 26 26 GLN N N 26 119.553 119.553 119.088 0.465 18793 4382 1 17 . 1 1 26 26 GLN C C 26 175.991 175.991 175.909 0.082 18793 4383 1 17 . 1 1 26 26 GLN CA C 26 56.332 56.332 56.553 -0.221 18793 4384 1 17 . 1 1 26 26 GLN CB C 26 27.112 27.112 27.212 -0.100 18793 4385 1 17 . 1 1 26 26 GLN H H 26 7.319 7.319 7.732 -0.413 18793 4386 1 17 . 1 1 27 27 PHE N N 27 116.264 116.264 117.829 -1.565 18793 4387 1 17 . 1 1 27 27 PHE C C 27 174.635 174.635 174.198 0.437 18793 4388 1 17 . 1 1 27 27 PHE CA C 27 55.555 55.555 59.523 -3.968 18793 4389 1 17 . 1 1 27 27 PHE CB C 27 38.556 38.556 38.324 0.232 18793 4390 1 17 . 1 1 27 27 PHE H H 27 7.109 7.109 8.206 -1.097 18793 4391 1 17 . 1 1 28 28 SER N N 28 114.011 114.011 114.629 -0.618 18793 4392 1 17 . 1 1 28 28 SER C C 28 173.313 173.313 172.869 0.444 18793 4393 1 17 . 1 1 28 28 SER CA C 28 56.555 56.555 57.504 -0.949 18793 4394 1 17 . 1 1 28 28 SER CB C 28 62.665 62.665 65.649 -2.984 18793 4395 1 17 . 1 1 28 28 SER H H 28 7.058 7.058 7.894 -0.836 18793 4396 1 17 . 1 1 29 29 ASP N N 29 123.008 123.008 121.401 1.607 18793 4397 1 17 . 1 1 29 29 ASP C C 29 175.991 175.991 175.244 0.747 18793 4398 1 17 . 1 1 29 29 ASP CA C 29 53.333 53.333 52.946 0.387 18793 4399 1 17 . 1 1 29 29 ASP CB C 29 39.889 39.889 40.466 -0.577 18793 4400 1 17 . 1 1 29 29 ASP H H 29 8.220 8.220 8.548 -0.328 18793 4401 1 17 . 1 1 30 30 VAL N N 30 119.570 119.570 117.771 1.799 18793 4402 1 17 . 1 1 30 30 VAL C C 30 175.788 175.788 174.978 0.810 18793 4403 1 17 . 1 1 30 30 VAL CA C 30 61.332 61.332 63.274 -1.942 18793 4404 1 17 . 1 1 30 30 VAL CB C 30 31.889 31.889 31.307 0.582 18793 4405 1 17 . 1 1 30 30 VAL H H 30 7.823 7.823 8.161 -0.338 18793 4406 1 17 . 1 1 31 31 GLU N N 31 124.976 124.976 121.731 3.245 18793 4407 1 17 . 1 1 31 31 GLU C C 31 176.229 176.229 176.402 -0.173 18793 4408 1 17 . 1 1 31 31 GLU CA C 31 55.397 55.397 55.616 -0.219 18793 4409 1 17 . 1 1 31 31 GLU CB C 31 28.704 28.704 29.950 -1.246 18793 4410 1 17 . 1 1 31 31 GLU H H 31 8.390 8.390 8.760 -0.370 18793 4411 1 17 . 1 1 32 32 GLU N N 32 122.629 122.629 119.549 3.080 18793 4412 1 17 . 1 1 32 32 GLU C C 32 175.788 175.788 176.960 -1.172 18793 4413 1 17 . 1 1 32 32 GLU CA C 32 55.444 55.444 58.867 -3.423 18793 4414 1 17 . 1 1 32 32 GLU CB C 32 29.001 29.001 29.673 -0.672 18793 4415 1 17 . 1 1 32 32 GLU H H 32 8.307 8.307 8.541 -0.234 18793 4416 1 17 . 1 1 33 33 ASN N N 33 119.996 119.996 113.566 6.430 18793 4417 1 17 . 1 1 33 33 ASN C C 33 174.601 174.601 175.030 -0.429 18793 4418 1 17 . 1 1 33 33 ASN CA C 33 52.555 52.555 53.626 -1.071 18793 4419 1 17 . 1 1 33 33 ASN CB C 33 37.778 37.778 40.166 -2.388 18793 4420 1 17 . 1 1 33 33 ASN H H 33 8.386 8.386 8.191 0.195 18793 4421 1 17 . 1 1 34 34 ARG N N 34 122.424 122.424 119.289 3.135 18793 4422 1 17 . 1 1 34 34 ARG C C 34 176.195 176.195 174.422 1.773 18793 4423 1 17 . 1 1 34 34 ARG CA C 34 55.332 55.332 56.380 -1.048 18793 4424 1 17 . 1 1 34 34 ARG CB C 34 29.334 29.334 31.578 -2.244 18793 4425 1 17 . 1 1 34 34 ARG H H 34 8.211 8.211 8.011 0.200 18793 4426 1 17 . 1 1 35 35 THR N N 35 116.319 116.319 113.190 3.129 18793 4427 1 17 . 1 1 35 35 THR C C 35 174.093 174.093 174.641 -0.548 18793 4428 1 17 . 1 1 35 35 THR CA C 35 60.999 60.999 62.380 -1.381 18793 4429 1 17 . 1 1 35 35 THR CB C 35 68.887 68.887 68.169 0.718 18793 4430 1 17 . 1 1 35 35 THR H H 35 8.143 8.143 7.886 0.257 18793 4431 1 17 . 1 1 36 36 GLU N N 36 123.405 123.405 122.958 0.447 18793 4432 1 17 . 1 1 36 36 GLU C C 36 175.279 175.279 176.908 -1.629 18793 4433 1 17 . 1 1 36 36 GLU CA C 36 55.397 55.397 58.174 -2.777 18793 4434 1 17 . 1 1 36 36 GLU CB C 36 28.815 28.815 29.922 -1.107 18793 4435 1 17 . 1 1 36 36 GLU H H 36 8.270 8.270 8.830 -0.560 18793 4436 1 17 . 1 1 37 37 ALA N N 37 126.500 126.500 122.514 3.986 18793 4437 1 17 . 1 1 37 37 ALA C C 37 175.279 175.279 176.618 -1.339 18793 4438 1 17 . 1 1 37 37 ALA CA C 37 49.638 49.638 50.937 -1.299 18793 4439 1 17 . 1 1 37 37 ALA CB C 37 17.074 17.074 18.739 -1.665 18793 4440 1 17 . 1 1 37 37 ALA H H 37 8.170 8.170 7.825 0.345 18793 4441 1 17 . 1 1 39 39 GLU N N 39 121.397 121.397 116.413 4.984 18793 4442 1 17 . 1 1 39 39 GLU C C 39 176.771 176.771 175.592 1.179 18793 4443 1 17 . 1 1 39 39 GLU CA C 39 55.999 55.999 56.562 -0.563 18793 4444 1 17 . 1 1 39 39 GLU CB C 39 29.001 29.001 28.994 0.007 18793 4445 1 17 . 1 1 39 39 GLU H H 39 8.480 8.480 8.312 0.168 18793 4446 1 17 . 1 1 40 40 GLY N N 40 110.587 110.587 106.749 3.838 18793 4447 1 17 . 1 1 40 40 GLY C C 40 174.330 174.330 173.695 0.635 18793 4448 1 17 . 1 1 40 40 GLY CA C 40 44.555 44.555 45.410 -0.855 18793 4449 1 17 . 1 1 40 40 GLY H H 40 8.388 8.388 8.052 0.336 18793 4450 1 17 . 1 1 41 41 THR N N 41 113.357 113.357 110.672 2.685 18793 4451 1 17 . 1 1 41 41 THR C C 41 175.279 175.279 173.920 1.359 18793 4452 1 17 . 1 1 41 41 THR CA C 41 61.332 61.332 61.919 -0.587 18793 4453 1 17 . 1 1 41 41 THR CB C 41 68.887 68.887 70.384 -1.497 18793 4454 1 17 . 1 1 41 41 THR H H 41 8.072 8.072 7.605 0.467 18793 4455 1 17 . 1 1 42 42 GLU N N 42 123.483 123.483 120.173 3.310 18793 4456 1 17 . 1 1 42 42 GLU C C 42 177.076 177.076 177.100 -0.024 18793 4457 1 17 . 1 1 42 42 GLU CA C 42 56.505 56.505 57.085 -0.580 18793 4458 1 17 . 1 1 42 42 GLU CB C 42 28.040 28.040 30.792 -2.752 18793 4459 1 17 . 1 1 42 42 GLU H H 42 8.741 8.741 8.225 0.516 18793 4460 1 17 . 1 1 43 43 SER N N 43 115.380 115.380 114.649 0.731 18793 4461 1 17 . 1 1 43 43 SER C C 43 175.483 175.483 174.564 0.919 18793 4462 1 17 . 1 1 43 43 SER CA C 43 57.999 57.999 59.662 -1.663 18793 4463 1 17 . 1 1 43 43 SER CB C 43 62.221 62.221 64.100 -1.879 18793 4464 1 17 . 1 1 43 43 SER H H 43 8.297 8.297 8.187 0.110 18793 4465 1 17 . 1 1 86 86 VAL N N 86 118.964 118.964 121.110 -2.146 18793 4466 1 17 . 1 1 86 86 VAL C C 86 176.466 176.466 176.818 -0.352 18793 4467 1 17 . 1 1 86 86 VAL CA C 86 64.999 64.999 64.998 0.001 18793 4468 1 17 . 1 1 86 86 VAL CB C 86 30.112 30.112 32.356 -2.244 18793 4469 1 17 . 1 1 86 86 VAL H H 86 7.342 7.342 8.192 -0.850 18793 4470 1 17 . 1 1 87 87 LYS N N 87 118.061 118.061 119.116 -1.055 18793 4471 1 17 . 1 1 87 87 LYS C C 87 178.669 178.669 179.247 -0.578 18793 4472 1 17 . 1 1 87 87 LYS CA C 87 58.443 58.443 59.776 -1.333 18793 4473 1 17 . 1 1 87 87 LYS CB C 87 30.778 30.778 32.028 -1.250 18793 4474 1 17 . 1 1 87 87 LYS H H 87 7.312 7.312 8.237 -0.925 18793 4475 1 17 . 1 1 88 88 GLN N N 88 116.417 116.417 119.132 -2.715 18793 4476 1 17 . 1 1 88 88 GLN C C 88 177.212 177.212 178.244 -1.032 18793 4477 1 17 . 1 1 88 88 GLN CA C 88 57.888 57.888 58.706 -0.818 18793 4478 1 17 . 1 1 88 88 GLN CB C 88 26.890 26.890 29.083 -2.193 18793 4479 1 17 . 1 1 88 88 GLN H H 88 7.924 7.924 8.090 -0.166 18793 4480 1 17 . 1 1 89 89 ALA N N 89 120.666 120.666 123.381 -2.715 18793 4481 1 17 . 1 1 89 89 ALA C C 89 179.076 179.076 179.455 -0.379 18793 4482 1 17 . 1 1 89 89 ALA CA C 89 53.999 53.999 55.002 -1.003 18793 4483 1 17 . 1 1 89 89 ALA CB C 89 17.113 17.113 18.758 -1.645 18793 4484 1 17 . 1 1 89 89 ALA H H 89 7.605 7.605 8.041 -0.436 18793 4485 1 17 . 1 1 90 90 LEU N N 90 119.883 119.883 119.641 0.242 18793 4486 1 17 . 1 1 90 90 LEU C C 90 179.178 179.178 178.538 0.640 18793 4487 1 17 . 1 1 90 90 LEU CA C 90 57.332 57.332 58.463 -1.131 18793 4488 1 17 . 1 1 90 90 LEU CB C 90 40.889 40.889 40.913 -0.023 18793 4489 1 17 . 1 1 90 90 LEU H H 90 8.283 8.283 8.442 -0.159 18793 4490 1 17 . 1 1 91 91 ARG N N 91 118.692 118.692 117.800 0.892 18793 4491 1 17 . 1 1 91 91 ARG C C 91 178.432 178.432 178.521 -0.089 18793 4492 1 17 . 1 1 91 91 ARG CA C 91 59.666 59.666 59.286 0.380 18793 4493 1 17 . 1 1 91 91 ARG CB C 91 29.334 29.334 30.050 -0.716 18793 4494 1 17 . 1 1 91 91 ARG H H 91 8.011 8.011 7.680 0.331 18793 4495 1 17 . 1 1 92 92 GLU N N 92 116.799 116.799 119.550 -2.751 18793 4496 1 17 . 1 1 92 92 GLU C C 92 179.788 179.788 178.666 1.122 18793 4497 1 17 . 1 1 92 92 GLU CA C 92 58.110 58.110 59.380 -1.270 18793 4498 1 17 . 1 1 92 92 GLU CB C 92 27.890 27.890 29.210 -1.320 18793 4499 1 17 . 1 1 92 92 GLU H H 92 7.802 7.802 7.682 0.120 18793 4500 1 17 . 1 1 93 93 ALA N N 93 124.583 124.583 119.441 5.142 18793 4501 1 17 . 1 1 93 93 ALA C C 93 180.161 180.161 179.641 0.520 18793 4502 1 17 . 1 1 93 93 ALA CA C 93 54.290 54.290 54.225 0.065 18793 4503 1 17 . 1 1 93 93 ALA CB C 93 18.071 18.071 18.706 -0.635 18793 4504 1 17 . 1 1 93 93 ALA H H 93 8.795 8.795 8.190 0.605 18793 4505 1 17 . 1 1 94 94 GLY N N 94 107.341 107.341 107.090 0.251 18793 4506 1 17 . 1 1 94 94 GLY C C 94 175.673 175.673 176.037 -0.364 18793 4507 1 17 . 1 1 94 94 GLY CA C 94 46.333 46.333 47.302 -0.969 18793 4508 1 17 . 1 1 94 94 GLY H H 94 8.949 8.949 7.927 1.022 18793 4509 1 17 . 1 1 95 95 ASP N N 95 122.494 122.494 117.541 4.953 18793 4510 1 17 . 1 1 95 95 ASP C C 95 175.822 175.822 176.966 -1.144 18793 4511 1 17 . 1 1 95 95 ASP CA C 95 62.448 62.448 54.947 7.501 18793 4512 1 17 . 1 1 95 95 ASP CB C 95 38.604 38.604 40.579 -1.975 18793 4513 1 17 . 1 1 95 95 ASP H H 95 8.129 8.129 8.084 0.045 18793 4514 1 17 . 1 1 96 96 GLU N N 96 123.198 123.198 117.568 5.630 18793 4515 1 17 . 1 1 96 96 GLU C C 96 177.367 177.367 176.568 0.799 18793 4516 1 17 . 1 1 96 96 GLU CA C 96 57.391 57.391 57.312 0.079 18793 4517 1 17 . 1 1 96 96 GLU CB C 96 27.929 27.929 30.006 -2.077 18793 4518 1 17 . 1 1 96 96 GLU H H 96 8.691 8.691 7.667 1.024 18793 4519 1 17 . 1 1 97 97 PHE N N 97 113.232 113.232 118.872 -5.640 18793 4520 1 17 . 1 1 97 97 PHE C C 97 175.163 175.163 177.051 -1.888 18793 4521 1 17 . 1 1 97 97 PHE CA C 97 61.888 61.888 61.019 0.869 18793 4522 1 17 . 1 1 97 97 PHE H H 97 7.939 7.939 7.905 0.034 18793 4523 1 18 . 1 1 1 1 MET N N 1 120.233 120.233 116.146 4.087 18793 4524 1 18 . 1 1 1 1 MET C C 1 176.466 176.466 173.921 2.545 18793 4525 1 18 . 1 1 1 1 MET CA C 1 54.999 54.999 55.940 -0.941 18793 4526 1 18 . 1 1 1 1 MET CB C 1 31.334 31.334 32.014 -0.680 18793 4527 1 18 . 1 1 1 1 MET H H 1 8.288 8.288 8.666 -0.378 18793 4528 1 18 . 1 1 2 2 SER N N 2 117.150 117.150 107.324 9.826 18793 4529 1 18 . 1 1 2 2 SER C C 2 175.585 175.585 175.130 0.455 18793 4530 1 18 . 1 1 2 2 SER CA C 2 58.221 58.221 58.123 0.098 18793 4531 1 18 . 1 1 2 2 SER CB C 2 62.221 62.221 63.288 -1.067 18793 4532 1 18 . 1 1 2 2 SER H H 2 8.191 8.191 7.880 0.311 18793 4533 1 18 . 1 1 3 3 GLN N N 3 122.952 122.952 121.169 1.783 18793 4534 1 18 . 1 1 3 3 GLN C C 3 176.703 176.703 177.008 -0.305 18793 4535 1 18 . 1 1 3 3 GLN CA C 3 55.888 55.888 58.524 -2.636 18793 4536 1 18 . 1 1 3 3 GLN CB C 3 27.445 27.445 28.166 -0.721 18793 4537 1 18 . 1 1 3 3 GLN H H 3 8.334 8.334 8.664 -0.330 18793 4538 1 18 . 1 1 4 4 SER N N 4 117.024 117.024 114.938 2.086 18793 4539 1 18 . 1 1 4 4 SER C C 4 176.059 176.059 176.433 -0.374 18793 4540 1 18 . 1 1 4 4 SER CA C 4 59.443 59.443 60.666 -1.223 18793 4541 1 18 . 1 1 4 4 SER CB C 4 61.888 61.888 63.296 -1.408 18793 4542 1 18 . 1 1 4 4 SER H H 4 8.300 8.300 8.251 0.049 18793 4543 1 18 . 