data_19800 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19800 _Entry.PDB_ID 2MKY 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 19800 _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 20 20 ASP N N 20 121.855 121.855 119.716 2.139 19800 2 1 1 . 1 1 20 20 ASP HA H 20 4.824 4.824 4.949 -0.125 19800 3 1 1 . 1 1 20 20 ASP C C 20 176.378 176.378 175.357 1.021 19800 4 1 1 . 1 1 20 20 ASP CA C 20 54.063 54.063 53.061 1.002 19800 5 1 1 . 1 1 20 20 ASP CB C 20 41.753 41.753 41.727 0.026 19800 6 1 1 . 1 1 21 21 LYS N N 21 121.556 121.556 123.147 -1.591 19800 7 1 1 . 1 1 21 21 LYS HA H 21 4.493 4.493 4.647 -0.154 19800 8 1 1 . 1 1 21 21 LYS C C 21 175.887 175.887 175.630 0.257 19800 9 1 1 . 1 1 21 21 LYS CA C 21 54.395 54.395 54.615 -0.220 19800 10 1 1 . 1 1 21 21 LYS CB C 21 35.006 35.006 36.090 -1.084 19800 11 1 1 . 1 1 22 22 ASP N N 22 123.097 123.097 122.061 1.036 19800 12 1 1 . 1 1 22 22 ASP HA H 22 4.558 4.558 4.583 -0.025 19800 13 1 1 . 1 1 22 22 ASP C C 22 175.402 175.402 175.615 -0.213 19800 14 1 1 . 1 1 22 22 ASP CA C 22 55.514 55.514 54.525 0.989 19800 15 1 1 . 1 1 22 22 ASP CB C 22 40.854 40.854 40.071 0.784 19800 16 1 1 . 1 1 23 23 LEU N N 23 126.265 126.265 124.935 1.330 19800 17 1 1 . 1 1 23 23 LEU HA H 23 4.680 4.680 4.426 0.254 19800 18 1 1 . 1 1 23 23 LEU C C 23 176.338 176.338 175.451 0.887 19800 19 1 1 . 1 1 23 23 LEU CA C 23 56.204 56.204 55.653 0.551 19800 20 1 1 . 1 1 23 23 LEU CB C 23 45.211 45.211 43.531 1.680 19800 21 1 1 . 1 1 24 24 LEU N N 24 114.484 114.484 116.234 -1.750 19800 22 1 1 . 1 1 24 24 LEU HA H 24 4.789 4.789 4.618 0.171 19800 23 1 1 . 1 1 24 24 LEU C C 24 174.976 174.976 174.888 0.088 19800 24 1 1 . 1 1 24 24 LEU CA C 24 53.674 53.674 53.757 -0.083 19800 25 1 1 . 1 1 24 24 LEU CB C 24 49.345 49.345 45.331 4.014 19800 26 1 1 . 1 1 25 25 LYS N N 25 118.529 118.529 119.618 -1.089 19800 27 1 1 . 1 1 25 25 LYS HA H 25 4.994 4.994 4.724 0.270 19800 28 1 1 . 1 1 25 25 LYS C C 25 176.242 176.242 176.751 -0.509 19800 29 1 1 . 1 1 25 25 LYS CA C 25 55.210 55.210 55.043 0.167 19800 30 1 1 . 1 1 25 25 LYS CB C 25 35.992 35.992 33.718 2.274 19800 31 1 1 . 1 1 26 26 GLY N N 26 107.756 107.756 112.497 -4.741 19800 32 1 1 . 1 1 26 26 GLY C C 26 176.034 176.034 174.253 1.781 19800 33 1 1 . 1 1 26 26 GLY CA C 26 46.394 46.394 46.126 0.268 19800 34 1 1 . 1 1 27 27 LEU N N 27 120.147 120.147 120.958 -0.811 19800 35 1 1 . 1 1 27 27 LEU HA H 27 4.601 4.601 4.433 0.168 19800 36 1 1 . 1 1 27 27 LEU C C 27 179.874 179.874 176.635 3.239 19800 37 1 1 . 1 1 27 27 LEU CA C 27 54.325 54.325 54.623 -0.298 19800 38 1 1 . 1 1 27 27 LEU CB C 27 43.622 43.622 41.850 1.772 19800 39 1 1 . 1 1 28 28 ASP N N 28 119.966 119.966 124.222 -4.256 19800 40 1 1 . 1 1 28 28 ASP HA H 28 5.096 5.096 4.878 0.218 19800 41 1 1 . 1 1 28 28 ASP C C 28 177.406 177.406 176.944 0.462 19800 42 1 1 . 1 1 28 28 ASP CA C 28 52.835 52.835 54.185 -1.350 19800 43 1 1 . 1 1 28 28 ASP CB C 28 41.180 41.180 43.377 -2.197 19800 44 1 1 . 1 1 29 29 GLN N N 29 118.219 118.219 119.371 -1.152 19800 45 1 1 . 