1 1 5 5 ASN N N 5 122.025 122.025 121.188 0.837 18793 4544 1 18 . 1 1 5 5 ASN C C 5 177.049 177.049 177.042 0.007 18793 4545 1 18 . 1 1 5 5 ASN CA C 5 55.110 55.110 56.724 -1.614 18793 4546 1 18 . 1 1 5 5 ASN CB C 5 37.454 37.454 37.796 -0.342 18793 4547 1 18 . 1 1 5 5 ASN H H 5 8.517 8.517 8.457 0.060 18793 4548 1 18 . 1 1 6 6 ARG N N 6 119.117 119.117 120.963 -1.846 18793 4549 1 18 . 1 1 6 6 ARG C C 6 177.144 177.144 178.447 -1.303 18793 4550 1 18 . 1 1 6 6 ARG CA C 6 57.366 57.366 59.667 -2.301 18793 4551 1 18 . 1 1 6 6 ARG CB C 6 28.348 28.348 30.174 -1.826 18793 4552 1 18 . 1 1 6 6 ARG H H 6 8.194 8.194 7.644 0.550 18793 4553 1 18 . 1 1 7 7 GLU N N 7 117.987 117.987 119.864 -1.877 18793 4554 1 18 . 1 1 7 7 GLU C C 7 179.178 179.178 178.944 0.234 18793 4555 1 18 . 1 1 7 7 GLU CA C 7 58.332 58.332 59.170 -0.838 18793 4556 1 18 . 1 1 7 7 GLU CB C 7 28.112 28.112 29.291 -1.179 18793 4557 1 18 . 1 1 7 7 GLU H H 7 7.902 7.902 7.584 0.318 18793 4558 1 18 . 1 1 8 8 LEU N N 8 120.359 120.359 121.790 -1.431 18793 4559 1 18 . 1 1 8 8 LEU C C 8 178.161 178.161 178.839 -0.678 18793 4560 1 18 . 1 1 8 8 LEU CA C 8 56.999 56.999 57.952 -0.953 18793 4561 1 18 . 1 1 8 8 LEU CB C 8 40.222 40.222 42.373 -2.151 18793 4562 1 18 . 1 1 8 8 LEU H H 8 7.690 7.690 8.496 -0.806 18793 4563 1 18 . 1 1 9 9 VAL N N 9 117.926 117.926 118.503 -0.577 18793 4564 1 18 . 1 1 9 9 VAL C C 9 176.839 176.839 178.567 -1.728 18793 4565 1 18 . 1 1 9 9 VAL CA C 9 66.554 66.554 66.508 0.046 18793 4566 1 18 . 1 1 9 9 VAL CB C 9 31.001 31.001 31.099 -0.099 18793 4567 1 18 . 1 1 9 9 VAL H H 9 7.512 7.512 7.635 -0.123 18793 4568 1 18 . 1 1 10 10 VAL N N 10 117.730 117.730 121.634 -3.904 18793 4569 1 18 . 1 1 10 10 VAL C C 10 178.364 178.364 177.981 0.383 18793 4570 1 18 . 1 1 10 10 VAL CA C 10 65.999 65.999 67.357 -1.358 18793 4571 1 18 . 1 1 10 10 VAL CB C 10 30.112 30.112 31.058 -0.946 18793 4572 1 18 . 1 1 10 10 VAL H H 10 8.254 8.254 8.039 0.215 18793 4573 1 18 . 1 1 11 11 ASP N N 11 121.346 121.346 120.262 1.084 18793 4574 1 18 . 1 1 11 11 ASP C C 11 177.212 177.212 178.171 -0.959 18793 4575 1 18 . 1 1 11 11 ASP CA C 11 57.999 57.999 57.361 0.638 18793 4576 1 18 . 1 1 11 11 ASP CB C 11 42.111 42.111 40.696 1.415 18793 4577 1 18 . 1 1 11 11 ASP H H 11 8.029 8.029 8.628 -0.599 18793 4578 1 18 . 1 1 12 12 PHE N N 12 120.632 120.632 119.530 1.102 18793 4579 1 18 . 1 1 12 12 PHE C C 12 177.890 177.890 177.418 0.472 18793 4580 1 18 . 1 1 12 12 PHE CA C 12 62.110 62.110 61.373 0.737 18793 4581 1 18 . 1 1 12 12 PHE CB C 12 38.778 38.778 38.928 -0.150 18793 4582 1 18 . 1 1 12 12 PHE H H 12 8.120 8.120 7.825 0.295 18793 4583 1 18 . 1 1 13 13 LEU N N 13 117.068 117.068 120.207 -3.139 18793 4584 1 18 . 1 1 13 13 LEU C C 13 179.280 179.280 179.117 0.163 18793 4585 1 18 . 1 1 13 13 LEU CA C 13 57.555 57.555 58.377 -0.822 18793 4586 1 18 . 1 1 13 13 LEU CB C 13 40.222 40.222 40.940 -0.718 18793 4587 1 18 . 1 1 13 13 LEU H H 13 8.770 8.770 8.695 0.075 18793 4588 1 18 . 1 1 14 14 SER N N 14 114.398 114.398 114.473 -0.075 18793 4589 1 18 . 1 1 14 14 SER C C 14 176.941 176.941 176.697 0.244 18793 4590 1 18 . 1 1 14 14 SER CA C 14 61.777 61.777 61.650 0.127 18793 4591 1 18 . 1 1 14 14 SER CB C 14 60.824 60.824 63.106 -2.282 18793 4592 1 18 . 1 1 14 14 SER H H 14 8.407 8.407 8.238 0.169 18793 4593 1 18 . 1 1 15 15 TYR N N 15 125.435 125.435 121.229 4.206 18793 4594 1 18 . 1 1 15 15 TYR C C 15 177.991 177.991 177.675 0.316 18793 4595 1 18 . 1 1 15 15 TYR CA C 15 59.274 59.274 60.248 -0.974 18793 4596 1 18 . 1 1 15 15 TYR CB C 15 36.457 36.457 38.150 -1.693 18793 4597 1 18 . 1 1 15 15 TYR H H 15 8.129 8.129 7.310 0.819 18793 4598 1 18 . 1 1 16 16 LYS N N 16 120.549 120.549 120.252 0.297 18793 4599 1 18 . 1 1 16 16 LYS C C 16 180.127 180.127 179.878 0.249 18793 4600 1 18 . 1 1 16 16 LYS CA C 16 56.221 56.221 59.504 -3.283 18793 4601 1 18 . 1 1 16 16 LYS CB C 16 28.223 28.223 32.361 -4.138 18793 4602 1 18 . 1 1 16 16 LYS H H 16 8.150 8.150 8.095 0.055 18793 4603 1 18 . 1 1 17 17 LEU N N 17 118.843 118.843 119.765 -0.922 18793 4604 1 18 . 1 1 17 17 LEU C C 17 179.653 179.653 178.524 1.129 18793 4605 1 18 . 1 1 17 17 LEU CA C 17 57.777 57.777 57.236 0.541 18793 4606 1 18 . 1 1 17 17 LEU CB C 17 39.667 39.667 42.028 -2.361 18793 4607 1 18 . 1 1 17 17 LEU H H 17 8.581 8.581 8.606 -0.025 18793 4608 1 18 . 1 1 18 18 SER N N 18 117.814 117.814 114.238 3.576 18793 4609 1 18 . 1 1 18 18 SER C C 18 178.297 178.297 176.053 2.244 18793 4610 1 18 . 1 1 18 18 SER CA C 18 60.492 60.492 61.549 -1.057 18793 4611 1 18 . 1 1 18 18 SER CB C 18 61.600 61.600 63.167 -1.567 18793 4612 1 18 . 1 1 18 18 SER H H 18 8.272 8.272 8.231 0.041 18793 4613 1 18 . 1 1 19 19 GLN N N 19 123.182 123.182 120.075 3.107 18793 4614 1 18 . 1 1 19 19 GLN C C 19 176.941 176.941 177.326 -0.385 18793 4615 1 18 . 1 1 19 19 GLN CA C 19 57.666 57.666 58.201 -0.535 18793 4616 1 18 . 1 1 19 19 GLN CB C 19 27.334 27.334 28.732 -1.397 18793 4617 1 18 . 1 1 19 19 GLN H H 19 7.562 7.562 7.753 -0.191 18793 4618 1 18 . 1 1 20 20 LYS N N 20 116.732 116.732 115.888 0.844 18793 4619 1 18 . 1 1 20 20 LYS C C 20 175.178 175.178 176.483 -1.305 18793 4620 1 18 . 1 1 20 20 LYS CA C 20 52.999 52.999 56.381 -3.382 18793 4621 1 18 . 1 1 20 20 LYS CB C 20 31.445 31.445 34.605 -3.160 18793 4622 1 18 . 1 1 20 20 LYS H H 20 7.114 7.114 7.884 -0.770 18793 4623 1 18 . 1 1 21 21 GLY N N 21 105.804 105.804 108.286 -2.482 18793 4624 1 18 . 1 1 21 21 GLY C C 21 173.652 173.652 173.006 0.646 18793 4625 1 18 . 1 1 21 21 GLY CA C 21 44.210 44.210 45.060 -0.850 18793 4626 1 18 . 1 1 21 21 GLY H H 21 7.451 7.451 7.877 -0.426 18793 4627 1 18 . 1 1 22 22 TYR N N 22 120.097 120.097 118.656 1.441 18793 4628 1 18 . 1 1 22 22 TYR C C 22 174.737 174.737 174.287 0.450 18793 4629 1 18 . 1 1 22 22 TYR CA C 22 54.666 54.666 57.329 -2.663 18793 4630 1 18 . 1 1 22 22 TYR CB C 22 39.667 39.667 43.136 -3.469 18793 4631 1 18 . 1 1 22 22 TYR H H 22 7.769 7.769 8.176 -0.407 18793 4632 1 18 . 1 1 23 23 SER N N 23 115.275 115.275 114.397 0.878 18793 4633 1 18 . 1 1 23 23 SER C C 23 174.262 174.262 173.263 0.999 18793 4634 1 18 . 1 1 23 23 SER CA C 23 55.888 55.888 56.282 -0.395 18793 4635 1 18 . 1 1 23 23 SER CB C 23 63.888 63.888 65.718 -1.830 18793 4636 1 18 . 1 1 23 23 SER H H 23 8.483 8.483 8.485 -0.002 18793 4637 1 18 . 1 1 24 24 TRP N N 24 127.826 127.826 124.232 3.594 18793 4638 1 18 . 1 1 24 24 TRP C C 24 176.669 176.669 176.017 0.652 18793 4639 1 18 . 1 1 24 24 TRP CA C 24 59.385 59.385 60.623 -1.238 18793 4640 1 18 . 1 1 24 24 TRP CB C 24 29.479 29.479 29.886 -0.407 18793 4641 1 18 . 1 1 24 24 TRP H H 24 8.928 8.928 9.091 -0.163 18793 4642 1 18 . 1 1 25 25 SER N N 25 111.710 111.710 110.966 0.744 18793 4643 1 18 . 1 1 25 25 SER C C 25 174.974 174.974 174.169 0.805 18793 4644 1 18 . 1 1 25 25 SER CA C 25 59.332 59.332 60.024 -0.692 18793 4645 1 18 . 1 1 25 25 SER CB C 25 61.888 61.888 63.805 -1.917 18793 4646 1 18 . 1 1 25 25 SER H H 25 8.146 8.146 8.202 -0.056 18793 4647 1 18 . 1 1 26 26 GLN N N 26 119.553 119.553 114.036 5.517 18793 4648 1 18 . 1 1 26 26 GLN C C 26 175.991 175.991 175.188 0.803 18793 4649 1 18 . 1 1 26 26 GLN CA C 26 56.332 56.332 56.298 0.034 18793 4650 1 18 . 1 1 26 26 GLN CB C 26 27.112 27.112 30.175 -3.063 18793 4651 1 18 . 1 1 26 26 GLN H H 26 7.319 7.319 7.946 -0.627 18793 4652 1 18 . 1 1 27 27 PHE N N 27 116.264 116.264 118.129 -1.865 18793 4653 1 18 . 1 1 27 27 PHE C C 27 174.635 174.635 173.987 0.648 18793 4654 1 18 . 1 1 27 27 PHE CA C 27 55.555 55.555 57.618 -2.063 18793 4655 1 18 . 1 1 27 27 PHE CB C 27 38.556 38.556 40.304 -1.748 18793 4656 1 18 . 1 1 27 27 PHE H H 27 7.109 7.109 8.163 -1.054 18793 4657 1 18 . 1 1 28 28 SER N N 28 114.011 114.011 117.000 -2.989 18793 4658 1 18 . 1 1 28 28 SER C C 28 173.313 173.313 172.758 0.555 18793 4659 1 18 . 1 1 28 28 SER CA C 28 56.555 56.555 58.321 -1.766 18793 4660 1 18 . 1 1 28 28 SER CB C 28 62.665 62.665 64.875 -2.210 18793 4661 1 18 . 1 1 28 28 SER H H 28 7.058 7.058 7.957 -0.899 18793 4662 1 18 . 1 1 29 29 ASP N N 29 123.008 123.008 118.348 4.660 18793 4663 1 18 . 1 1 29 29 ASP C C 29 175.991 175.991 176.033 -0.042 18793 4664 1 18 . 1 1 29 29 ASP CA C 29 53.333 53.333 53.608 -0.275 18793 4665 1 18 . 1 1 29 29 ASP CB C 29 39.889 39.889 40.319 -0.430 18793 4666 1 18 . 1 1 29 29 ASP H H 29 8.220 8.220 8.362 -0.142 18793 4667 1 18 . 1 1 30 30 VAL N N 30 119.570 119.570 121.110 -1.540 18793 4668 1 18 . 1 1 30 30 VAL C C 30 175.788 175.788 176.329 -0.541 18793 4669 1 18 . 1 1 30 30 VAL CA C 30 61.332 61.332 64.891 -3.559 18793 4670 1 18 . 1 1 30 30 VAL CB C 30 31.889 31.889 32.298 -0.409 18793 4671 1 18 . 1 1 30 30 VAL H H 30 7.823 7.823 8.302 -0.479 18793 4672 1 18 . 1 1 31 31 GLU N N 31 124.976 124.976 115.902 9.074 18793 4673 1 18 . 1 1 31 31 GLU C C 31 176.229 176.229 175.021 1.208 18793 4674 1 18 . 1 1 31 31 GLU CA C 31 55.397 55.397 56.919 -1.522 18793 4675 1 18 . 1 1 31 31 GLU CB C 31 28.704 28.704 27.349 1.355 18793 4676 1 18 . 1 1 31 31 GLU H H 31 8.390 8.390 8.548 -0.158 18793 4677 1 18 . 1 1 32 32 GLU N N 32 122.629 122.629 111.478 11.151 18793 4678 1 18 . 1 1 32 32 GLU C C 32 175.788 175.788 174.876 0.912 18793 4679 1 18 . 1 1 32 32 GLU CA C 32 55.444 55.444 57.623 -2.179 18793 4680 1 18 . 1 1 32 32 GLU CB C 32 29.001 29.001 28.554 0.447 18793 4681 1 18 . 1 1 32 32 GLU H H 32 8.307 8.307 8.718 -0.411 18793 4682 1 18 . 1 1 33 33 ASN N N 33 119.996 119.996 116.239 3.757 18793 4683 1 18 . 1 1 33 33 ASN C C 33 174.601 174.601 174.387 0.214 18793 4684 1 18 . 1 1 33 33 ASN CA C 33 52.555 52.555 51.945 0.610 18793 4685 1 18 . 1 1 33 33 ASN CB C 33 37.778 37.778 38.200 -0.422 18793 4686 1 18 . 1 1 33 33 ASN H H 33 8.386 8.386 7.960 0.426 18793 4687 1 18 . 1 1 34 34 ARG N N 34 122.424 122.424 120.256 2.168 18793 4688 1 18 . 1 1 34 34 ARG C C 34 176.195 176.195 177.104 -0.909 18793 4689 1 18 . 1 1 34 34 ARG CA C 34 55.332 55.332 57.231 -1.899 18793 4690 1 18 . 1 1 34 34 ARG CB C 34 29.334 29.334 31.587 -2.253 18793 4691 1 18 . 1 1 34 34 ARG H H 34 8.211 8.211 7.468 0.743 18793 4692 1 18 . 1 1 35 35 THR N N 35 116.319 116.319 116.571 -0.252 18793 4693 1 18 . 1 1 35 35 THR C C 35 174.093 174.093 174.213 -0.120 18793 4694 1 18 . 1 1 35 35 THR CA C 35 60.999 60.999 62.198 -1.199 18793 4695 1 18 . 1 1 35 35 THR CB C 35 68.887 68.887 69.530 -0.643 18793 4696 1 18 . 1 1 35 35 THR H H 35 8.143 8.143 8.239 -0.096 18793 4697 1 18 . 1 1 36 36 GLU N N 36 123.405 123.405 120.024 3.381 18793 4698 1 18 . 1 1 36 36 GLU C C 36 175.279 175.279 174.859 0.420 18793 4699 1 18 . 1 1 36 36 GLU CA C 36 55.397 55.397 56.356 -0.959 18793 4700 1 18 . 1 1 36 36 GLU CB C 36 28.815 28.815 29.968 -1.153 18793 4701 1 18 . 1 1 36 36 GLU H H 36 8.270 8.270 8.094 0.176 18793 4702 1 18 . 1 1 37 37 ALA N N 37 126.500 126.500 123.891 2.609 18793 4703 1 18 . 1 1 37 37 ALA C C 37 175.279 175.279 176.294 -1.015 18793 4704 1 18 . 1 1 37 37 ALA CA C 37 49.638 49.638 51.437 -1.799 18793 4705 1 18 . 