1 1 29 29 GLN HA H 29 2.969 2.969 3.838 -0.869 19800 46 1 1 . 1 1 29 29 GLN C C 29 178.379 178.379 177.844 0.535 19800 47 1 1 . 1 1 29 29 GLN CA C 29 59.978 59.978 59.150 0.828 19800 48 1 1 . 1 1 29 29 GLN CB C 29 28.897 28.897 28.692 0.205 19800 49 1 1 . 1 1 30 30 GLU N N 30 118.429 118.429 117.712 0.717 19800 50 1 1 . 1 1 30 30 GLU HA H 30 3.986 3.986 4.075 -0.089 19800 51 1 1 . 1 1 30 30 GLU C C 30 182.812 182.812 178.817 3.995 19800 52 1 1 . 1 1 30 30 GLU CA C 30 59.730 59.730 58.897 0.833 19800 53 1 1 . 1 1 30 30 GLU CB C 30 28.936 28.936 29.062 -0.126 19800 54 1 1 . 1 1 31 31 GLN N N 31 120.672 120.672 117.635 3.037 19800 55 1 1 . 1 1 31 31 GLN HA H 31 4.068 4.068 4.328 -0.260 19800 56 1 1 . 1 1 31 31 GLN C C 31 180.864 180.864 178.351 2.513 19800 57 1 1 . 1 1 31 31 GLN CA C 31 58.612 58.612 57.248 1.364 19800 58 1 1 . 1 1 31 31 GLN CB C 31 29.844 29.844 28.993 0.851 19800 59 1 1 . 1 1 32 32 ALA N N 32 120.200 120.200 123.716 -3.516 19800 60 1 1 . 1 1 32 32 ALA HA H 32 3.771 3.771 3.991 -0.220 19800 61 1 1 . 1 1 32 32 ALA C C 32 180.339 180.339 178.359 1.980 19800 62 1 1 . 1 1 32 32 ALA CA C 32 55.122 55.122 54.783 0.339 19800 63 1 1 . 1 1 32 32 ALA CB C 32 17.289 17.289 18.056 -0.767 19800 64 1 1 . 1 1 33 33 ASN N N 33 115.507 115.507 116.145 -0.638 19800 65 1 1 . 1 1 33 33 ASN HA H 33 4.292 4.292 4.292 0.000 19800 66 1 1 . 1 1 33 33 ASN C C 33 180.713 180.713 177.004 3.709 19800 67 1 1 . 1 1 33 33 ASN CA C 33 55.479 55.479 56.184 -0.706 19800 68 1 1 . 1 1 33 33 ASN CB C 33 37.104 37.104 38.473 -1.369 19800 69 1 1 . 1 1 34 34 GLU N N 34 122.826 122.826 119.513 3.313 19800 70 1 1 . 1 1 34 34 GLU HA H 34 4.083 4.083 3.962 0.121 19800 71 1 1 . 1 1 34 34 GLU C C 34 180.367 180.367 178.652 1.715 19800 72 1 1 . 1 1 34 34 GLU CA C 34 59.486 59.486 59.107 0.379 19800 73 1 1 . 1 1 34 34 GLU CB C 34 29.370 29.370 29.168 0.202 19800 74 1 1 . 1 1 35 35 VAL N N 35 119.909 119.909 119.665 0.244 19800 75 1 1 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.607 -0.234 19800 76 1 1 . 1 1 35 35 VAL C C 35 179.502 179.502 178.190 1.312 19800 77 1 1 . 1 1 35 35 VAL CA C 35 66.809 66.809 66.065 0.744 19800 78 1 1 . 1 1 35 35 VAL CB C 35 31.000 31.000 31.688 -0.688 19800 79 1 1 . 1 1 36 36 ILE N N 36 118.626 118.626 120.198 -1.572 19800 80 1 1 . 1 1 36 36 ILE HA H 36 3.514 3.514 3.687 -0.173 19800 81 1 1 . 1 1 36 36 ILE C C 36 180.436 180.436 176.854 3.582 19800 82 1 1 . 1 1 36 36 ILE CA C 36 64.355 64.355 63.474 0.881 19800 83 1 1 . 1 1 36 36 ILE CB C 36 36.534 36.534 37.564 -1.030 19800 84 1 1 . 1 1 37 37 ALA N N 37 122.361 122.361 123.151 -0.790 19800 85 1 1 . 1 1 37 37 ALA HA H 37 4.145 4.145 3.971 0.174 19800 86 1 1 . 1 1 37 37 ALA C C 37 183.902 183.902 179.187 4.715 19800 87 1 1 . 1 1 37 37 ALA CA C 37 55.433 55.433 55.395 0.038 19800 88 1 1 . 1 1 37 37 ALA CB C 37 17.807 17.807 17.986 -0.179 19800 89 1 1 . 1 1 38 38 VAL N N 38 120.987 120.987 119.087 1.900 19800 90 1 1 . 1 1 38 38 VAL HA H 38 3.630 3.630 3.670 -0.040 19800 91 1 1 . 