1 1 37 37 ALA CB C 37 17.074 17.074 18.834 -1.760 18793 4706 1 18 . 1 1 37 37 ALA H H 37 8.170 8.170 7.912 0.258 18793 4707 1 18 . 1 1 39 39 GLU N N 39 121.397 121.397 124.899 -3.502 18793 4708 1 18 . 1 1 39 39 GLU C C 39 176.771 176.771 177.436 -0.665 18793 4709 1 18 . 1 1 39 39 GLU CA C 39 55.999 55.999 57.895 -1.896 18793 4710 1 18 . 1 1 39 39 GLU CB C 39 29.001 29.001 29.971 -0.970 18793 4711 1 18 . 1 1 39 39 GLU H H 39 8.480 8.480 8.764 -0.284 18793 4712 1 18 . 1 1 40 40 GLY N N 40 110.587 110.587 105.215 5.372 18793 4713 1 18 . 1 1 40 40 GLY C C 40 174.330 174.330 174.323 0.007 18793 4714 1 18 . 1 1 40 40 GLY CA C 40 44.555 44.555 45.783 -1.228 18793 4715 1 18 . 1 1 40 40 GLY H H 40 8.388 8.388 8.460 -0.072 18793 4716 1 18 . 1 1 41 41 THR N N 41 113.357 113.357 109.644 3.713 18793 4717 1 18 . 1 1 41 41 THR C C 41 175.279 175.279 173.469 1.810 18793 4718 1 18 . 1 1 41 41 THR CA C 41 61.332 61.332 61.690 -0.357 18793 4719 1 18 . 1 1 41 41 THR CB C 41 68.887 68.887 69.921 -1.034 18793 4720 1 18 . 1 1 41 41 THR H H 41 8.072 8.072 7.850 0.222 18793 4721 1 18 . 1 1 42 42 GLU N N 42 123.483 123.483 119.554 3.929 18793 4722 1 18 . 1 1 42 42 GLU C C 42 177.076 177.076 176.933 0.143 18793 4723 1 18 . 1 1 42 42 GLU CA C 42 56.505 56.505 57.532 -1.027 18793 4724 1 18 . 1 1 42 42 GLU CB C 42 28.040 28.040 31.285 -3.245 18793 4725 1 18 . 1 1 42 42 GLU H H 42 8.741 8.741 8.232 0.509 18793 4726 1 18 . 1 1 43 43 SER N N 43 115.380 115.380 114.777 0.603 18793 4727 1 18 . 1 1 43 43 SER C C 43 175.483 175.483 174.496 0.987 18793 4728 1 18 . 1 1 43 43 SER CA C 43 57.999 57.999 59.969 -1.970 18793 4729 1 18 . 1 1 43 43 SER CB C 43 62.221 62.221 64.276 -2.055 18793 4730 1 18 . 1 1 43 43 SER H H 43 8.297 8.297 8.513 -0.216 18793 4731 1 18 . 1 1 86 86 VAL N N 86 118.964 118.964 121.547 -2.583 18793 4732 1 18 . 1 1 86 86 VAL C C 86 176.466 176.466 176.489 -0.023 18793 4733 1 18 . 1 1 86 86 VAL CA C 86 64.999 64.999 65.434 -0.435 18793 4734 1 18 . 1 1 86 86 VAL CB C 86 30.112 30.112 32.273 -2.162 18793 4735 1 18 . 1 1 86 86 VAL H H 86 7.342 7.342 8.273 -0.931 18793 4736 1 18 . 1 1 87 87 LYS N N 87 118.061 118.061 117.691 0.370 18793 4737 1 18 . 1 1 87 87 LYS C C 87 178.669 178.669 178.787 -0.118 18793 4738 1 18 . 1 1 87 87 LYS CA C 87 58.443 58.443 59.154 -0.711 18793 4739 1 18 . 1 1 87 87 LYS CB C 87 30.778 30.778 32.068 -1.290 18793 4740 1 18 . 1 1 87 87 LYS H H 87 7.312 7.312 8.048 -0.736 18793 4741 1 18 . 1 1 88 88 GLN N N 88 116.417 116.417 119.713 -3.296 18793 4742 1 18 . 1 1 88 88 GLN C C 88 177.212 177.212 177.848 -0.636 18793 4743 1 18 . 1 1 88 88 GLN CA C 88 57.888 57.888 57.925 -0.037 18793 4744 1 18 . 1 1 88 88 GLN CB C 88 26.890 26.890 28.513 -1.623 18793 4745 1 18 . 1 1 88 88 GLN H H 88 7.924 7.924 7.633 0.291 18793 4746 1 18 . 1 1 89 89 ALA N N 89 120.666 120.666 123.096 -2.430 18793 4747 1 18 . 1 1 89 89 ALA C C 89 179.076 179.076 179.607 -0.531 18793 4748 1 18 . 1 1 89 89 ALA CA C 89 53.999 53.999 54.830 -0.831 18793 4749 1 18 . 1 1 89 89 ALA CB C 89 17.113 17.113 17.878 -0.765 18793 4750 1 18 . 1 1 89 89 ALA H H 89 7.605 7.605 8.227 -0.622 18793 4751 1 18 . 1 1 90 90 LEU N N 90 119.883 119.883 117.333 2.550 18793 4752 1 18 . 1 1 90 90 LEU C C 90 179.178 179.178 178.878 0.300 18793 4753 1 18 . 1 1 90 90 LEU CA C 90 57.332 57.332 57.470 -0.138 18793 4754 1 18 . 1 1 90 90 LEU CB C 90 40.889 40.889 41.462 -0.573 18793 4755 1 18 . 1 1 90 90 LEU H H 90 8.283 8.283 7.720 0.563 18793 4756 1 18 . 1 1 91 91 ARG N N 91 118.692 118.692 119.240 -0.548 18793 4757 1 18 . 1 1 91 91 ARG C C 91 178.432 178.432 178.698 -0.266 18793 4758 1 18 . 1 1 91 91 ARG CA C 91 59.666 59.666 59.193 0.473 18793 4759 1 18 . 1 1 91 91 ARG CB C 91 29.334 29.334 29.770 -0.436 18793 4760 1 18 . 1 1 91 91 ARG H H 91 8.011 8.011 7.800 0.211 18793 4761 1 18 . 1 1 92 92 GLU N N 92 116.799 116.799 119.446 -2.647 18793 4762 1 18 . 1 1 92 92 GLU C C 92 179.788 179.788 179.193 0.595 18793 4763 1 18 . 1 1 92 92 GLU CA C 92 58.110 58.110 59.337 -1.227 18793 4764 1 18 . 1 1 92 92 GLU CB C 92 27.890 27.890 29.880 -1.990 18793 4765 1 18 . 1 1 92 92 GLU H H 92 7.802 7.802 8.393 -0.591 18793 4766 1 18 . 1 1 93 93 ALA N N 93 124.583 124.583 120.744 3.839 18793 4767 1 18 . 1 1 93 93 ALA C C 93 180.161 180.161 180.351 -0.190 18793 4768 1 18 . 1 1 93 93 ALA CA C 93 54.290 54.290 54.270 0.020 18793 4769 1 18 . 1 1 93 93 ALA CB C 93 18.071 18.071 18.525 -0.454 18793 4770 1 18 . 1 1 93 93 ALA H H 93 8.795 8.795 8.543 0.252 18793 4771 1 18 . 1 1 94 94 GLY N N 94 107.341 107.341 107.271 0.070 18793 4772 1 18 . 1 1 94 94 GLY C C 94 175.673 175.673 175.122 0.551 18793 4773 1 18 . 1 1 94 94 GLY CA C 94 46.333 46.333 47.352 -1.019 18793 4774 1 18 . 1 1 94 94 GLY H H 94 8.949 8.949 8.673 0.276 18793 4775 1 18 . 1 1 95 95 ASP N N 95 122.494 122.494 118.097 4.397 18793 4776 1 18 . 1 1 95 95 ASP C C 95 175.822 175.822 176.152 -0.330 18793 4777 1 18 . 1 1 95 95 ASP CA C 95 62.448 62.448 53.602 8.846 18793 4778 1 18 . 1 1 95 95 ASP CB C 95 38.604 38.604 41.104 -2.500 18793 4779 1 18 . 1 1 95 95 ASP H H 95 8.129 8.129 7.783 0.346 18793 4780 1 18 . 1 1 96 96 GLU N N 96 123.198 123.198 122.757 0.441 18793 4781 1 18 . 1 1 96 96 GLU C C 96 177.367 177.367 177.986 -0.619 18793 4782 1 18 . 1 1 96 96 GLU CA C 96 57.391 57.391 58.802 -1.411 18793 4783 1 18 . 1 1 96 96 GLU CB C 96 27.929 27.929 29.511 -1.582 18793 4784 1 18 . 1 1 96 96 GLU H H 96 8.691 8.691 8.080 0.611 18793 4785 1 18 . 1 1 97 97 PHE N N 97 113.232 113.232 118.161 -4.929 18793 4786 1 18 . 1 1 97 97 PHE C C 97 175.163 175.163 177.957 -2.794 18793 4787 1 18 . 1 1 97 97 PHE CA C 97 61.888 61.888 61.247 0.641 18793 4788 1 18 . 1 1 97 97 PHE H H 97 7.939 7.939 7.875 0.064 18793 4789 1 19 . 1 1 1 1 MET N N 1 120.233 120.233 119.162 1.071 18793 4790 1 19 . 1 1 1 1 MET C C 1 176.466 176.466 176.359 0.107 18793 4791 1 19 . 1 1 1 1 MET CA C 1 54.999 54.999 56.169 -1.171 18793 4792 1 19 . 1 1 1 1 MET CB C 1 31.334 31.334 33.050 -1.716 18793 4793 1 19 . 1 1 1 1 MET H H 1 8.288 8.288 7.824 0.464 18793 4794 1 19 . 1 1 2 2 SER N N 2 117.150 117.150 112.751 4.399 18793 4795 1 19 . 1 1 2 2 SER C C 2 175.585 175.585 174.694 0.891 18793 4796 1 19 . 1 1 2 2 SER CA C 2 58.221 58.221 58.249 -0.028 18793 4797 1 19 . 1 1 2 2 SER CB C 2 62.221 62.221 62.505 -0.284 18793 4798 1 19 . 1 1 2 2 SER H H 2 8.191 8.191 8.616 -0.425 18793 4799 1 19 . 1 1 3 3 GLN N N 3 122.952 122.952 121.844 1.108 18793 4800 1 19 . 1 1 3 3 GLN C C 3 176.703 176.703 177.730 -1.027 18793 4801 1 19 . 1 1 3 3 GLN CA C 3 55.888 55.888 58.793 -2.905 18793 4802 1 19 . 1 1 3 3 GLN CB C 3 27.445 27.445 28.738 -1.293 18793 4803 1 19 . 1 1 3 3 GLN H H 3 8.334 8.334 8.636 -0.302 18793 4804 1 19 . 1 1 4 4 SER N N 4 117.024 117.024 113.910 3.114 18793 4805 1 19 . 1 1 4 4 SER C C 4 176.059 176.059 176.350 -0.291 18793 4806 1 19 . 1 1 4 4 SER CA C 4 59.443 59.443 60.522 -1.079 18793 4807 1 19 . 1 1 4 4 SER CB C 4 61.888 61.888 62.724 -0.836 18793 4808 1 19 . 1 1 4 4 SER H H 4 8.300 8.300 8.417 -0.117 18793 4809 1 19 . 1 1 5 5 ASN N N 5 122.025 122.025 118.905 3.120 18793 4810 1 19 . 1 1 5 5 ASN C C 5 177.049 177.049 177.621 -0.572 18793 4811 1 19 . 1 1 5 5 ASN CA C 5 55.110 55.110 55.845 -0.735 18793 4812 1 19 . 1 1 5 5 ASN CB C 5 37.454 37.454 38.270 -0.817 18793 4813 1 19 . 1 1 5 5 ASN H H 5 8.517 8.517 8.598 -0.081 18793 4814 1 19 . 1 1 6 6 ARG N N 6 119.117 119.117 119.583 -0.466 18793 4815 1 19 . 1 1 6 6 ARG C C 6 177.144 177.144 178.477 -1.333 18793 4816 1 19 . 1 1 6 6 ARG CA C 6 57.366 57.366 59.881 -2.515 18793 4817 1 19 . 1 1 6 6 ARG CB C 6 28.348 28.348 30.262 -1.914 18793 4818 1 19 . 1 1 6 6 ARG H H 6 8.194 8.194 7.597 0.597 18793 4819 1 19 . 1 1 7 7 GLU N N 7 117.987 117.987 119.622 -1.635 18793 4820 1 19 . 1 1 7 7 GLU C C 7 179.178 179.178 178.439 0.739 18793 4821 1 19 . 1 1 7 7 GLU CA C 7 58.332 58.332 59.243 -0.911 18793 4822 1 19 . 1 1 7 7 GLU CB C 7 28.112 28.112 29.488 -1.376 18793 4823 1 19 . 1 1 7 7 GLU H H 7 7.902 7.902 7.708 0.194 18793 4824 1 19 . 1 1 8 8 LEU N N 8 120.359 120.359 121.131 -0.772 18793 4825 1 19 . 1 1 8 8 LEU C C 8 178.161 178.161 177.973 0.188 18793 4826 1 19 . 1 1 8 8 LEU CA C 8 56.999 56.999 58.099 -1.099 18793 4827 1 19 . 1 1 8 8 LEU CB C 8 40.222 40.222 41.913 -1.691 18793 4828 1 19 . 1 1 8 8 LEU H H 8 7.690 7.690 7.623 0.067 18793 4829 1 19 . 1 1 9 9 VAL N N 9 117.926 117.926 118.435 -0.509 18793 4830 1 19 . 1 1 9 9 VAL C C 9 176.839 176.839 178.213 -1.374 18793 4831 1 19 . 1 1 9 9 VAL CA C 9 66.554 66.554 66.467 0.087 18793 4832 1 19 . 1 1 9 9 VAL CB C 9 31.001 31.001 30.718 0.283 18793 4833 1 19 . 1 1 9 9 VAL H H 9 7.512 7.512 7.815 -0.303 18793 4834 1 19 . 1 1 10 10 VAL N N 10 117.730 117.730 120.311 -2.581 18793 4835 1 19 . 1 1 10 10 VAL C C 10 178.364 178.364 178.378 -0.014 18793 4836 1 19 . 1 1 10 10 VAL CA C 10 65.999 65.999 66.225 -0.226 18793 4837 1 19 . 1 1 10 10 VAL CB C 10 30.112 30.112 30.249 -0.137 18793 4838 1 19 . 1 1 10 10 VAL H H 10 8.254 8.254 7.464 0.790 18793 4839 1 19 . 1 1 11 11 ASP N N 11 121.346 121.346 121.326 0.020 18793 4840 1 19 . 1 1 11 11 ASP C C 11 177.212 177.212 178.735 -1.523 18793 4841 1 19 . 1 1 11 11 ASP CA C 11 57.999 57.999 57.615 0.384 18793 4842 1 19 . 1 1 11 11 ASP CB C 11 42.111 42.111 40.392 1.719 18793 4843 1 19 . 1 1 11 11 ASP H H 11 8.029 8.029 7.923 0.106 18793 4844 1 19 . 1 1 12 12 PHE N N 12 120.632 120.632 118.090 2.542 18793 4845 1 19 . 1 1 12 12 PHE C C 12 177.890 177.890 178.190 -0.300 18793 4846 1 19 . 1 1 12 12 PHE CA C 12 62.110 62.110 58.726 3.384 18793 4847 1 19 . 1 1 12 12 PHE CB C 12 38.778 38.778 38.154 0.624 18793 4848 1 19 . 1 1 12 12 PHE H H 12 8.120 8.120 6.998 1.122 18793 4849 1 19 . 1 1 13 13 LEU N N 13 117.068 117.068 121.961 -4.893 18793 4850 1 19 . 1 1 13 13 LEU C C 13 179.280 179.280 178.645 0.635 18793 4851 1 19 . 1 1 13 13 LEU CA C 13 57.555 57.555 58.113 -0.558 18793 4852 1 19 . 1 1 13 13 LEU CB C 13 40.222 40.222 41.112 -0.890 18793 4853 1 19 . 1 1 13 13 LEU H H 13 8.770 8.770 8.744 0.026 18793 4854 1 19 . 1 1 14 14 SER N N 14 114.398 114.398 114.279 0.119 18793 4855 1 19 . 1 1 14 14 SER C C 14 176.941 176.941 176.605 0.336 18793 4856 1 19 . 1 1 14 14 SER CA C 14 61.777 61.777 61.616 0.161 18793 4857 1 19 . 1 1 14 14 SER CB C 14 60.824 60.824 62.153 -1.329 18793 4858 1 19 . 1 1 14 14 SER H H 14 8.407 8.407 8.030 0.377 18793 4859 1 19 . 1 1 15 15 TYR N N 15 125.435 125.435 123.520 1.915 18793 4860 1 19 . 1 1 15 15 TYR C C 15 177.991 177.991 177.963 0.028 18793 4861 1 19 . 1 1 15 15 TYR CA C 15 59.274 59.274 61.282 -2.008 18793 4862 1 19 . 1 1 15 15 TYR CB C 15 36.457 36.457 38.483 -2.026 18793 4863 1 19 . 1 1 15 15 TYR H H 15 8.129 8.129 7.586 0.543 18793 4864 1 19 . 1 1 16 16 LYS N N 16 120.549 120.549 119.212 1.337 18793 4865 1 19 . 1 1 16 16 LYS C C 16 180.127 180.127 179.283 0.844 18793 4866 1 19 . 1 1 16 16 LYS CA C 16 56.221 56.221 58.591 -2.370 18793 4867 1 19 . 1 1 16 16 LYS CB C 16 28.223 28.223 32.359 -4.136 18793 4868 1 19 . 