1 1 38 38 VAL C C 38 180.529 180.529 177.785 2.744 19800 92 1 1 . 1 1 38 38 VAL CA C 38 66.453 66.453 65.527 0.926 19800 93 1 1 . 1 1 38 38 VAL CB C 38 31.763 31.763 31.928 -0.165 19800 94 1 1 . 1 1 39 39 LEU N N 39 119.408 119.408 119.279 0.129 19800 95 1 1 . 1 1 39 39 LEU HA H 39 3.929 3.929 4.132 -0.203 19800 96 1 1 . 1 1 39 39 LEU C C 39 183.063 183.063 179.469 3.594 19800 97 1 1 . 1 1 39 39 LEU CA C 39 58.544 58.544 57.891 0.653 19800 98 1 1 . 1 1 39 39 LEU CB C 39 39.409 39.409 40.798 -1.389 19800 99 1 1 . 1 1 40 40 GLN N N 40 121.514 121.514 119.821 1.693 19800 100 1 1 . 1 1 40 40 GLN HA H 40 3.928 3.928 4.053 -0.125 19800 101 1 1 . 1 1 40 40 GLN C C 40 183.366 183.366 178.885 4.481 19800 102 1 1 . 1 1 40 40 GLN CA C 40 59.324 59.324 58.539 0.785 19800 103 1 1 . 1 1 40 40 GLN CB C 40 28.254 28.254 28.685 -0.431 19800 104 1 1 . 1 1 41 41 MET N N 41 119.672 119.672 119.526 0.146 19800 105 1 1 . 1 1 41 41 MET HA H 41 4.032 4.032 4.088 -0.056 19800 106 1 1 . 1 1 41 41 MET C C 41 177.125 177.125 176.860 0.265 19800 107 1 1 . 1 1 41 41 MET CA C 41 57.763 57.763 57.371 0.392 19800 108 1 1 . 1 1 41 41 MET CB C 41 31.579 31.579 32.419 -0.840 19800 109 1 1 . 1 1 42 42 HIS N N 42 115.329 115.329 113.518 1.811 19800 110 1 1 . 1 1 42 42 HIS HA H 42 4.371 4.371 4.524 -0.153 19800 111 1 1 . 1 1 42 42 HIS C C 42 171.216 171.216 174.340 -3.124 19800 112 1 1 . 1 1 42 42 HIS CA C 42 54.601 54.601 56.008 -1.407 19800 113 1 1 . 1 1 42 42 HIS CB C 42 27.399 27.399 29.538 -2.139 19800 114 1 1 . 1 1 43 43 ASN N N 43 112.995 112.995 117.176 -4.181 19800 115 1 1 . 1 1 43 43 ASN HA H 43 4.293 4.293 4.346 -0.053 19800 116 1 1 . 1 1 43 43 ASN C C 43 173.011 173.011 173.990 -0.979 19800 117 1 1 . 1 1 43 43 ASN CA C 43 54.571 54.571 54.117 0.454 19800 118 1 1 . 1 1 43 43 ASN CB C 43 36.981 36.981 37.251 -0.270 19800 119 1 1 . 1 1 44 44 ILE N N 44 120.077 120.077 118.855 1.222 19800 120 1 1 . 1 1 44 44 ILE HA H 44 4.225 4.225 4.463 -0.238 19800 121 1 1 . 1 1 44 44 ILE C C 44 174.630 174.630 174.731 -0.101 19800 122 1 1 . 1 1 44 44 ILE CA C 44 60.469 60.469 59.565 0.904 19800 123 1 1 . 1 1 44 44 ILE CB C 44 39.933 39.933 41.409 -1.476 19800 124 1 1 . 1 1 45 45 GLU N N 45 129.083 129.083 128.206 0.877 19800 125 1 1 . 1 1 45 45 GLU HA H 45 4.144 4.144 4.196 -0.052 19800 126 1 1 . 1 1 45 45 GLU C C 45 174.368 174.368 174.984 -0.616 19800 127 1 1 . 1 1 45 45 GLU CA C 45 56.121 56.121 56.760 -0.639 19800 128 1 1 . 1 1 45 45 GLU CB C 45 29.979 29.979 29.255 0.724 19800 129 1 1 . 1 1 46 46 ALA N N 46 127.014 127.014 129.553 -2.539 19800 130 1 1 . 1 1 46 46 ALA HA H 46 5.087 5.087 4.949 0.138 19800 131 1 1 . 1 1 46 46 ALA C C 46 175.515 175.515 176.208 -0.693 19800 132 1 1 . 1 1 46 46 ALA CA C 46 50.426 50.426 50.655 -0.229 19800 133 1 1 . 1 1 46 46 ALA CB C 46 23.581 23.581 20.512 3.069 19800 134 1 1 . 1 1 47 47 ASN N N 47 117.293 117.293 123.433 -6.140 19800 135 1 1 . 1 1 47 47 ASN HA H 47 5.059 5.059 4.962 0.097 19800 136 1 1 . 1 1 47 47 ASN C C 47 172.618 172.618 174.202 -1.584 19800 137 1 1 . 