1 1 16 16 LYS H H 16 8.150 8.150 7.841 0.309 18793 4869 1 19 . 1 1 17 17 LEU N N 17 118.843 118.843 121.044 -2.201 18793 4870 1 19 . 1 1 17 17 LEU C C 17 179.653 179.653 178.989 0.664 18793 4871 1 19 . 1 1 17 17 LEU CA C 17 57.777 57.777 57.656 0.121 18793 4872 1 19 . 1 1 17 17 LEU CB C 17 39.667 39.667 42.191 -2.524 18793 4873 1 19 . 1 1 17 17 LEU H H 17 8.581 8.581 8.706 -0.125 18793 4874 1 19 . 1 1 18 18 SER N N 18 117.814 117.814 114.434 3.380 18793 4875 1 19 . 1 1 18 18 SER C C 18 178.297 178.297 176.650 1.647 18793 4876 1 19 . 1 1 18 18 SER CA C 18 60.492 60.492 61.267 -0.775 18793 4877 1 19 . 1 1 18 18 SER CB C 18 61.600 61.600 62.706 -1.106 18793 4878 1 19 . 1 1 18 18 SER H H 18 8.272 8.272 8.399 -0.127 18793 4879 1 19 . 1 1 19 19 GLN N N 19 123.182 123.182 119.806 3.376 18793 4880 1 19 . 1 1 19 19 GLN C C 19 176.941 176.941 176.808 0.133 18793 4881 1 19 . 1 1 19 19 GLN CA C 19 57.666 57.666 58.013 -0.347 18793 4882 1 19 . 1 1 19 19 GLN CB C 19 27.334 27.334 28.776 -1.442 18793 4883 1 19 . 1 1 19 19 GLN H H 19 7.562 7.562 7.643 -0.081 18793 4884 1 19 . 1 1 20 20 LYS N N 20 116.732 116.732 117.116 -0.384 18793 4885 1 19 . 1 1 20 20 LYS C C 20 175.178 175.178 175.413 -0.235 18793 4886 1 19 . 1 1 20 20 LYS CA C 20 52.999 52.999 55.597 -2.598 18793 4887 1 19 . 1 1 20 20 LYS CB C 20 31.445 31.445 34.120 -2.675 18793 4888 1 19 . 1 1 20 20 LYS H H 20 7.114 7.114 7.811 -0.697 18793 4889 1 19 . 1 1 21 21 GLY N N 21 105.804 105.804 108.412 -2.608 18793 4890 1 19 . 1 1 21 21 GLY C C 21 173.652 173.652 173.498 0.154 18793 4891 1 19 . 1 1 21 21 GLY CA C 21 44.210 44.210 44.651 -0.441 18793 4892 1 19 . 1 1 21 21 GLY H H 21 7.451 7.451 7.704 -0.253 18793 4893 1 19 . 1 1 22 22 TYR N N 22 120.097 120.097 123.747 -3.650 18793 4894 1 19 . 1 1 22 22 TYR C C 22 174.737 174.737 174.552 0.185 18793 4895 1 19 . 1 1 22 22 TYR CA C 22 54.666 54.666 57.836 -3.170 18793 4896 1 19 . 1 1 22 22 TYR CB C 22 39.667 39.667 39.077 0.590 18793 4897 1 19 . 1 1 22 22 TYR H H 22 7.769 7.769 8.491 -0.722 18793 4898 1 19 . 1 1 23 23 SER N N 23 115.275 115.275 124.757 -9.482 18793 4899 1 19 . 1 1 23 23 SER C C 23 174.262 174.262 172.896 1.366 18793 4900 1 19 . 1 1 23 23 SER CA C 23 55.888 55.888 57.041 -1.153 18793 4901 1 19 . 1 1 23 23 SER CB C 23 63.888 63.888 62.762 1.126 18793 4902 1 19 . 1 1 23 23 SER H H 23 8.483 8.483 8.533 -0.050 18793 4903 1 19 . 1 1 24 24 TRP N N 24 127.826 127.826 126.379 1.447 18793 4904 1 19 . 1 1 24 24 TRP C C 24 176.669 176.669 175.067 1.602 18793 4905 1 19 . 1 1 24 24 TRP CA C 24 59.385 59.385 58.460 0.925 18793 4906 1 19 . 1 1 24 24 TRP CB C 24 29.479 29.479 29.640 -0.161 18793 4907 1 19 . 1 1 24 24 TRP H H 24 8.928 8.928 7.373 1.555 18793 4908 1 19 . 1 1 25 25 SER N N 25 111.710 111.710 114.689 -2.979 18793 4909 1 19 . 1 1 25 25 SER C C 25 174.974 174.974 174.114 0.860 18793 4910 1 19 . 1 1 25 25 SER CA C 25 59.332 59.332 58.503 0.829 18793 4911 1 19 . 1 1 25 25 SER CB C 25 61.888 61.888 63.433 -1.545 18793 4912 1 19 . 1 1 25 25 SER H H 25 8.146 8.146 7.286 0.860 18793 4913 1 19 . 1 1 26 26 GLN N N 26 119.553 119.553 116.163 3.390 18793 4914 1 19 . 1 1 26 26 GLN C C 26 175.991 175.991 174.315 1.676 18793 4915 1 19 . 1 1 26 26 GLN CA C 26 56.332 56.332 57.399 -1.067 18793 4916 1 19 . 1 1 26 26 GLN CB C 26 27.112 27.112 27.619 -0.506 18793 4917 1 19 . 1 1 26 26 GLN H H 26 7.319 7.319 8.149 -0.830 18793 4918 1 19 . 1 1 27 27 PHE N N 27 116.264 116.264 109.599 6.665 18793 4919 1 19 . 1 1 27 27 PHE C C 27 174.635 174.635 174.601 0.034 18793 4920 1 19 . 1 1 27 27 PHE CA C 27 55.555 55.555 55.513 0.042 18793 4921 1 19 . 1 1 27 27 PHE CB C 27 38.556 38.556 37.114 1.442 18793 4922 1 19 . 1 1 27 27 PHE H H 27 7.109 7.109 7.567 -0.458 18793 4923 1 19 . 1 1 28 28 SER N N 28 114.011 114.011 118.475 -4.464 18793 4924 1 19 . 1 1 28 28 SER C C 28 173.313 173.313 175.469 -2.156 18793 4925 1 19 . 1 1 28 28 SER CA C 28 56.555 56.555 59.674 -3.119 18793 4926 1 19 . 1 1 28 28 SER CB C 28 62.665 62.665 64.183 -1.518 18793 4927 1 19 . 1 1 28 28 SER H H 28 7.058 7.058 8.293 -1.235 18793 4928 1 19 . 1 1 29 29 ASP N N 29 123.008 123.008 120.660 2.348 18793 4929 1 19 . 1 1 29 29 ASP C C 29 175.991 175.991 176.540 -0.549 18793 4930 1 19 . 1 1 29 29 ASP CA C 29 53.333 53.333 56.298 -2.965 18793 4931 1 19 . 1 1 29 29 ASP CB C 29 39.889 39.889 41.300 -1.411 18793 4932 1 19 . 1 1 29 29 ASP H H 29 8.220 8.220 8.954 -0.734 18793 4933 1 19 . 1 1 30 30 VAL N N 30 119.570 119.570 114.239 5.331 18793 4934 1 19 . 1 1 30 30 VAL C C 30 175.788 175.788 174.764 1.024 18793 4935 1 19 . 1 1 30 30 VAL CA C 30 61.332 61.332 60.227 1.105 18793 4936 1 19 . 1 1 30 30 VAL CB C 30 31.889 31.889 30.724 1.165 18793 4937 1 19 . 1 1 30 30 VAL H H 30 7.823 7.823 7.972 -0.149 18793 4938 1 19 . 1 1 31 31 GLU N N 31 124.976 124.976 118.969 6.007 18793 4939 1 19 . 1 1 31 31 GLU C C 31 176.229 176.229 176.697 -0.468 18793 4940 1 19 . 1 1 31 31 GLU CA C 31 55.397 55.397 56.950 -1.552 18793 4941 1 19 . 1 1 31 31 GLU CB C 31 28.704 28.704 30.718 -2.014 18793 4942 1 19 . 1 1 31 31 GLU H H 31 8.390 8.390 7.828 0.562 18793 4943 1 19 . 1 1 32 32 GLU N N 32 122.629 122.629 117.782 4.847 18793 4944 1 19 . 1 1 32 32 GLU C C 32 175.788 175.788 174.873 0.915 18793 4945 1 19 . 1 1 32 32 GLU CA C 32 55.444 55.444 56.531 -1.087 18793 4946 1 19 . 1 1 32 32 GLU CB C 32 29.001 29.001 29.602 -0.601 18793 4947 1 19 . 1 1 32 32 GLU H H 32 8.307 8.307 8.512 -0.205 18793 4948 1 19 . 1 1 33 33 ASN N N 33 119.996 119.996 120.609 -0.613 18793 4949 1 19 . 1 1 33 33 ASN C C 33 174.601 174.601 176.065 -1.464 18793 4950 1 19 . 1 1 33 33 ASN CA C 33 52.555 52.555 53.955 -1.400 18793 4951 1 19 . 1 1 33 33 ASN CB C 33 37.778 37.778 39.458 -1.680 18793 4952 1 19 . 1 1 33 33 ASN H H 33 8.386 8.386 8.676 -0.290 18793 4953 1 19 . 1 1 34 34 ARG N N 34 122.424 122.424 117.422 5.002 18793 4954 1 19 . 1 1 34 34 ARG C C 34 176.195 176.195 175.151 1.044 18793 4955 1 19 . 1 1 34 34 ARG CA C 34 55.332 55.332 56.741 -1.409 18793 4956 1 19 . 1 1 34 34 ARG CB C 34 29.334 29.334 30.039 -0.705 18793 4957 1 19 . 1 1 34 34 ARG H H 34 8.211 8.211 7.796 0.415 18793 4958 1 19 . 1 1 35 35 THR N N 35 116.319 116.319 114.733 1.586 18793 4959 1 19 . 1 1 35 35 THR C C 35 174.093 174.093 174.962 -0.869 18793 4960 1 19 . 1 1 35 35 THR CA C 35 60.999 60.999 62.846 -1.847 18793 4961 1 19 . 1 1 35 35 THR CB C 35 68.887 68.887 68.478 0.409 18793 4962 1 19 . 1 1 35 35 THR H H 35 8.143 8.143 8.302 -0.159 18793 4963 1 19 . 1 1 36 36 GLU N N 36 123.405 123.405 118.613 4.792 18793 4964 1 19 . 1 1 36 36 GLU C C 36 175.279 175.279 176.045 -0.766 18793 4965 1 19 . 1 1 36 36 GLU CA C 36 55.397 55.397 58.417 -3.020 18793 4966 1 19 . 1 1 36 36 GLU CB C 36 28.815 28.815 30.225 -1.410 18793 4967 1 19 . 1 1 36 36 GLU H H 36 8.270 8.270 8.390 -0.120 18793 4968 1 19 . 1 1 37 37 ALA N N 37 126.500 126.500 120.659 5.841 18793 4969 1 19 . 1 1 37 37 ALA C C 37 175.279 175.279 174.729 0.550 18793 4970 1 19 . 1 1 37 37 ALA CA C 37 49.638 49.638 49.687 -0.049 18793 4971 1 19 . 1 1 37 37 ALA CB C 37 17.074 17.074 19.241 -2.167 18793 4972 1 19 . 1 1 37 37 ALA H H 37 8.170 8.170 7.645 0.525 18793 4973 1 19 . 1 1 39 39 GLU N N 39 121.397 121.397 119.842 1.555 18793 4974 1 19 . 1 1 39 39 GLU C C 39 176.771 176.771 177.647 -0.876 18793 4975 1 19 . 1 1 39 39 GLU CA C 39 55.999 55.999 57.194 -1.195 18793 4976 1 19 . 1 1 39 39 GLU CB C 39 29.001 29.001 29.946 -0.945 18793 4977 1 19 . 1 1 39 39 GLU H H 39 8.480 8.480 8.453 0.027 18793 4978 1 19 . 1 1 40 40 GLY N N 40 110.587 110.587 105.603 4.984 18793 4979 1 19 . 1 1 40 40 GLY C C 40 174.330 174.330 175.326 -0.996 18793 4980 1 19 . 1 1 40 40 GLY CA C 40 44.555 44.555 45.197 -0.642 18793 4981 1 19 . 1 1 40 40 GLY H H 40 8.388 8.388 8.251 0.137 18793 4982 1 19 . 1 1 41 41 THR N N 41 113.357 113.357 113.118 0.239 18793 4983 1 19 . 1 1 41 41 THR C C 41 175.279 175.279 175.133 0.146 18793 4984 1 19 . 1 1 41 41 THR CA C 41 61.332 61.332 64.197 -2.865 18793 4985 1 19 . 1 1 41 41 THR CB C 41 68.887 68.887 69.201 -0.314 18793 4986 1 19 . 1 1 41 41 THR H H 41 8.072 8.072 8.072 -0.000 18793 4987 1 19 . 1 1 42 42 GLU N N 42 123.483 123.483 118.675 4.808 18793 4988 1 19 . 1 1 42 42 GLU C C 42 177.076 177.076 176.748 0.328 18793 4989 1 19 . 1 1 42 42 GLU CA C 42 56.505 56.505 57.473 -0.968 18793 4990 1 19 . 1 1 42 42 GLU CB C 42 28.040 28.040 28.997 -0.956 18793 4991 1 19 . 1 1 42 42 GLU H H 42 8.741 8.741 7.985 0.756 18793 4992 1 19 . 1 1 43 43 SER N N 43 115.380 115.380 115.390 -0.010 18793 4993 1 19 . 1 1 43 43 SER C C 43 175.483 175.483 174.879 0.604 18793 4994 1 19 . 1 1 43 43 SER CA C 43 57.999 57.999 59.969 -1.970 18793 4995 1 19 . 1 1 43 43 SER CB C 43 62.221 62.221 63.281 -1.060 18793 4996 1 19 . 1 1 43 43 SER H H 43 8.297 8.297 8.424 -0.127 18793 4997 1 19 . 1 1 86 86 VAL N N 86 118.964 118.964 121.431 -2.467 18793 4998 1 19 . 1 1 86 86 VAL C C 86 176.466 176.466 176.875 -0.409 18793 4999 1 19 . 1 1 86 86 VAL CA C 86 64.999 64.999 65.822 -0.823 18793 5000 1 19 . 1 1 86 86 VAL CB C 86 30.112 30.112 32.386 -2.274 18793 5001 1 19 . 1 1 86 86 VAL H H 86 7.342 7.342 8.285 -0.943 18793 5002 1 19 . 1 1 87 87 LYS N N 87 118.061 118.061 118.087 -0.026 18793 5003 1 19 . 1 1 87 87 LYS C C 87 178.669 178.669 178.905 -0.236 18793 5004 1 19 . 1 1 87 87 LYS CA C 87 58.443 58.443 59.382 -0.939 18793 5005 1 19 . 1 1 87 87 LYS CB C 87 30.778 30.778 31.898 -1.120 18793 5006 1 19 . 1 1 87 87 LYS H H 87 7.312 7.312 7.944 -0.632 18793 5007 1 19 . 1 1 88 88 GLN N N 88 116.417 116.417 119.613 -3.196 18793 5008 1 19 . 1 1 88 88 GLN C C 88 177.212 177.212 178.511 -1.299 18793 5009 1 19 . 1 1 88 88 GLN CA C 88 57.888 57.888 58.777 -0.889 18793 5010 1 19 . 1 1 88 88 GLN CB C 88 26.890 26.890 28.730 -1.840 18793 5011 1 19 . 1 1 88 88 GLN H H 88 7.924 7.924 7.629 0.295 18793 5012 1 19 . 1 1 89 89 ALA N N 89 120.666 120.666 122.876 -2.210 18793 5013 1 19 . 1 1 89 89 ALA C C 89 179.076 179.076 179.561 -0.485 18793 5014 1 19 . 1 1 89 89 ALA CA C 89 53.999 53.999 54.831 -0.832 18793 5015 1 19 . 1 1 89 89 ALA CB C 89 17.113 17.113 18.506 -1.393 18793 5016 1 19 . 1 1 89 89 ALA H H 89 7.605 7.605 8.651 -1.046 18793 5017 1 19 . 1 1 90 90 LEU N N 90 119.883 119.883 119.254 0.629 18793 5018 1 19 . 1 1 90 90 LEU C C 90 179.178 179.178 178.258 0.920 18793 5019 1 19 . 1 1 90 90 LEU CA C 90 57.332 57.332 57.438 -0.105 18793 5020 1 19 . 1 1 90 90 LEU CB C 90 40.889 40.889 41.517 -0.628 18793 5021 1 19 . 1 1 90 90 LEU H H 90 8.283 8.283 7.630 0.653 18793 5022 1 19 . 1 1 91 91 ARG N N 91 118.692 118.692 118.296 0.396 18793 5023 1 19 . 1 1 91 91 ARG C C 91 178.432 178.432 178.332 0.100 18793 5024 1 19 . 1 1 91 91 ARG CA C 91 59.666 59.666 58.272 1.394 18793 5025 1 19 . 1 1 91 91 ARG CB C 91 29.334 29.334 29.189 0.145 18793 5026 1 19 . 1 1 91 91 ARG H H 91 8.011 8.011 7.183 0.828 18793 5027 1 19 . 1 1 92 92 GLU N N 92 116.799 116.799 119.305 -2.506 18793 5028 1 19 . 1 1 92 92 GLU C C 92 179.788 179.788 179.090 0.698 18793 5029 1 19 . 1 1 92 92 GLU CA C 92 58.110 58.110 59.357 -1.247 18793 5030 1 19 . 1 1 92 92 GLU CB C 92 27.890 27.890 29.550 -1.660 18793 5031 1 19 . 1 1 92 92 GLU H H 92 7.802 7.802 7.621 0.181 18793 5032 1 19 . 1 1 93 93 ALA N N 93 124.583 124.583 119.870 4.713 18793 5033 1 19 . 1 1 93 93 ALA C C 93 180.161 180.161 179.801 0.360 18793 5034 1 19 . 1 1 93 93 ALA CA C 93 54.290 54.290 53.285 1.004 18793 5035 1 19 . 1 1 93 93 ALA CB C 93 18.071 18.071 18.810 -0.739 18793 5036 1 19 . 1 1 93 93 ALA H H 93 8.795 8.795 8.090 0.705 18793 5037 1 19 . 1 1 94 94 GLY N N 94 107.341 107.341 107.378 -0.037 18793 5038 1 19 . 1 1 94 94 GLY C C 94 175.673 175.673 175.067 0.606 18793 5039 1 19 . 1 1 94 94 GLY CA C 94 46.333 46.333 46.961 -0.628 18793 5040 1 19 . 1 1 94 94 GLY H H 94 8.949 8.949 7.975 0.974 18793 5041 1 19 . 1 1 95 95 ASP N N 95 122.494 122.494 119.158 3.336 18793 5042 1 19 . 1 1 95 95 ASP C C 95 175.822 175.822 176.615 -0.793 18793 5043 1 19 . 1 1 95 95 ASP CA C 95 62.448 62.448 53.636 8.812 18793 5044 1 19 . 1 1 95 95 ASP CB C 95 38.604 38.604 41.196 -2.592 18793 5045 1 19 . 1 1 95 95 ASP H H 95 8.129 8.129 7.720 0.409 18793 5046 1 19 . 1 1 96 96 GLU N N 96 123.198 123.198 120.217 2.981 18793 5047 1 19 . 1 1 96 96 GLU C C 96 177.367 177.367 178.317 -0.950 18793 5048 1 19 . 1 1 96 96 GLU CA C 96 57.391 57.391 58.238 -0.847 18793 5049 1 19 . 1 1 96 96 GLU CB C 96 27.929 27.929 29.641 -1.712 18793 5050 1 19 . 1 1 96 96 GLU H H 96 8.691 8.691 8.045 0.646 18793 5051 1 19 . 1 1 97 97 PHE N N 97 113.232 113.232 118.004 -4.772 18793 5052 1 19 . 1 1 97 97 PHE C C 97 175.163 175.163 176.480 -1.317 18793 5053 1 19 . 1 1 97 97 PHE CA C 97 61.888 61.888 60.149 1.739 18793 5054 1 19 . 1 1 97 97 PHE H H 97 7.939 7.939 7.906 0.033 18793 5055 1 20 . 1 1 1 1 MET N N 1 120.233 120.233 111.693 8.540 18793 5056 1 20 . 1 1 1 1 MET C C 1 176.466 176.466 174.203 2.263 18793 5057 1 20 . 1 1 1 1 MET CA C 1 54.999 54.999 56.111 -1.111 18793 5058 1 20 . 1 1 1 1 MET CB C 1 31.334 31.334 33.608 -2.274 18793 5059 1 20 . 1 1 1 1 MET H H 1 8.288 8.288 7.724 0.564 18793 5060 1 20 . 1 1 2 2 SER N N 2 117.150 117.150 114.299 2.851 18793 5061 1 20 . 1 1 2 2 SER C C 2 175.585 175.585 175.428 0.157 18793 5062 1 20 . 1 1 2 2 SER CA C 2 58.221 58.221 57.678 0.543 18793 5063 1 20 . 1 1 2 2 SER CB C 2 62.221 62.221 64.566 -2.345 18793 5064 1 20 . 1 1 2 2 SER H H 2 8.191 8.191 7.828 0.363 18793 5065 1 20 . 1 1 3 3 GLN N N 3 122.952 122.952 122.829 0.123 18793 5066 1 20 . 1 1 3 3 GLN C C 3 176.703 176.703 177.297 -0.594 18793 5067 1 20 . 1 1 3 3 GLN CA C 3 55.888 55.888 59.530 -3.642 18793 5068 1 20 . 1 1 3 3 GLN CB C 3 27.445 27.445 28.562 -1.117 18793 5069 1 20 . 1 1 3 3 GLN H H 3 8.334 8.334 8.473 -0.139 18793 5070 1 20 . 1 1 4 4 SER N N 4 117.024 117.024 112.970 4.054 18793 5071 1 20 . 1 1 4 4 SER C C 4 176.059 176.059 176.764 -0.705 18793 5072 1 20 . 1 1 4 4 SER CA C 4 59.443 59.443 60.157 -0.715 18793 5073 1 20 . 1 1 4 4 SER CB C 4 61.888 61.888 62.556 -0.667 18793 5074 1 20 . 1 1 4 4 SER H H 4 8.300 8.300 8.666 -0.366 18793 5075 1 20 . 1 1 5 5 ASN N N 5 122.025 122.025 121.278 0.747 18793 5076 1 20 . 1 1 5 5 ASN C C 5 177.049 177.049 177.430 -0.381 18793 5077 1 20 . 1 1 5 5 ASN CA C 5 55.110 55.110 56.554 -1.444 18793 5078 1 20 . 1 1 5 5 ASN CB C 5 37.454 37.454 38.514 -1.060 18793 5079 1 20 . 1 1 5 5 ASN H H 5 8.517 8.517 8.503 0.014 18793 5080 1 20 . 1 1 6 6 ARG N N 6 119.117 119.117 120.556 -1.439 18793 5081 1 20 . 1 1 6 6 ARG C C 6 177.144 177.144 178.737 -1.593 18793 5082 1 20 . 1 1 6 6 ARG CA C 6 57.366 57.366 59.789 -2.423 18793 5083 1 20 . 1 1 6 6 ARG CB C 6 28.348 28.348 30.325 -1.977 18793 5084 1 20 . 1 1 6 6 ARG H H 6 8.194 8.194 7.887 0.307 18793 5085 1 20 . 1 1 7 7 GLU N N 7 117.987 117.987 120.039 -2.052 18793 5086 1 20 . 1 1 7 7 GLU C C 7 179.178 179.178 179.191 -0.013 18793 5087 1 20 . 1 1 7 7 GLU CA C 7 58.332 58.332 59.511 -1.179 18793 5088 1 20 . 1 1 7 7 GLU CB C 7 28.112 28.112 29.596 -1.484 18793 5089 1 20 . 1 1 7 7 GLU H H 7 7.902 7.902 7.800 0.102 18793 5090 1 20 . 1 1 8 8 LEU N N 8 120.359 120.359 121.428 -1.069 18793 5091 1 20 . 1 1 8 8 LEU C C 8 178.161 178.161 178.731 -0.570 18793 5092 1 20 . 1 1 8 8 LEU CA C 8 56.999 56.999 58.555 -1.556 18793 5093 1 20 . 1 1 8 8 LEU CB C 8 40.222 40.222 42.322 -2.099 18793 5094 1 20 . 1 1 8 8 LEU H H 8 7.690 7.690 8.229 -0.539 18793 5095 1 20 . 1 1 9 9 VAL N N 9 117.926 117.926 119.449 -1.523 18793 5096 1 20 . 1 1 9 9 VAL C C 9 176.839 176.839 178.044 -1.205 18793 5097 1 20 . 1 1 9 9 VAL CA C 9 66.554 66.554 67.903 -1.349 18793 5098 1 20 . 1 1 9 9 VAL CB C 9 31.001 31.001 31.979 -0.978 18793 5099 1 20 . 1 1 9 9 VAL H H 9 7.512 7.512 7.844 -0.332 18793 5100 1 20 . 1 1 10 10 VAL N N 10 117.730 117.730 120.202 -2.472 18793 5101 1 20 . 1 1 10 10 VAL C C 10 178.364 178.364 177.598 0.766 18793 5102 1 20 . 1 1 10 10 VAL CA C 10 65.999 65.999 67.847 -1.848 18793 5103 1 20 . 1 1 10 10 VAL CB C 10 30.112 30.112 31.574 -1.462 18793 5104 1 20 . 1 1 10 10 VAL H H 10 8.254 8.254 8.195 0.059 18793 5105 1 20 . 1 1 11 11 ASP N N 11 121.346 121.346 120.583 0.763 18793 5106 1 20 . 1 1 11 11 ASP C C 11 177.212 177.212 178.359 -1.147 18793 5107 1 20 . 1 1 11 11 ASP CA C 11 57.999 57.999 57.531 0.468 18793 5108 1 20 . 1 1 11 11 ASP CB C 11 42.111 42.111 41.138 0.973 18793 5109 1 20 . 1 1 11 11 ASP H H 11 8.029 8.029 8.505 -0.476 18793 5110 1 20 . 1 1 12 12 PHE N N 12 120.632 120.632 119.424 1.208 18793 5111 1 20 . 1 1 12 12 PHE C C 12 177.890 177.890 177.175 0.715 18793 5112 1 20 . 1 1 12 12 PHE CA C 12 62.110 62.110 60.924 1.186 18793 5113 1 20 . 1 1 12 12 PHE CB C 12 38.778 38.778 39.209 -0.431 18793 5114 1 20 . 1 1 12 12 PHE H H 12 8.120 8.120 7.837 0.283 18793 5115 1 20 . 1 1 13 13 LEU N N 13 117.068 117.068 121.294 -4.226 18793 5116 1 20 . 1 1 13 13 LEU C C 13 179.280 179.280 179.110 0.170 18793 5117 1 20 . 1 1 13 13 LEU CA C 13 57.555 57.555 58.452 -0.896 18793 5118 1 20 . 1 1 13 13 LEU CB C 13 40.222 40.222 40.788 -0.566 18793 5119 1 20 . 1 1 13 13 LEU H H 13 8.770 8.770 8.723 0.047 18793 5120 1 20 . 1 1 14 14 SER N N 14 114.398 114.398 114.161 0.237 18793 5121 1 20 . 1 1 14 14 SER C C 14 176.941 176.941 176.761 0.180 18793 5122 1 20 . 1 1 14 14 SER CA C 14 61.777 61.777 61.749 0.028 18793 5123 1 20 . 1 1 14 14 SER CB C 14 60.824 60.824 63.079 -2.255 18793 5124 1 20 . 1 1 14 14 SER H H 14 8.407 8.407 8.734 -0.327 18793 5125 1 20 . 1 1 15 15 TYR N N 15 125.435 125.435 122.577 2.858 18793 5126 1 20 . 1 1 15 15 TYR C C 15 177.991 177.991 178.069 -0.078 18793 5127 1 20 . 1 1 15 15 TYR CA C 15 59.274 59.274 61.196 -1.922 18793 5128 1 20 . 1 1 15 15 TYR CB C 15 36.457 36.457 38.147 -1.690 18793 5129 1 20 . 1 1 15 15 TYR H H 15 8.129 8.129 7.347 0.782 18793 5130 1 20 . 1 1 16 16 LYS N N 16 120.549 120.549 118.977 1.572 18793 5131 1 20 . 1 1 16 16 LYS C C 16 180.127 180.127 178.309 1.818 18793 5132 1 20 . 1 1 16 16 LYS CA C 16 56.221 56.221 58.464 -2.243 18793 5133 1 20 . 1 1 16 16 LYS CB C 16 28.223 28.223 31.877 -3.654 18793 5134 1 20 . 1 1 16 16 LYS H H 16 8.150 8.150 7.743 0.407 18793 5135 1 20 . 1 1 17 17 LEU N N 17 118.843 118.843 117.356 1.487 18793 5136 1 20 . 1 1 17 17 LEU C C 17 179.653 179.653 178.884 0.769 18793 5137 1 20 . 1 1 17 17 LEU CA C 17 57.777 57.777 56.624 1.153 18793 5138 1 20 . 1 1 17 17 LEU CB C 17 39.667 39.667 42.056 -2.389 18793 5139 1 20 . 1 1 17 17 LEU H H 17 8.581 8.581 7.907 0.674 18793 5140 1 20 . 1 1 18 18 SER N N 18 117.814 117.814 116.854 0.960 18793 5141 1 20 . 1 1 18 18 SER C C 18 178.297 178.297 176.620 1.677 18793 5142 1 20 . 1 1 18 18 SER CA C 18 60.492 60.492 61.731 -1.239 18793 5143 1 20 . 1 1 18 18 SER CB C 18 61.600 61.600 62.376 -0.776 18793 5144 1 20 . 1 1 18 18 SER H H 18 8.272 8.272 8.036 0.236 18793 5145 1 20 . 1 1 19 19 GLN N N 19 123.182 123.182 120.668 2.514 18793 5146 1 20 . 1 1 19 19 GLN C C 19 176.941 176.941 177.715 -0.774 18793 5147 1 20 . 1 1 19 19 GLN CA C 19 57.666 57.666 58.216 -0.550 18793 5148 1 20 . 1 1 19 19 GLN CB C 19 27.334 27.334 28.769 -1.435 18793 5149 1 20 . 1 1 19 19 GLN H H 19 7.562 7.562 7.629 -0.067 18793 5150 1 20 . 1 1 20 20 LYS N N 20 116.732 116.732 116.202 0.530 18793 5151 1 20 . 1 1 20 20 LYS C C 20 175.178 175.178 176.993 -1.815 18793 5152 1 20 . 1 1 20 20 LYS CA C 20 52.999 52.999 57.209 -4.210 18793 5153 1 20 . 1 1 20 20 LYS CB C 20 31.445 31.445 33.480 -2.035 18793 5154 1 20 . 1 1 20 20 LYS H H 20 7.114 7.114 7.800 -0.686 18793 5155 1 20 . 1 1 21 21 GLY N N 21 105.804 105.804 104.583 1.221 18793 5156 1 20 . 1 1 21 21 GLY C C 21 173.652 173.652 173.269 0.383 18793 5157 1 20 . 1 1 21 21 GLY CA C 21 44.210 44.210 45.205 -0.995 18793 5158 1 20 . 1 1 21 21 GLY H H 21 7.451 7.451 7.540 -0.089 18793 5159 1 20 . 1 1 22 22 TYR N N 22 120.097 120.097 116.575 3.522 18793 5160 1 20 . 1 1 22 22 TYR C C 22 174.737 174.737 173.194 1.543 18793 5161 1 20 . 1 1 22 22 TYR CA C 22 54.666 54.666 55.767 -1.101 18793 5162 1 20 . 1 1 22 22 TYR CB C 22 39.667 39.667 39.221 0.446 18793 5163 1 20 . 1 1 22 22 TYR H H 22 7.769 7.769 7.080 0.689 18793 5164 1 20 . 1 1 23 23 SER N N 23 115.275 115.275 115.643 -0.368 18793 5165 1 20 . 1 1 23 23 SER C C 23 174.262 174.262 176.258 -1.996 18793 5166 1 20 . 1 1 23 23 SER CA C 23 55.888 55.888 55.509 0.379 18793 5167 1 20 . 1 1 23 23 SER CB C 23 63.888 63.888 64.783 -0.895 18793 5168 1 20 . 1 1 23 23 SER H H 23 8.483 8.483 8.407 0.076 18793 5169 1 20 . 1 1 24 24 TRP N N 24 127.826 127.826 123.129 4.697 18793 5170 1 20 . 1 1 24 24 TRP C C 24 176.669 176.669 176.395 0.274 18793 5171 1 20 . 1 1 24 24 TRP CA C 24 59.385 59.385 59.088 0.297 18793 5172 1 20 . 1 1 24 24 TRP CB C 24 29.479 29.479 28.777 0.702 18793 5173 1 20 . 1 1 24 24 TRP H H 24 8.928 8.928 8.563 0.365 18793 5174 1 20 . 1 1 25 25 SER N N 25 111.710 111.710 115.146 -3.436 18793 5175 1 20 . 1 1 25 25 SER C C 25 174.974 174.974 174.350 0.624 18793 5176 1 20 . 1 1 25 25 SER CA C 25 59.332 59.332 58.636 0.696 18793 5177 1 20 . 1 1 25 25 SER CB C 25 61.888 61.888 62.729 -0.841 18793 5178 1 20 . 1 1 25 25 SER H H 25 8.146 8.146 6.816 1.330 18793 5179 1 20 . 1 1 26 26 GLN N N 26 119.553 119.553 117.621 1.932 18793 5180 1 20 . 1 1 26 26 GLN C C 26 175.991 175.991 174.513 1.478 18793 5181 1 20 . 1 1 26 26 GLN CA C 26 56.332 56.332 56.992 -0.660 18793 5182 1 20 . 1 1 26 26 GLN CB C 26 27.112 27.112 26.733 0.379 18793 5183 1 20 . 1 1 26 26 GLN H H 26 7.319 7.319 7.916 -0.597 18793 5184 1 20 . 1 1 27 27 PHE N N 27 116.264 116.264 118.692 -2.428 18793 5185 1 20 . 1 1 27 27 PHE C C 27 174.635 174.635 174.437 0.198 18793 5186 1 20 . 1 1 27 27 PHE CA C 27 55.555 55.555 58.649 -3.094 18793 5187 1 20 . 1 1 27 27 PHE CB C 27 38.556 38.556 39.739 -1.183 18793 5188 1 20 . 1 1 27 27 PHE H H 27 7.109 7.109 7.902 -0.793 18793 5189 1 20 . 1 1 28 28 SER N N 28 114.011 114.011 116.255 -2.244 18793 5190 1 20 . 1 1 28 28 SER C C 28 173.313 173.313 173.255 0.058 18793 5191 1 20 . 