1 1 47 47 ASN CA C 47 51.733 51.733 52.571 -0.838 19800 138 1 1 . 1 1 47 47 ASN CB C 47 41.163 41.163 42.318 -1.155 19800 139 1 1 . 1 1 48 48 LYS N N 48 121.209 121.209 126.257 -5.048 19800 140 1 1 . 1 1 48 48 LYS HA H 48 5.302 5.302 4.863 0.439 19800 141 1 1 . 1 1 48 48 LYS C C 48 175.186 175.186 176.132 -0.946 19800 142 1 1 . 1 1 48 48 LYS CA C 48 54.377 54.377 56.045 -1.668 19800 143 1 1 . 1 1 48 48 LYS CB C 48 34.817 34.817 33.267 1.550 19800 144 1 1 . 1 1 49 49 ILE N N 49 127.508 127.508 123.763 3.745 19800 145 1 1 . 1 1 49 49 ILE HA H 49 4.335 4.335 4.711 -0.376 19800 146 1 1 . 1 1 49 49 ILE C C 49 175.247 175.247 174.288 0.959 19800 147 1 1 . 1 1 49 49 ILE CA C 49 59.683 59.683 59.818 -0.135 19800 148 1 1 . 1 1 49 49 ILE CB C 49 39.941 39.941 40.380 -0.439 19800 149 1 1 . 1 1 50 50 ASP N N 50 127.775 127.775 124.347 3.428 19800 150 1 1 . 1 1 50 50 ASP HA H 50 3.854 3.854 5.756 -1.902 19800 151 1 1 . 1 1 50 50 ASP C C 50 177.327 177.327 175.597 1.730 19800 152 1 1 . 1 1 50 50 ASP CA C 50 53.639 53.639 52.529 1.110 19800 153 1 1 . 1 1 50 50 ASP CB C 50 40.857 40.857 43.067 -2.210 19800 154 1 1 . 1 1 51 51 SER N N 51 123.948 123.948 116.637 7.311 19800 155 1 1 . 1 1 51 51 SER HA H 51 4.660 4.660 4.652 0.008 19800 156 1 1 . 1 1 51 51 SER C C 51 177.258 177.258 175.357 1.901 19800 157 1 1 . 1 1 51 51 SER CA C 51 57.111 57.111 57.273 -0.162 19800 158 1 1 . 1 1 51 51 SER CB C 51 63.271 63.271 65.336 -2.065 19800 159 1 1 . 1 1 52 52 GLY N N 52 112.626 112.626 110.732 1.894 19800 160 1 1 . 1 1 52 52 GLY C C 52 178.261 178.261 174.699 3.562 19800 161 1 1 . 1 1 52 52 GLY CA C 52 46.450 46.450 46.688 -0.238 19800 162 1 1 . 1 1 53 53 LYS HA H 53 4.119 4.119 4.280 -0.161 19800 163 1 1 . 1 1 53 53 LYS C C 53 178.526 178.526 177.052 1.474 19800 164 1 1 . 1 1 53 53 LYS CA C 53 58.349 58.349 56.853 1.496 19800 165 1 1 . 1 1 53 53 LYS CB C 53 32.038 32.038 32.383 -0.345 19800 166 1 1 . 1 1 54 54 LEU N N 54 117.133 117.133 118.368 -1.235 19800 167 1 1 . 1 1 54 54 LEU HA H 54 4.309 4.309 4.549 -0.240 19800 168 1 1 . 1 1 54 54 LEU C C 54 178.832 178.832 177.000 1.832 19800 169 1 1 . 1 1 54 54 LEU CA C 54 54.958 54.958 55.306 -0.347 19800 170 1 1 . 1 1 54 54 LEU CB C 54 41.155 41.155 43.502 -2.347 19800 171 1 1 . 1 1 55 55 GLY N N 55 106.946 106.946 106.549 0.397 19800 172 1 1 . 1 1 55 55 GLY C C 55 172.511 172.511 172.514 -0.003 19800 173 1 1 . 1 1 55 55 GLY CA C 55 44.519 44.519 45.745 -1.226 19800 174 1 1 . 1 1 56 56 TYR N N 56 119.500 119.500 123.586 -4.086 19800 175 1 1 . 1 1 56 56 TYR HA H 56 5.267 5.267 5.455 -0.188 19800 176 1 1 . 1 1 56 56 TYR C C 56 177.412 177.412 174.603 2.809 19800 177 1 1 . 1 1 56 56 TYR CA C 56 57.986 57.986 56.852 1.134 19800 178 1 1 . 1 1 56 56 TYR CB C 56 40.838 40.838 41.323 -0.485 19800 179 1 1 . 1 1 57 57 SER N N 57 114.460 114.460 115.124 -0.664 19800 180 1 1 . 1 1 57 57 SER HA H 57 5.386 5.386 4.875 0.511 19800 181 1 1 . 1 1 57 57 SER C C 57 171.818 171.818 172.620 -0.802 19800 182 1 1 . 1 1 57 57 SER CA C 57 55.817 55.817 56.984 -1.167 19800 183 1 1 . 1 1 57 57 SER CB C 57 65.566 65.566 67.004 -1.438 19800 184 1 1 . 1 1 58 58 ILE N N 58 121.240 121.240 121.279 -0.039 19800 185 1 1 . 1 1 58 58 ILE HA H 58 5.538 5.538 5.078 0.460 19800 186 1 1 . 1 1 58 58 ILE C C 58 176.822 176.822 176.091 0.731 19800 187 1 1 . 1 1 58 58 ILE CA C 58 57.040 57.040 59.283 -2.243 19800 188 1 1 . 1 1 58 58 ILE CB C 58 39.157 39.157 39.730 -0.573 19800 189 1 1 . 1 1 59 59 THR N N 59 118.505 118.505 122.522 -4.017 19800 190 1 1 . 1 1 59 59 THR HA H 59 5.435 5.435 4.791 0.644 19800 191 1 1 . 1 1 59 59 THR C C 59 172.703 172.703 172.802 -0.099 19800 192 1 1 . 1 1 59 59 THR CA C 59 58.889 58.889 59.798 -0.909 19800 193 1 1 . 1 1 59 59 THR CB C 59 71.574 71.574 70.553 1.021 19800 194 1 1 . 1 1 60 60 VAL N N 60 111.299 111.299 117.906 -6.607 19800 195 1 1 . 1 1 60 60 VAL HA H 60 4.787 4.787 5.409 -0.622 19800 196 1 1 . 1 1 60 60 VAL C C 60 173.802 173.802 174.835 -1.033 19800 197 1 1 . 1 1 60 60 VAL CA C 60 58.594 58.594 57.869 0.725 19800 198 1 1 . 1 1 60 60 VAL CB C 60 36.560 36.560 35.796 0.764 19800 199 1 1 . 1 1 61 61 ALA N N 61 125.688 125.688 121.799 3.889 19800 200 1 1 . 1 1 61 61 ALA HA H 61 4.678 4.678 4.198 0.480 19800 201 1 1 . 1 1 61 61 ALA C C 61 182.244 182.244 178.790 3.454 19800 202 1 1 . 1 1 61 61 ALA CA C 61 52.304 52.304 53.005 -0.701 19800 203 1 1 . 1 1 61 61 ALA CB C 61 19.742 19.742 19.007 0.735 19800 204 1 1 . 1 1 62 62 GLU N N 62 122.612 122.612 123.755 -1.143 19800 205 1 1 . 1 1 62 62 GLU HA H 62 3.970 3.970 4.103 -0.133 19800 206 1 1 . 1 1 62 62 GLU C C 62 175.922 175.922 176.824 -0.902 19800 207 1 1 . 1 1 62 62 GLU CA C 62 62.328 62.328 60.907 1.421 19800 208 1 1 . 1 1 62 62 GLU CB C 62 27.421 27.421 28.674 -1.253 19800 209 1 1 . 1 1 63 63 PRO HA H 63 4.486 4.486 4.345 0.141 19800 210 1 1 . 1 1 63 63 PRO C C 63 178.721 178.721 177.683 1.038 19800 211 1 1 . 1 1 63 63 PRO CA C 63 65.517 65.517 64.631 0.886 19800 212 1 1 . 1 1 63 63 PRO CB C 63 31.124 31.124 31.452 -0.328 19800 213 1 1 . 1 1 64 64 ASP N N 64 115.002 115.002 118.342 -3.340 19800 214 1 1 . 1 1 64 64 ASP HA H 64 4.994 4.994 4.690 0.304 19800 215 1 1 . 1 1 64 64 ASP C C 64 176.565 176.565 176.745 -0.180 19800 216 1 1 . 1 1 64 64 ASP CA C 64 54.701 54.701 54.620 0.081 19800 217 1 1 . 1 1 64 64 ASP CB C 64 43.082 43.082 40.511 2.571 19800 218 1 1 . 1 1 65 65 PHE N N 65 122.010 122.010 122.077 -0.067 19800 219 1 1 . 1 1 65 65 PHE HA H 65 3.926 3.926 4.058 -0.132 19800 220 1 1 . 1 1 65 65 PHE C C 65 175.918 175.918 176.721 -0.803 19800 221 1 1 . 1 1 65 65 PHE CA C 65 63.611 63.611 61.796 1.815 19800 222 1 1 . 1 1 65 65 PHE CB C 65 40.354 40.354 39.266 1.088 19800 223 1 1 . 1 1 66 66 THR N N 66 112.195 112.195 114.114 -1.919 19800 224 1 1 . 1 1 66 66 THR HA H 66 3.660 3.660 3.766 -0.106 19800 225 1 1 . 1 1 66 66 THR C C 66 178.106 178.106 176.108 1.998 19800 226 1 1 . 1 1 66 66 THR CA C 66 66.742 66.742 65.705 1.037 19800 227 1 1 . 1 1 66 66 THR CB C 66 68.412 68.412 68.587 -0.175 19800 228 1 1 . 1 1 67 67 ALA N N 67 124.955 124.955 122.919 2.036 19800 229 1 1 . 