1 1 28 28 SER CA C 28 56.555 56.555 59.267 -2.712 18793 5192 1 20 . 1 1 28 28 SER CB C 28 62.665 62.665 63.070 -0.405 18793 5193 1 20 . 1 1 28 28 SER H H 28 7.058 7.058 8.263 -1.205 18793 5194 1 20 . 1 1 29 29 ASP N N 29 123.008 123.008 122.187 0.821 18793 5195 1 20 . 1 1 29 29 ASP C C 29 175.991 175.991 175.735 0.256 18793 5196 1 20 . 1 1 29 29 ASP CA C 29 53.333 53.333 54.436 -1.103 18793 5197 1 20 . 1 1 29 29 ASP CB C 29 39.889 39.889 41.716 -1.827 18793 5198 1 20 . 1 1 29 29 ASP H H 29 8.220 8.220 8.223 -0.003 18793 5199 1 20 . 1 1 30 30 VAL N N 30 119.570 119.570 116.692 2.878 18793 5200 1 20 . 1 1 30 30 VAL C C 30 175.788 175.788 175.974 -0.186 18793 5201 1 20 . 1 1 30 30 VAL CA C 30 61.332 61.332 62.910 -1.578 18793 5202 1 20 . 1 1 30 30 VAL CB C 30 31.889 31.889 33.695 -1.806 18793 5203 1 20 . 1 1 30 30 VAL H H 30 7.823 7.823 7.876 -0.053 18793 5204 1 20 . 1 1 31 31 GLU N N 31 124.976 124.976 118.097 6.879 18793 5205 1 20 . 1 1 31 31 GLU C C 31 176.229 176.229 175.510 0.719 18793 5206 1 20 . 1 1 31 31 GLU CA C 31 55.397 55.397 58.120 -2.723 18793 5207 1 20 . 1 1 31 31 GLU CB C 31 28.704 28.704 30.684 -1.980 18793 5208 1 20 . 1 1 31 31 GLU H H 31 8.390 8.390 8.302 0.088 18793 5209 1 20 . 1 1 32 32 GLU N N 32 122.629 122.629 119.122 3.507 18793 5210 1 20 . 1 1 32 32 GLU C C 32 175.788 175.788 175.085 0.703 18793 5211 1 20 . 1 1 32 32 GLU CA C 32 55.444 55.444 55.520 -0.076 18793 5212 1 20 . 1 1 32 32 GLU CB C 32 29.001 29.001 30.301 -1.300 18793 5213 1 20 . 1 1 32 32 GLU H H 32 8.307 8.307 8.494 -0.187 18793 5214 1 20 . 1 1 33 33 ASN N N 33 119.996 119.996 118.473 1.523 18793 5215 1 20 . 1 1 33 33 ASN C C 33 174.601 174.601 173.862 0.739 18793 5216 1 20 . 1 1 33 33 ASN CA C 33 52.555 52.555 53.676 -1.121 18793 5217 1 20 . 1 1 33 33 ASN CB C 33 37.778 37.778 37.631 0.147 18793 5218 1 20 . 1 1 33 33 ASN H H 33 8.386 8.386 8.059 0.327 18793 5219 1 20 . 1 1 34 34 ARG N N 34 122.424 122.424 119.075 3.349 18793 5220 1 20 . 1 1 34 34 ARG C C 34 176.195 176.195 175.616 0.579 18793 5221 1 20 . 1 1 34 34 ARG CA C 34 55.332 55.332 55.373 -0.041 18793 5222 1 20 . 1 1 34 34 ARG CB C 34 29.334 29.334 30.726 -1.392 18793 5223 1 20 . 1 1 34 34 ARG H H 34 8.211 8.211 7.824 0.387 18793 5224 1 20 . 1 1 35 35 THR N N 35 116.319 116.319 115.858 0.461 18793 5225 1 20 . 1 1 35 35 THR C C 35 174.093 174.093 175.494 -1.401 18793 5226 1 20 . 1 1 35 35 THR CA C 35 60.999 60.999 63.572 -2.573 18793 5227 1 20 . 1 1 35 35 THR CB C 35 68.887 68.887 69.279 -0.392 18793 5228 1 20 . 1 1 35 35 THR H H 35 8.143 8.143 8.403 -0.260 18793 5229 1 20 . 1 1 36 36 GLU N N 36 123.405 123.405 118.916 4.489 18793 5230 1 20 . 1 1 36 36 GLU C C 36 175.279 175.279 175.177 0.102 18793 5231 1 20 . 1 1 36 36 GLU CA C 36 55.397 55.397 56.193 -0.796 18793 5232 1 20 . 1 1 36 36 GLU CB C 36 28.815 28.815 28.887 -0.072 18793 5233 1 20 . 1 1 36 36 GLU H H 36 8.270 8.270 8.230 0.040 18793 5234 1 20 . 1 1 37 37 ALA N N 37 126.500 126.500 123.759 2.741 18793 5235 1 20 . 1 1 37 37 ALA C C 37 175.279 175.279 176.712 -1.433 18793 5236 1 20 . 1 1 37 37 ALA CA C 37 49.638 49.638 51.808 -2.170 18793 5237 1 20 . 1 1 37 37 ALA CB C 37 17.074 17.074 19.079 -2.005 18793 5238 1 20 . 1 1 37 37 ALA H H 37 8.170 8.170 8.222 -0.052 18793 5239 1 20 . 1 1 39 39 GLU N N 39 121.397 121.397 116.193 5.204 18793 5240 1 20 . 1 1 39 39 GLU C C 39 176.771 176.771 176.531 0.240 18793 5241 1 20 . 1 1 39 39 GLU CA C 39 55.999 55.999 56.831 -0.832 18793 5242 1 20 . 1 1 39 39 GLU CB C 39 29.001 29.001 31.524 -2.523 18793 5243 1 20 . 1 1 39 39 GLU H H 39 8.480 8.480 7.939 0.541 18793 5244 1 20 . 1 1 40 40 GLY N N 40 110.587 110.587 108.424 2.163 18793 5245 1 20 . 1 1 40 40 GLY C C 40 174.330 174.330 174.761 -0.431 18793 5246 1 20 . 1 1 40 40 GLY CA C 40 44.555 44.555 45.052 -0.497 18793 5247 1 20 . 1 1 40 40 GLY H H 40 8.388 8.388 8.050 0.338 18793 5248 1 20 . 1 1 41 41 THR N N 41 113.357 113.357 115.918 -2.561 18793 5249 1 20 . 1 1 41 41 THR C C 41 175.279 175.279 173.854 1.425 18793 5250 1 20 . 1 1 41 41 THR CA C 41 61.332 61.332 62.644 -1.312 18793 5251 1 20 . 1 1 41 41 THR CB C 41 68.887 68.887 68.055 0.832 18793 5252 1 20 . 1 1 41 41 THR H H 41 8.072 8.072 8.393 -0.321 18793 5253 1 20 . 1 1 42 42 GLU N N 42 123.483 123.483 118.804 4.679 18793 5254 1 20 . 1 1 42 42 GLU C C 42 177.076 177.076 176.383 0.693 18793 5255 1 20 . 1 1 42 42 GLU CA C 42 56.505 56.505 57.924 -1.419 18793 5256 1 20 . 1 1 42 42 GLU CB C 42 28.040 28.040 30.977 -2.937 18793 5257 1 20 . 1 1 42 42 GLU H H 42 8.741 8.741 7.626 1.115 18793 5258 1 20 . 1 1 43 43 SER N N 43 115.380 115.380 115.962 -0.582 18793 5259 1 20 . 1 1 43 43 SER C C 43 175.483 175.483 175.010 0.473 18793 5260 1 20 . 1 1 43 43 SER CA C 43 57.999 57.999 60.954 -2.955 18793 5261 1 20 . 1 1 43 43 SER CB C 43 62.221 62.221 63.414 -1.193 18793 5262 1 20 . 1 1 43 43 SER H H 43 8.297 8.297 8.320 -0.023 18793 5263 1 20 . 1 1 86 86 VAL N N 86 118.964 118.964 121.404 -2.440 18793 5264 1 20 . 1 1 86 86 VAL C C 86 176.466 176.466 176.475 -0.009 18793 5265 1 20 . 1 1 86 86 VAL CA C 86 64.999 64.999 65.957 -0.958 18793 5266 1 20 . 1 1 86 86 VAL CB C 86 30.112 30.112 31.879 -1.767 18793 5267 1 20 . 1 1 86 86 VAL H H 86 7.342 7.342 8.201 -0.859 18793 5268 1 20 . 1 1 87 87 LYS N N 87 118.061 118.061 119.023 -0.962 18793 5269 1 20 . 1 1 87 87 LYS C C 87 178.669 178.669 178.804 -0.135 18793 5270 1 20 . 1 1 87 87 LYS CA C 87 58.443 58.443 59.383 -0.940 18793 5271 1 20 . 1 1 87 87 LYS CB C 87 30.778 30.778 32.267 -1.489 18793 5272 1 20 . 1 1 87 87 LYS H H 87 7.312 7.312 7.700 -0.388 18793 5273 1 20 . 1 1 88 88 GLN N N 88 116.417 116.417 118.790 -2.373 18793 5274 1 20 . 1 1 88 88 GLN C C 88 177.212 177.212 178.037 -0.825 18793 5275 1 20 . 1 1 88 88 GLN CA C 88 57.888 57.888 58.040 -0.152 18793 5276 1 20 . 1 1 88 88 GLN CB C 88 26.890 26.890 28.307 -1.417 18793 5277 1 20 . 1 1 88 88 GLN H H 88 7.924 7.924 7.619 0.305 18793 5278 1 20 . 1 1 89 89 ALA N N 89 120.666 120.666 122.897 -2.231 18793 5279 1 20 . 1 1 89 89 ALA C C 89 179.076 179.076 179.584 -0.508 18793 5280 1 20 . 1 1 89 89 ALA CA C 89 53.999 53.999 54.797 -0.798 18793 5281 1 20 . 1 1 89 89 ALA CB C 89 17.113 17.113 17.516 -0.403 18793 5282 1 20 . 1 1 89 89 ALA H H 89 7.605 7.605 8.126 -0.521 18793 5283 1 20 . 1 1 90 90 LEU N N 90 119.883 119.883 118.702 1.181 18793 5284 1 20 . 1 1 90 90 LEU C C 90 179.178 179.178 178.711 0.467 18793 5285 1 20 . 1 1 90 90 LEU CA C 90 57.332 57.332 57.840 -0.508 18793 5286 1 20 . 1 1 90 90 LEU CB C 90 40.889 40.889 41.526 -0.637 18793 5287 1 20 . 1 1 90 90 LEU H H 90 8.283 8.283 8.060 0.223 18793 5288 1 20 . 1 1 91 91 ARG N N 91 118.692 118.692 118.522 0.170 18793 5289 1 20 . 1 1 91 91 ARG C C 91 178.432 178.432 178.540 -0.108 18793 5290 1 20 . 1 1 91 91 ARG CA C 91 59.666 59.666 59.300 0.366 18793 5291 1 20 . 1 1 91 91 ARG CB C 91 29.334 29.334 30.198 -0.865 18793 5292 1 20 . 1 1 91 91 ARG H H 91 8.011 8.011 7.598 0.413 18793 5293 1 20 . 1 1 92 92 GLU N N 92 116.799 116.799 119.510 -2.711 18793 5294 1 20 . 1 1 92 92 GLU C C 92 179.788 179.788 178.765 1.023 18793 5295 1 20 . 1 1 92 92 GLU CA C 92 58.110 58.110 59.582 -1.472 18793 5296 1 20 . 1 1 92 92 GLU CB C 92 27.890 27.890 29.819 -1.929 18793 5297 1 20 . 1 1 92 92 GLU H H 92 7.802 7.802 7.833 -0.031 18793 5298 1 20 . 1 1 93 93 ALA N N 93 124.583 124.583 119.929 4.654 18793 5299 1 20 . 1 1 93 93 ALA C C 93 180.161 180.161 179.461 0.700 18793 5300 1 20 . 1 1 93 93 ALA CA C 93 54.290 54.290 54.208 0.082 18793 5301 1 20 . 1 1 93 93 ALA CB C 93 18.071 18.071 18.982 -0.911 18793 5302 1 20 . 1 1 93 93 ALA H H 93 8.795 8.795 8.588 0.207 18793 5303 1 20 . 1 1 94 94 GLY N N 94 107.341 107.341 105.049 2.292 18793 5304 1 20 . 1 1 94 94 GLY C C 94 175.673 175.673 174.492 1.181 18793 5305 1 20 . 1 1 94 94 GLY CA C 94 46.333 46.333 46.580 -0.247 18793 5306 1 20 . 1 1 94 94 GLY H H 94 8.949 8.949 8.469 0.480 18793 5307 1 20 . 1 1 95 95 ASP N N 95 122.494 122.494 117.140 5.354 18793 5308 1 20 . 1 1 95 95 ASP C C 95 175.822 175.822 177.678 -1.856 18793 5309 1 20 . 1 1 95 95 ASP CA C 95 62.448 62.448 55.287 7.161 18793 5310 1 20 . 1 1 95 95 ASP CB C 95 38.604 38.604 41.901 -3.297 18793 5311 1 20 . 1 1 95 95 ASP H H 95 8.129 8.129 7.693 0.436 18793 5312 1 20 . 1 1 96 96 GLU N N 96 123.198 123.198 120.253 2.945 18793 5313 1 20 . 1 1 96 96 GLU C C 96 177.367 177.367 178.449 -1.082 18793 5314 1 20 . 1 1 96 96 GLU CA C 96 57.391 57.391 57.325 0.066 18793 5315 1 20 . 1 1 96 96 GLU CB C 96 27.929 27.929 30.371 -2.442 18793 5316 1 20 . 1 1 96 96 GLU H H 96 8.691 8.691 7.668 1.023 18793 5317 1 20 . 1 1 97 97 PHE N N 97 113.232 113.232 118.752 -5.520 18793 5318 1 20 . 1 1 97 97 PHE C C 97 175.163 175.163 176.752 -1.589 18793 5319 1 20 . 1 1 97 97 PHE CA C 97 61.888 61.888 60.591 1.297 18793 5320 1 20 . 1 1 97 97 PHE H H 97 7.939 7.939 8.749 -0.810 18793 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 54 2.920 -0.923 2.796 18793 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 18793 3 1 1 "Average Difference" C 54 0.847 -0.193 0.833 18793 4 1 1 "Average Difference" CA 54 1.830 0.756 1.682 18793 5 1 1 "Average Difference" CB 50 1.680 1.142 1.245 18793 6 1 1 "Average Difference" HN 54 0.446 -0.026 0.450 18793 7 1 2 "Average Difference" N 54 2.938 -0.876 2.831 18793 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 18793 9 1 2 "Average Difference" C 54 0.905 0.015 0.913 18793 10 1 2 "Average Difference" CA 54 2.047 0.922 1.844 18793 11 1 2 "Average Difference" CB 50 1.505 1.101 1.036 18793 12 1 2 "Average Difference" HN 54 0.477 0.000 0.482 18793 13 1 3 "Average Difference" N 54 3.086 -1.085 2.917 18793 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 18793 15 1 3 "Average Difference" C 54 0.943 0.190 0.932 18793 16 1 3 "Average Difference" CA 54 1.893 0.949 1.654 18793 17 1 3 "Average Difference" CB 50 1.640 1.303 1.006 18793 18 1 3 "Average Difference" HN 54 0.474 0.064 0.474 18793 19 1 4 "Average Difference" N 54 2.851 -0.458 2.841 18793 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 18793 21 1 4 "Average Difference" C 54 1.007 0.049 1.015 18793 22 1 4 "Average Difference" CA 54 1.921 0.987 1.664 18793 23 1 4 "Average Difference" CB 50 1.665 1.200 1.166 18793 24 1 4 "Average Difference" HN 54 0.476 0.057 0.477 18793 25 1 5 "Average Difference" N 54 3.076 -0.915 2.964 18793 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 18793 27 1 5 "Average Difference" C 54 0.940 -0.091 0.945 18793 28 1 5 "Average Difference" CA 54 2.029 0.924 1.823 18793 29 1 5 "Average Difference" CB 50 1.508 1.075 1.069 18793 30 1 5 "Average Difference" HN 54 0.517 0.019 0.521 18793 31 1 6 "Average Difference" N 54 3.185 -0.972 3.061 18793 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 18793 33 1 6 "Average Difference" C 54 0.738 0.004 0.745 18793 34 1 6 "Average Difference" CA 54 1.910 0.880 1.711 18793 35 1 6 "Average Difference" CB 50 1.605 1.042 1.233 18793 36 1 6 "Average Difference" HN 54 0.463 0.059 0.463 18793 37 1 7 "Average