1 1 67 67 ALA HA H 67 4.044 4.044 3.657 0.387 19800 230 1 1 . 1 1 67 67 ALA C C 67 180.268 180.268 178.708 1.560 19800 231 1 1 . 1 1 67 67 ALA CA C 67 54.618 54.618 54.521 0.097 19800 232 1 1 . 1 1 67 67 ALA CB C 67 18.408 18.408 17.913 0.495 19800 233 1 1 . 1 1 68 68 ALA N N 68 119.593 119.593 121.557 -1.964 19800 234 1 1 . 1 1 68 68 ALA HA H 68 3.966 3.966 3.886 0.080 19800 235 1 1 . 1 1 68 68 ALA C C 68 181.033 181.033 179.302 1.731 19800 236 1 1 . 1 1 68 68 ALA CA C 68 55.623 55.623 55.141 0.482 19800 237 1 1 . 1 1 68 68 ALA CB C 68 19.802 19.802 18.294 1.508 19800 238 1 1 . 1 1 69 69 VAL N N 69 115.582 115.582 117.081 -1.499 19800 239 1 1 . 1 1 69 69 VAL HA H 69 3.257 3.257 3.556 -0.299 19800 240 1 1 . 1 1 69 69 VAL C C 69 179.000 179.000 177.962 1.038 19800 241 1 1 . 1 1 69 69 VAL CA C 69 66.077 66.077 65.736 0.341 19800 242 1 1 . 1 1 69 69 VAL CB C 69 31.684 31.684 30.725 0.959 19800 243 1 1 . 1 1 70 70 TYR N N 70 118.722 118.722 120.711 -1.989 19800 244 1 1 . 1 1 70 70 TYR HA H 70 3.805 3.805 4.039 -0.234 19800 245 1 1 . 1 1 70 70 TYR C C 70 180.084 180.084 178.261 1.823 19800 246 1 1 . 1 1 70 70 TYR CA C 70 61.459 61.459 61.308 0.151 19800 247 1 1 . 1 1 70 70 TYR CB C 70 37.712 37.712 37.967 -0.255 19800 248 1 1 . 1 1 71 71 TRP N N 71 117.180 117.180 118.802 -1.622 19800 249 1 1 . 1 1 71 71 TRP HA H 71 4.482 4.482 4.295 0.187 19800 250 1 1 . 1 1 71 71 TRP C C 71 180.643 180.643 178.761 1.882 19800 251 1 1 . 1 1 71 71 TRP CA C 71 58.833 58.833 58.830 0.003 19800 252 1 1 . 1 1 71 71 TRP CB C 71 30.133 30.133 29.715 0.418 19800 253 1 1 . 1 1 72 72 ILE N N 72 113.422 113.422 117.858 -4.436 19800 254 1 1 . 1 1 72 72 ILE HA H 72 4.452 4.452 4.037 0.415 19800 255 1 1 . 1 1 72 72 ILE C C 72 178.490 178.490 177.647 0.843 19800 256 1 1 . 1 1 72 72 ILE CA C 72 61.563 61.563 61.338 0.225 19800 257 1 1 . 1 1 72 72 ILE CB C 72 37.491 37.491 36.378 1.113 19800 258 1 1 . 1 1 73 73 LYS N N 73 120.911 120.911 119.983 0.928 19800 259 1 1 . 1 1 73 73 LYS HA H 73 4.177 4.177 4.175 0.002 19800 260 1 1 . 1 1 73 73 LYS C C 73 179.460 179.460 178.668 0.792 19800 261 1 1 . 1 1 73 73 LYS CA C 73 58.310 58.310 58.578 -0.268 19800 262 1 1 . 1 1 73 73 LYS CB C 73 32.247 32.247 31.709 0.539 19800 263 1 1 . 1 1 74 74 THR N N 74 110.017 110.017 113.475 -3.458 19800 264 1 1 . 1 1 74 74 THR HA H 74 4.140 4.140 4.300 -0.160 19800 265 1 1 . 1 1 74 74 THR C C 74 174.574 174.574 174.835 -0.261 19800 266 1 1 . 1 1 74 74 THR CA C 74 63.019 63.019 63.222 -0.203 19800 267 1 1 . 1 1 74 74 THR CB C 74 69.394 69.394 69.108 0.286 19800 268 1 1 . 1 1 75 75 TYR N N 75 122.005 122.005 121.568 0.437 19800 269 1 1 . 1 1 75 75 TYR HA H 75 4.468 4.468 4.653 -0.185 19800 270 1 1 . 1 1 75 75 TYR C C 75 174.634 174.634 175.194 -0.560 19800 271 1 1 . 1 1 75 75 TYR CA C 75 58.964 58.964 57.124 1.840 19800 272 1 1 . 1 1 75 75 TYR CB C 75 38.945 38.945 39.793 -0.848 19800 273 1 2 . 1 1 20 20 ASP N N 20 121.855 121.855 122.590 -0.735 19800 274 1 2 . 1 1 20 20 ASP HA H 20 4.824 4.824 4.969 -0.145 19800 275 1 2 . 1 1 20 20 ASP C C 20 176.378 176.378 175.380 0.998 19800 276 1 2 . 1 1 20 20 ASP CA C 20 54.063 54.063 54.079 -0.016 19800 277 1 2 . 1 1 20 20 ASP CB C 20 41.753 41.753 41.716 0.037 19800 278 1 2 . 1 1 21 21 LYS N N 21 121.556 121.556 124.412 -2.856 19800 279 1 2 . 1 1 21 21 LYS HA H 21 4.493 4.493 4.536 -0.043 19800 280 1 2 . 1 1 21 21 LYS C C 21 175.887 175.887 175.015 0.872 19800 281 1 2 . 1 1 21 21 LYS CA C 21 54.395 54.395 54.559 -0.164 19800 282 1 2 . 1 1 21 21 LYS CB C 21 35.006 35.006 35.292 -0.286 19800 283 1 2 . 1 1 22 22 ASP N N 22 123.097 123.097 124.722 -1.625 19800 284 1 2 . 1 1 22 22 ASP HA H 22 4.558 4.558 4.602 -0.044 19800 285 1 2 . 1 1 22 22 ASP C C 22 175.402 175.402 176.070 -0.668 19800 286 1 2 . 1 1 22 22 ASP CA C 22 55.514 55.514 54.652 0.862 19800 287 1 2 . 1 1 22 22 ASP CB C 22 40.854 40.854 40.958 -0.104 19800 288 1 2 . 1 1 23 23 LEU N N 23 126.265 126.265 127.428 -1.163 19800 289 1 2 . 1 1 23 23 LEU HA H 23 4.680 4.680 4.654 0.026 19800 290 1 2 . 1 1 23 23 LEU C C 23 176.338 176.338 176.882 -0.544 19800 291 1 2 . 1 1 23 23 LEU CA C 23 56.204 56.204 55.977 0.227 19800 292 1 2 . 1 1 23 23 LEU CB C 23 45.211 45.211 43.235 1.976 19800 293 1 2 . 1 1 24 24 LEU N N 24 114.484 114.484 118.162 -3.678 19800 294 1 2 . 1 1 24 24 LEU HA H 24 4.789 4.789 4.501 0.288 19800 295 1 2 . 1 1 24 24 LEU C C 24 174.976 174.976 175.819 -0.843 19800 296 1 2 . 1 1 24 24 LEU CA C 24 53.674 53.674 54.181 -0.506 19800 297 1 2 . 1 1 24 24 LEU CB C 24 49.345 49.345 43.212 6.133 19800 298 1 2 . 1 1 25 25 LYS N N 25 118.529 118.529 119.372 -0.843 19800 299 1 2 . 1 1 25 25 LYS HA H 25 4.994 4.994 4.428 0.566 19800 300 1 2 . 1 1 25 25 LYS C C 25 176.242 176.242 176.223 0.019 19800 301 1 2 . 1 1 25 25 LYS CA C 25 55.210 55.210 55.799 -0.589 19800 302 1 2 . 1 1 25 25 LYS CB C 25 35.992 35.992 33.724 2.268 19800 303 1 2 . 1 1 26 26 GLY N N 26 107.756 107.756 111.148 -3.392 19800 304 1 2 . 1 1 26 26 GLY C C 26 176.034 176.034 174.206 1.828 19800 305 1 2 . 1 1 26 26 GLY CA C 26 46.394 46.394 45.933 0.461 19800 306 1 2 . 1 1 27 27 LEU N N 27 120.147 120.147 122.683 -2.536 19800 307 1 2 . 1 1 27 27 LEU HA H 27 4.601 4.601 4.326 0.275 19800 308 1 2 . 1 1 27 27 LEU C C 27 179.874 179.874 176.007 3.867 19800 309 1 2 . 1 1 27 27 LEU CA C 27 54.325 54.325 54.375 -0.050 19800 310 1 2 . 1 1 27 27 LEU CB C 27 43.622 43.622 41.366 2.256 19800 311 1 2 . 1 1 28 28 ASP N N 28 119.966 119.966 123.548 -3.582 19800 312 1 2 . 1 1 28 28 ASP HA H 28 5.096 5.096 4.489 0.607 19800 313 1 2 . 1 1 28 28 ASP C C 28 177.406 177.406 177.089 0.317 19800 314 1 2 . 1 1 28 28 ASP CA C 28 52.835 52.835 54.635 -1.800 19800 315 1 2 . 1 1 28 28 ASP CB C 28 41.180 41.180 43.145 -1.965 19800 316 1 2 . 1 1 29 29 GLN N N 29 118.219 118.219 121.282 -3.063 19800 317 1 2 . 1 1 29 29 GLN HA H 29 2.969 2.969 3.888 -0.919 19800 318 1 2 . 1 1 29 29 GLN C C 29 178.379 178.379 177.570 0.809 19800 319 1 2 . 1 1 29 29 GLN CA C 29 59.978 59.978 59.203 0.775 19800 320 1 2 . 1 1 29 29 GLN CB C 29 28.897 28.897 28.484 0.413 19800 321 1 2 . 