Difference" N 54 3.515 -1.353 3.275 18793 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 18793 39 1 7 "Average Difference" C 54 0.932 0.076 0.938 18793 40 1 7 "Average Difference" CA 54 2.039 0.981 1.804 18793 41 1 7 "Average Difference" CB 50 1.644 1.091 1.243 18793 42 1 7 "Average Difference" HN 54 0.480 0.023 0.483 18793 43 1 8 "Average Difference" N 54 2.579 -0.701 2.505 18793 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 18793 45 1 8 "Average Difference" C 54 0.809 -0.055 0.815 18793 46 1 8 "Average Difference" CA 54 2.001 0.942 1.782 18793 47 1 8 "Average Difference" CB 50 1.512 1.181 0.954 18793 48 1 8 "Average Difference" HN 54 0.485 -0.049 0.487 18793 49 1 9 "Average Difference" N 54 2.730 -0.924 2.593 18793 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 18793 51 1 9 "Average Difference" C 54 0.923 -0.050 0.930 18793 52 1 9 "Average Difference" CA 54 1.650 0.837 1.435 18793 53 1 9 "Average Difference" CB 50 1.564 1.068 1.155 18793 54 1 9 "Average Difference" HN 54 0.452 -0.056 0.452 18793 55 1 10 "Average Difference" N 54 2.737 -0.737 2.660 18793 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 18793 57 1 10 "Average Difference" C 54 0.910 0.104 0.913 18793 58 1 10 "Average Difference" CA 54 1.871 0.985 1.606 18793 59 1 10 "Average Difference" CB 50 1.636 1.204 1.119 18793 60 1 10 "Average Difference" HN 54 0.518 0.022 0.522 18793 61 1 11 "Average Difference" N 54 3.111 -0.954 2.989 18793 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 18793 63 1 11 "Average Difference" C 54 0.847 -0.070 0.852 18793 64 1 11 "Average Difference" CA 54 1.979 0.785 1.834 18793 65 1 11 "Average Difference" CB 50 1.538 0.919 1.246 18793 66 1 11 "Average Difference" HN 54 0.586 -0.081 0.586 18793 67 1 12 "Average Difference" N 54 3.120 -1.060 2.962 18793 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 18793 69 1 12 "Average Difference" C 54 0.938 -0.079 0.944 18793 70 1 12 "Average Difference" CA 54 2.113 0.893 1.933 18793 71 1 12 "Average Difference" CB 50 1.577 1.087 1.155 18793 72 1 12 "Average Difference" HN 54 0.495 -0.015 0.499 18793 73 1 13 "Average Difference" N 54 2.583 -0.990 2.408 18793 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 18793 75 1 13 "Average Difference" C 54 0.930 0.154 0.925 18793 76 1 13 "Average Difference" CA 54 1.862 0.816 1.690 18793 77 1 13 "Average Difference" CB 50 1.626 1.067 1.239 18793 78 1 13 "Average Difference" HN 54 0.493 -0.069 0.492 18793 79 1 14 "Average Difference" N 54 2.763 -1.051 2.579 18793 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 18793 81 1 14 "Average Difference" C 54 0.872 -0.112 0.873 18793 82 1 14 "Average Difference" CA 54 1.931 0.769 1.788 18793 83 1 14 "Average Difference" CB 50 1.593 1.162 1.100 18793 84 1 14 "Average Difference" HN 54 0.498 -0.013 0.503 18793 85 1 15 "Average Difference" N 54 2.800 -1.037 2.625 18793 86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 18793 87 1 15 "Average Difference" C 54 0.868 -0.148 0.864 18793 88 1 15 "Average Difference" CA 54 1.955 0.710 1.838 18793 89 1 15 "Average Difference" CB 50 1.701 1.325 1.077 18793 90 1 15 "Average Difference" HN 54 0.557 -0.097 0.554 18793 91 1 16 "Average Difference" N 54 2.696 -0.597 2.654 18793 92 1 16 "Average Difference" HA 0 0.000 0.000 0.000 18793 93 1 16 "Average Difference" C 54 0.885 -0.040 0.892 18793 94 1 16 "Average Difference" CA 54 1.853 0.836 1.669 18793 95 1 16 "Average Difference" CB 50 1.579 1.194 1.044 18793 96 1 16 "Average Difference" HN 54 0.488 0.085 0.485 18793 97 1 17 "Average Difference" N 54 2.826 -0.871 2.714 18793 98 1 17 "Average Difference" HA 0 0.000 0.000 0.000 18793 99 1 17 "Average Difference" C 54 0.891 -0.008 0.900 18793 100 1 17 "Average Difference" CA 54 1.843 0.867 1.642 18793 101 1 17 "Average Difference" CB 50 1.648 1.256 1.078 18793 102 1 17 "Average Difference" HN 54 0.469 0.041 0.472 18793 103 1 18 "Average Difference" N 54 3.600 -1.190 3.430 18793 104 1 18 "Average Difference" HA 0 0.000 0.000 0.000 18793 105 1 18 "Average Difference" C 54 0.914 -0.098 0.917 18793 106 1 18 "Average Difference" CA 54 1.870 0.823 1.695 18793 107 1 18 "Average Difference" CB 50 1.738 1.341 1.116 18793 108 1 18 "Average Difference" HN 54 0.449 0.068 0.448 18793 109 1 19 "Average Difference" N 54 3.427 -0.814 3.360 18793 110 1 19 "Average Difference" HA 0 0.000 0.000 0.000 18793 111 1 19 "Average Difference" C 54 0.891 0.017 0.899 18793 112 1 19 "Average Difference" CA 54 1.959 0.659 1.863 18793 113 1 19 "Average Difference" CB 50 1.505 0.993 1.143 18793 114 1 19 "Average Difference" HN 54 0.575 -0.073 0.576 18793 115 1 20 "Average Difference" N 54 3.068 -1.009 2.925 18793 116 1 20 "Average Difference" HA 0 0.000 0.000 0.000 18793 117 1 20 "Average Difference" C 54 0.991 -0.036 0.999 18793 118 1 20 "Average Difference" CA 54 1.828 0.841 1.638 18793 119 1 20 "Average Difference" CB 50 1.623 1.262 1.031 18793 120 1 20 "Average Difference" HN 54 0.507 -0.057 0.509 18793 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 18793 _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 1 1 MET N N 1 120.233 120.233 118.797 1.436 18793 2 1 . 1 1 1 1 MET C C 1 176.466 176.466 175.821 0.645 18793 3 1 . 1 1 1 1 MET CA C 1 54.999 54.999 56.351 -1.352 18793 4 1 . 1 1 1 1 MET CB C 1 31.334 31.334 32.876 -1.542 18793 5 1 . 1 1 1 1 MET H H 1 8.288 8.288 8.453 -0.165 18793 6 1 . 1 1 2 2 SER N N 2 117.150 117.150 112.550 4.600 18793 7 1 . 1 1 2 2 SER C C 2 175.585 175.585 175.112 0.473 18793 8 1 . 1 1 2 2 SER CA C 2 58.221 58.221 58.513 -0.292 18793 9 1 . 1 1 2 2 SER CB C 2 62.221 62.221 63.163 -0.942 18793 10 1 . 1 1 2 2 SER H H 2 8.191 8.191 8.253 -0.062 18793 11 1 . 1 1 3 3 GLN N N 3 122.952 122.952 121.738 1.214 18793 12 1 . 1 1 3 3 GLN C C 3 176.703 176.703 177.663 -0.960 18793 13 1 . 1 1 3 3 GLN CA C 3 55.888 55.888 59.025 -3.137 18793 14 1 . 1 1 3 3 GLN CB C 3 27.445 27.445 28.678 -1.233 18793 15 1 . 1 1 3 3 GLN H H 3 8.334 8.334 8.425 -0.091 18793 16 1 . 1 1 4 4 SER N N 4 117.024 117.024 114.212 2.812 18793 17 1 . 1 1 4 4 SER C C 4 176.059 176.059 176.289 -0.230 18793 18 1 . 1 1 4 4 SER CA C 4 59.443 59.443 60.639 -1.196 18793 19 1 . 1 1 4 4 SER CB C 4 61.888 61.888 62.710 -0.822 18793 20 1 . 1 1 4 4 SER H H 4 8.300 8.300 8.495 -0.195 18793 21 1 . 1 1 5 5 ASN N N 5 122.025 122.025 120.257 1.768 18793 22 1 . 1 1 5 5 ASN C C 5 177.049 177.049 177.329 -0.280 18793 23 1 . 1 1 5 5 ASN CA C 5 55.110 55.110 56.126 -1.016 18793 24 1 . 1 1 5 5 ASN CB C 5 37.454 37.454 38.242 -0.789 18793 25 1 . 1 1 5 5 ASN H H 5 8.517 8.517 8.511 0.006 18793 26 1 . 1 1 6 6 ARG N N 6 119.117 119.117 120.369 -1.252 18793 27 1 . 1 1 6 6 ARG C C 6 177.144 177.144 178.483 -1.339 18793 28 1 . 1 1 6 6 ARG CA C 6 57.366 57.366 59.783 -2.417 18793 29 1 . 1 1 6 6 ARG CB C 6 28.348 28.348 30.260 -1.912 18793 30 1 . 1 1 6 6 ARG H H 6 8.194 8.194 7.763 0.431 18793 31 1 . 1 1 7 7 GLU N N 7 117.987 117.987 119.516 -1.529 18793 32 1 . 1 1 7 7 GLU C C 7 179.178 179.178 178.785 0.393 18793 33 1 . 1 1 7 7 GLU CA C 7 58.332 58.332 59.252 -0.920 18793 34 1 . 1 1 7 7 GLU CB C 7 28.112 28.112 29.402 -1.290 18793 35 1 . 1 1 7 7 GLU H H 7 7.902 7.902 7.792 0.110 18793 36 1 . 1 1 8 8 LEU N N 8 120.359 120.359 121.425 -1.066 18793 37 1 . 1 1 8 8 LEU C C 8 178.161 178.161 178.524 -0.363 18793 38 1 . 1 1 8 8 LEU CA C 8 56.999 56.999 58.329 -1.330 18793 39 1 . 1 1 8 8 LEU CB C 8 40.222 40.222 42.161 -1.939 18793 40 1 . 1 1 8 8 LEU H H 8 7.690 7.690 8.015 -0.325 18793 41 1 . 1 1 9 9 VAL N N 9 117.926 117.926 117.521 0.405 18793 42 1 . 1 1 9 9 VAL C C 9 176.839 176.839 177.958 -1.119 18793 43 1 . 1 1 9 9 VAL CA C 9 66.554 66.554 66.373 0.181 18793 44 1 . 1 1 9 9 VAL CB C 9 31.001 31.001 31.048 -0.048 18793 45 1 . 1 1 9 9 VAL H H 9 7.512 7.512 7.924 -0.412 18793 46 1 . 1 1 10 10 VAL N N 10 117.730 117.730 120.864 -3.134 18793 47 1 . 1 1 10 10 VAL C C 10 178.364 178.364 177.978 0.386 18793 48 1 . 1 1 10 10 VAL CA C 10 65.999 65.999 66.856 -0.857 18793 49 1 . 1 1 10 10 VAL CB C 10 30.112 30.112 30.912 -0.800 18793 50 1 . 1 1 10 10 VAL H H 10 8.254 8.254 7.761 0.493 18793 51 1 . 1 1 11 11 ASP N N 11 121.346 121.346 121.010 0.336 18793 52 1 . 1 1 11 11 ASP C C 11 177.212 177.212 178.595 -1.383 18793 53 1 . 1 1 11 11 ASP CA C 11 57.999 57.999 57.503 0.496 18793 54 1 . 1 1 11 11 ASP CB C 11 42.111 42.111 40.833 1.278 18793 55 1 . 1 1 11 11 ASP H H 11 8.029 8.029 8.374 -0.345 18793 56 1 . 1 1 12 12 PHE N N 12 120.632 120.632 119.805 0.827 18793 57 1 . 1 1 12 12 PHE C C 12 177.890 177.890 177.773 0.117 18793 58 1 . 1 1 12 12 PHE CA C 12 62.110 62.110 61.274 0.836 18793 59 1 . 1 1 12 12 PHE CB C 12 38.778 38.778 38.979 -0.201 18793 60 1 . 1 1 12 12 PHE H H 12 8.120 8.120 7.876 0.244 18793 61 1 . 1 1 13 13 LEU N N 13 117.068 117.068 120.613 -3.546 18793 62 1 . 1 1 13 13 LEU C C 13 179.280 179.280 178.973 0.307 18793 63 1 . 1 1 13 13 LEU CA C 13 57.555 57.555 58.115 -0.560 18793 64 1 . 1 1 13 13 LEU CB C 13 40.222 40.222 41.066 -0.844 18793 65 1 . 1 1 13 13 LEU H H 13 8.770 8.770 8.510 0.260 18793 66 1 . 1 1 14 14 SER N N 14 114.398 114.398 114.930 -0.532 18793 67 1 . 1 1 14 14 SER C C 14 176.941 176.941 176.822 0.119 18793 68 1 . 1 1 14 14 SER CA C 14 61.777 61.777 61.782 -0.005 18793 69 1 . 1 1 14 14 SER CB C 14 60.824 60.824 62.939 -2.115 18793 70 1 . 1 1 14 14 SER H H 14 8.407 8.407 8.477 -0.070 18793 71 1 . 1 1 15 15 TYR N N 15 125.435 125.435 123.051 2.384 18793 72 1 . 1 1 15 15 TYR C C 15 177.991 177.991 177.630 0.361 18793 73 1 . 1 1 15 15 TYR CA C 15 59.274 59.274 61.443 -2.169 18793 74 1 . 1 1 15 15 TYR CB C 15 36.457 36.457 38.422 -1.965 18793 75 1 . 1 1 15 15 TYR H H 15 8.129 8.129 7.909 0.220 18793 76 1 . 1 1 16 16 LYS N N 16 120.549 120.549 119.420 1.129 18793 77 1 . 1 1 16 16 LYS C C 16 180.127 180.127 179.358 0.769 18793 78 1 . 1 1 16 16 LYS CA C 16 56.221 56.221 58.775 -2.554 18793 79 1 . 1 1 16 16 LYS CB C 16 28.223 28.223 32.219 -3.996 18793 80 1 . 1 1 16 16 LYS H H 16 8.150 8.150 7.811 0.339 18793 81 1 . 1 1 17 17 LEU N N 17 118.843 118.843 119.771 -0.928 18793 82 1 . 1 1 17 17 LEU C C 17 179.653 179.653 178.622 1.031 18793 83 1 . 1 1 17 17 LEU CA C 17 57.777 57.777 57.356 0.421 18793 84 1 . 1 1 17 17 LEU CB C 17 39.667 39.667 41.850 -2.183 18793 85 1 . 1 1 17 17 LEU H H 17 8.581 8.581 8.434 0.147 18793 86 1 . 1 1 18 18 SER N N 18 117.814 117.814 114.936 2.878 18793 87 1 . 1 1 18 18 SER C C 18 178.297 178.297 176.397 1.900 18793 88 1 . 1 1 18 18 SER CA C 18 60.492 60.492 61.355 -0.863 18793 89 1 . 1 1 18 18 SER CB C 18 61.600 61.600 62.780 -1.180 18793 90 1 . 1 1 18 18 SER H H 18 8.272 8.272 8.210 0.062 18793 91 1 . 1 1 19 19 GLN N N 19 123.182 123.182 119.991 3.191 18793 92 1 . 1 1 19 19 GLN C C 19 176.941 176.941 177.411 -0.470 18793 93 1 . 1 1 19 19 GLN CA C 19 57.666 57.666 58.167 -0.502 18793 94 1 . 1 1 19 19 GLN CB C 19 27.334 27.334 28.812 -1.478 18793 95 1 . 1 1 19 19 GLN H H 19 7.562 7.562 7.651 -0.089 18793 96 1 . 1 1 20 20 LYS N N 20 116.732 116.732 117.133 -0.401 18793 97 1 . 1 1 20 20 LYS C C 20 175.178 175.178 176.414 -1.236 18793 98 1 . 1 1 20 20 LYS CA C 20 52.999 52.999 56.229 -3.230 18793 99 1 . 1 1 20 20 LYS CB C 20 31.445 31.445 33.737 -2.292 18793 100 1 . 1 1 20 20 LYS H H 20 7.114 7.114 7.780 -0.666 18793 101 1 . 1 1 21 21 GLY N N 21 105.804 105.804 106.665 -0.861 18793 102 1 . 1 1 21 21 GLY C C 21 173.652 173.652 173.406 0.246 18793 103 1 . 1 1 21 21 GLY CA C 21 44.210 44.210 45.018 -0.808 18793 104 1 . 1 1 21 21 GLY H H 21 7.451 7.451 7.643 -0.192 18793 105 1 . 1 1 22 22 TYR N N 22 120.097 120.097 119.139 0.958 18793 106 1 . 1 1 22 22 TYR C C 22 174.737 174.737 173.645 1.092 18793 107 1 . 1 1 22 22 TYR CA C 22 54.666 54.666 57.007 -2.341 18793 108 1 . 1 1 22 22 TYR CB C 22 39.667 39.667 40.698 -1.031 18793 109 1 . 1 1 22 22 TYR H H 22 7.769 7.769 7.584 0.186 18793 110 1 . 1 1 23 23 SER N N 23 115.275 115.275 117.333 -2.058 18793 111 1 . 1 1 23 23 SER C C 23 174.262 174.262 174.350 -0.088 18793 112 1 . 1 1 23 23 SER CA C 23 55.888 55.888 56.689 -0.801 18793 113 1 . 1 1 23 23 SER CB C 23 63.888 63.888 64.968 -1.080 18793 114 1 . 1 1 23 23 SER H H 23 8.483 8.483 8.255 0.228 18793 115 1 . 1 1 24 24 TRP N N 24 127.826 127.826 125.064 2.762 18793 116 1 . 1 1 24 24 TRP C C 24 176.669 176.669 176.350 0.319 18793 117 1 . 1 1 24 24 TRP CA C 24 59.385 59.385 59.446 -0.061 18793 118 1 . 1 1 24 24 TRP CB C 24 29.479 29.479 29.311 0.168 18793 119 1 . 1 1 24 24 TRP H H 24 8.928 8.928 8.830 0.098 18793 120 1 . 1 1 25 25 SER N N 25 111.710 111.710 113.588 -1.879 18793 121 1 . 1 1 25 25 SER C C 25 174.974 174.974 174.621 0.353 18793 122 1 . 1 1 25 25 SER CA C 25 59.332 59.332 59.145 0.187 18793 123 1 . 1 1 25 25 SER CB C 25 61.888 61.888 63.397 -1.509 18793 124 1 . 1 1 25 25 SER H H 25 8.146 8.146 7.743 0.403 18793 125 1 . 1 1 26 26 GLN N N 26 119.553 119.553 117.687 1.866 18793 126 1 . 1 1 26 26 GLN C C 26 175.991 175.991 175.116 0.875 18793 127 1 . 1 1 26 26 GLN CA C 26 56.332 56.332 56.831 -0.499 18793 128 1 . 1 1 26 26 GLN CB C 26 27.112 27.112 27.614 -0.502 18793 129 1 . 1 1 26 26 GLN H H 26 7.319 7.319 7.846 -0.527 18793 130 1 . 1 1 27 27 PHE N N 27 116.264 116.264 116.345 -0.081 18793 131 1 . 1 1 27 27 PHE C C 27 174.635 174.635 174.791 -0.156 18793 132 1 . 1 1 27 27 PHE CA C 27 55.555 55.555 58.734 -3.179 18793 133 1 . 1 1 27 27 PHE CB C 27 38.556 38.556 38.716 -0.160 18793 134 1 . 1 1 27 27 PHE H H 27 7.109 7.109 8.017 -0.908 18793 135 1 . 1 1 28 28 SER N N 28 114.011 114.011 114.328 -0.317 18793 136 1 . 1 1 28 28 SER C C 28 173.313 173.313 173.828 -0.515 18793 137 1 . 1 1 28 28 SER CA C 28 56.555 56.555 59.051 -2.496 18793 138 1 . 1 1 28 28 SER CB C 28 62.665 62.665 63.750 -1.085 18793 139 1 . 1 1 28 28 SER H H 28 7.058 7.058 7.981 -0.923 18793 140 1 . 1 1 29 29 ASP N N 29 123.008 123.008 121.533 1.475 18793 141 1 . 1 1 29 29 ASP C C 29 175.991 175.991 176.201 -0.210 18793 142 1 . 1 1 29 29 ASP CA C 29 53.333 53.333 55.188 -1.855 18793 143 1 . 1 1 29 29 ASP CB C 29 39.889 39.889 40.969 -1.080 18793 144 1 . 1 1 29 29 ASP H H 29 8.220 8.220 8.452 -0.232 18793 145 1 . 1 1 30 30 VAL N N 30 119.570 119.570 117.121 2.449 18793 146 1 . 1 1 30 30 VAL C C 30 175.788 175.788 175.519 0.269 18793 147 1 . 1 1 30 30 VAL CA C 30 61.332 61.332 63.334 -2.002 18793 148 1 . 1 1 30 30 VAL CB C 30 31.889 31.889 31.375 0.514 18793 149 1 . 1 1 30 30 VAL H H 30 7.823 7.823 8.101 -0.278 18793 150 1 . 1 1 31 31 GLU N N 31 124.976 124.976 119.342 5.634 18793 151 1 . 1 1 31 31 GLU C C 31 176.229 176.229 176.099 0.130 18793 152 1 . 1 1 31 31 GLU CA C 31 55.397 55.397 57.145 -1.748 18793 153 1 . 1 1 31 31 GLU CB C 31 28.704 28.704 29.659 -0.955 18793 154 1 . 1 1 31 31 GLU H H 31 8.390 8.390 8.277 0.113 18793 155 1 . 1 1 32 32 GLU N N 32 122.629 122.629 117.870 4.759 18793 156 1 . 1 1 32 32 GLU C C 32 175.788 175.788 176.059 -0.271 18793 157 1 . 1 1 32 32 GLU CA C 32 55.444 55.444 57.045 -1.601 18793 158 1 . 1 1 32 32 GLU CB C 32 29.001 29.001 29.607 -0.606 18793 159 1 . 1 1 32 32 GLU H H 32 8.307 8.307 8.376 -0.069 18793 160 1 . 1 1 33 33 ASN N N 33 119.996 119.996 116.954 3.042 18793 161 1 . 1 1 33 33 ASN C C 33 174.601 174.601 174.900 -0.299 18793 162 1 . 1 1 33 33 ASN CA C 33 52.555 52.555 53.927 -1.372 18793 163 1 . 1 1 33 33 ASN CB C 33 37.778 37.778 38.409 -0.631 18793 164 1 . 1 1 33 33 ASN H H 33 8.386 8.386 8.305 0.081 18793 165 1 . 1 1 34 34 ARG N N 34 122.424 122.424 118.769 3.655 18793 166 1 . 1 1 34 34 ARG C C 34 176.195 176.195 175.768 0.427 18793 167 1 . 1 1 34 34 ARG CA C 34 55.332 55.332 56.740 -1.408 18793 168 1 . 1 1 34 34 ARG CB C 34 29.334 29.334 30.374 -1.040 18793 169 1 . 1 1 34 34 ARG H H 34 8.211 8.211 8.223 -0.012 18793 170 1 . 1 1 35 35 THR N N 35 116.319 116.319 113.399 2.920 18793 171 1 . 1 1 35 35 THR C C 35 174.093 174.093 174.561 -0.468 18793 172 1 . 1 1 35 35 THR CA C 35 60.999 60.999 62.997 -1.998 18793 173 1 . 1 1 35 35 THR CB C 35 68.887 68.887 69.163 -0.276 18793 174 1 . 1 1 35 35 THR H H 35 8.143 8.143 8.153 -0.010 18793 175 1 . 1 1 36 36 GLU N N 36 123.405 123.405 120.484 2.921 18793 176 1 . 1 1 36 36 GLU C C 36 175.279 175.279 175.580 -0.301 18793 177 1 . 1 1 36 36 GLU CA C 36 55.397 55.397 56.872 -1.475 18793 178 1 . 1 1 36 36 GLU CB C 36 28.815 28.815 29.602 -0.787 18793 179 1 . 1 1 36 36 GLU H H 36 8.270 8.270 8.337 -0.067 18793 180 1 . 1 1 37 37 ALA N N 37 126.500 126.500 123.451 3.049 18793 181 1 . 1 1 37 37 ALA C C 37 175.279 175.279 176.030 -0.751 18793 182 1 . 1 1 37 37 ALA CA C 37 49.638 49.638 50.782 -1.144 18793 183 1 . 1 1 37 37 ALA CB C 37 17.074 17.074 18.985 -1.911 18793 184 1 . 1 1 37 37 ALA H H 37 8.170 8.170 7.883 0.287 18793 185 1 . 1 1 39 39 GLU N N 39 121.397 121.397 118.852 2.545 18793 186 1 . 1 1 39 39 GLU C C 39 176.771 176.771 176.238 0.533 18793 187 1 . 1 1 39 39 GLU CA C 39 55.999 55.999 56.787 -0.788 18793 188 1 . 1 1 39 39 GLU CB C 39 29.001 29.001 30.203 -1.202 18793 189 1 . 1 1 39 39 GLU H H 39 8.480 8.480 8.450 0.030 18793 190 1 . 1 1 40 40 GLY N N 40 110.587 110.587 107.709 2.878 18793 191 1 . 1 1 40 40 GLY C C 40 174.330 174.330 174.464 -0.134 18793 192 1 . 1 1 40 40 GLY CA C 40 44.555 44.555 45.440 -0.885 18793 193 1 . 1 1 40 40 GLY H H 40 8.388 8.388 8.262 0.126 18793 194 1 . 1 1 41 41 THR N N 41 113.357 113.357 112.282 1.075 18793 195 1 . 1 1 41 41 THR C C 41 175.279 175.279 174.123 1.156 18793 196 1 . 1 1 41 41 THR CA C 41 61.332 61.332 62.563 -1.231 18793 197 1 . 1 1 41 41 THR CB C 41 68.887 68.887 69.223 -0.336 18793 198 1 . 1 1 41 41 THR H H 41 8.072 8.072 8.034 0.038 18793 199 1 . 1 1 42 42 GLU N N 42 123.483 123.483 119.323 4.160 18793 200 1 . 1 1 42 42 GLU C C 42 177.076 177.076 176.606 0.470 18793 201 1 . 1 1 42 42 GLU CA C 42 56.505 56.505 57.329 -0.824 18793 202 1 . 1 1 42 42 GLU CB C 42 28.040 28.040 30.365 -2.325 18793 203 1 . 1 1 42 42 GLU H H 42 8.741 8.741 8.198 0.543 18793 204 1 . 1 1 43 43 SER N N 43 115.380 115.380 115.599 -0.219 18793 205 1 . 1 1 43 43 SER C C 43 175.483 175.483 174.786 0.697 18793 206 1 . 1 1 43 43 SER CA C 43 57.999 57.999 60.256 -2.257 18793 207 1 . 1 1 43 43 SER CB C 43 62.221 62.221 63.569 -1.348 18793 208 1 . 1 1 43 43 SER H H 43 8.297 8.297 8.348 -0.051 18793 209 1 . 1 1 86 86 VAL N N 86 118.964 118.964 121.506 -2.542 18793 210 1 . 1 1 86 86 VAL C C 86 176.466 176.466 176.483 -0.017 18793 211 1 . 1 1 86 86 VAL CA C 86 64.999 64.999 65.421 -0.422 18793 212 1 . 1 1 86 86 VAL CB C 86 30.112 30.112 32.050 -1.938 18793 213 1 . 1 1 86 86 VAL H H 86 7.342 7.342 8.266 -0.924 18793 214 1 . 1 1 87 87 LYS N N 87 118.061 118.061 119.194 -1.133 18793 215 1 . 1 1 87 87 LYS C C 87 178.669 178.669 178.754 -0.085 18793 216 1 . 1 1 87 87 LYS CA C 87 58.443 58.443 59.525 -1.082 18793 217 1 . 1 1 87 87 LYS CB C 87 30.778 30.778 32.113 -1.335 18793 218 1 . 1 1 87 87 LYS H H 87 7.312 7.312 7.944 -0.632 18793 219 1 . 1 1 88 88 GLN N N 88 116.417 116.417 119.030 -2.613 18793 220 1 . 1 1 88 88 GLN C C 88 177.212 177.212 177.986 -0.774 18793 221 1 . 1 1 88 88 GLN CA C 88 57.888 57.888 58.462 -0.574 18793 222 1 . 1 1 88 88 GLN CB C 88 26.890 26.890 28.550 -1.660 18793 223 1 . 1 1 88 88 GLN H H 88 7.924 7.924 7.846 0.078 18793 224 1 . 1 1 89 89 ALA N N 89 120.666 120.666 122.786 -2.120 18793 225 1 . 1 1 89 89 ALA C C 89 179.076 179.076 179.415 -0.339 18793 226 1 . 1 1 89 89 ALA CA C 89 53.999 53.999 54.844 -0.845 18793 227 1 . 1 1 89 89 ALA CB C 89 17.113 17.113 18.064 -0.951 18793 228 1 . 1 1 89 89 ALA H H 89 7.605 7.605 8.231 -0.626 18793 229 1 . 1 1 90 90 LEU N N 90 119.883 119.883 118.823 1.060 18793 230 1 . 1 1 90 90 LEU C C 90 179.178 179.178 178.661 0.517 18793 231 1 . 1 1 90 90 LEU CA C 90 57.332 57.332 57.767 -0.435 18793 232 1 . 1 1 90 90 LEU CB C 90 40.889 40.889 41.501 -0.611 18793 233 1 . 1 1 90 90 LEU H H 90 8.283 8.283 7.928 0.355 18793 234 1 . 1 1 91 91 ARG N N 91 118.692 118.692 118.662 0.030 18793 235 1 . 1 1 91 91 ARG C C 91 178.432 178.432 178.567 -0.135 18793 236 1 . 1 1 91 91 ARG CA C 91 59.666 59.666 59.142 0.524 18793 237 1 . 1 1 91 91 ARG CB C 91 29.334 29.334 29.877 -0.543 18793 238 1 . 1 1 91 91 ARG H H 91 8.011 8.011 7.532 0.479 18793 239 1 . 1 1 92 92 GLU N N 92 116.799 116.799 119.100 -2.301 18793 240 1 . 1 1 92 92 GLU C C 92 179.788 179.788 178.820 0.968 18793 241 1 . 1 1 92 92 GLU CA C 92 58.110 58.110 59.140 -1.030 18793 242 1 . 1 1 92 92 GLU CB C 92 27.890 27.890 29.487 -1.597 18793 243 1 . 1 1 92 92 GLU H H 92 7.802 7.802 7.816 -0.014 18793 244 1 . 1 1 93 93 ALA N N 93 124.583 124.583 120.369 4.213 18793 245 1 . 1 1 93 93 ALA C C 93 180.161 180.161 179.889 0.272 18793 246 1 . 1 1 93 93 ALA CA C 93 54.290 54.290 54.206 0.084 18793 247 1 . 1 1 93 93 ALA CB C 93 18.071 18.071 18.600 -0.529 18793 248 1 . 1 1 93 93 ALA H H 93 8.795 8.795 8.141 0.654 18793 249 1 . 1 1 94 94 GLY N N 94 107.341 107.341 106.430 0.911 18793 250 1 . 1 1 94 94 GLY C C 94 175.673 175.673 175.188 0.485 18793 251 1 . 1 1 94 94 GLY CA C 94 46.333 46.333 46.977 -0.644 18793 252 1 . 1 1 94 94 GLY H H 94 8.949 8.949 8.027 0.922 18793 253 1 . 1 1 95 95 ASP N N 95 122.494 122.494 118.447 4.047 18793 254 1 . 1 1 95 95 ASP C C 95 175.822 175.822 176.656 -0.834 18793 255 1 . 1 1 95 95 ASP CA C 95 62.448 62.448 54.570 7.878 18793 256 1 . 1 1 95 95 ASP CB C 95 38.604 38.604 41.358 -2.754 18793 257 1 . 1 1 95 95 ASP H H 95 8.129 8.129 7.757 0.372 18793 258 1 . 1 1 96 96 GLU N N 96 123.198 123.198 119.724 3.474 18793 259 1 . 1 1 96 96 GLU C C 96 177.367 177.367 177.442 -0.075 18793 260 1 . 1 1 96 96 GLU CA C 96 57.391 57.391 57.986 -0.595 18793 261 1 . 1 1 96 96 GLU CB C 96 27.929 27.929 30.064 -2.135 18793 262 1 . 1 1 96 96 GLU H H 96 8.691 8.691 7.889 0.802 18793 263 1 . 1 1 97 97 PHE N N 97 113.232 113.232 117.583 -4.351 18793 264 1 . 1 1 97 97 PHE C C 97 175.163 175.163 176.643 -1.480 18793 265 1 . 1 1 97 97 PHE CA C 97 61.888 61.888 60.032 1.856 18793 266 1 . 1 1 97 97 PHE H H 97 7.939 7.939 7.890 0.049 18793 stop_ save_