1 1 30 30 GLU N N 30 118.429 118.429 116.681 1.748 19800 322 1 2 . 1 1 30 30 GLU HA H 30 3.986 3.986 3.962 0.024 19800 323 1 2 . 1 1 30 30 GLU C C 30 182.812 182.812 178.506 4.306 19800 324 1 2 . 1 1 30 30 GLU CA C 30 59.730 59.730 58.591 1.139 19800 325 1 2 . 1 1 30 30 GLU CB C 30 28.936 28.936 29.044 -0.108 19800 326 1 2 . 1 1 31 31 GLN N N 31 120.672 120.672 119.239 1.433 19800 327 1 2 . 1 1 31 31 GLN HA H 31 4.068 4.068 4.252 -0.184 19800 328 1 2 . 1 1 31 31 GLN C C 31 180.864 180.864 178.067 2.797 19800 329 1 2 . 1 1 31 31 GLN CA C 31 58.612 58.612 57.504 1.108 19800 330 1 2 . 1 1 31 31 GLN CB C 31 29.844 29.844 29.220 0.624 19800 331 1 2 . 1 1 32 32 ALA N N 32 120.200 120.200 122.883 -2.683 19800 332 1 2 . 1 1 32 32 ALA HA H 32 3.771 3.771 4.011 -0.240 19800 333 1 2 . 1 1 32 32 ALA C C 32 180.339 180.339 179.142 1.197 19800 334 1 2 . 1 1 32 32 ALA CA C 32 55.122 55.122 54.235 0.887 19800 335 1 2 . 1 1 32 32 ALA CB C 32 17.289 17.289 18.140 -0.851 19800 336 1 2 . 1 1 33 33 ASN N N 33 115.507 115.507 117.416 -1.909 19800 337 1 2 . 1 1 33 33 ASN HA H 33 4.292 4.292 4.336 -0.044 19800 338 1 2 . 1 1 33 33 ASN C C 33 180.713 180.713 177.581 3.132 19800 339 1 2 . 1 1 33 33 ASN CA C 33 55.479 55.479 56.395 -0.916 19800 340 1 2 . 1 1 33 33 ASN CB C 33 37.104 37.104 38.182 -1.079 19800 341 1 2 . 1 1 34 34 GLU N N 34 122.826 122.826 118.480 4.346 19800 342 1 2 . 1 1 34 34 GLU HA H 34 4.083 4.083 4.065 0.018 19800 343 1 2 . 1 1 34 34 GLU C C 34 180.367 180.367 178.433 1.934 19800 344 1 2 . 1 1 34 34 GLU CA C 34 59.486 59.486 58.956 0.530 19800 345 1 2 . 1 1 34 34 GLU CB C 34 29.370 29.370 29.685 -0.315 19800 346 1 2 . 1 1 35 35 VAL N N 35 119.909 119.909 119.523 0.386 19800 347 1 2 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.326 0.047 19800 348 1 2 . 1 1 35 35 VAL C C 35 179.502 179.502 177.723 1.779 19800 349 1 2 . 1 1 35 35 VAL CA C 35 66.809 66.809 66.320 0.489 19800 350 1 2 . 1 1 35 35 VAL CB C 35 31.000 31.000 31.760 -0.760 19800 351 1 2 . 1 1 36 36 ILE N N 36 118.626 118.626 119.380 -0.754 19800 352 1 2 . 1 1 36 36 ILE HA H 36 3.514 3.514 3.683 -0.169 19800 353 1 2 . 1 1 36 36 ILE C C 36 180.436 180.436 176.823 3.613 19800 354 1 2 . 1 1 36 36 ILE CA C 36 64.355 64.355 63.913 0.442 19800 355 1 2 . 1 1 36 36 ILE CB C 36 36.534 36.534 37.723 -1.189 19800 356 1 2 . 1 1 37 37 ALA N N 37 122.361 122.361 122.688 -0.327 19800 357 1 2 . 1 1 37 37 ALA HA H 37 4.145 4.145 4.031 0.114 19800 358 1 2 . 1 1 37 37 ALA C C 37 183.902 183.902 179.072 4.830 19800 359 1 2 . 1 1 37 37 ALA CA C 37 55.433 55.433 55.269 0.164 19800 360 1 2 . 1 1 37 37 ALA CB C 37 17.807 17.807 18.084 -0.277 19800 361 1 2 . 1 1 38 38 VAL N N 38 120.987 120.987 119.424 1.563 19800 362 1 2 . 1 1 38 38 VAL HA H 38 3.630 3.630 3.832 -0.202 19800 363 1 2 . 1 1 38 38 VAL C C 38 180.529 180.529 177.476 3.053 19800 364 1 2 . 1 1 38 38 VAL CA C 38 66.453 66.453 65.490 0.963 19800 365 1 2 . 1 1 38 38 VAL CB C 38 31.763 31.763 32.203 -0.440 19800 366 1 2 . 1 1 39 39 LEU N N 39 119.408 119.408 120.197 -0.789 19800 367 1 2 . 1 1 39 39 LEU HA H 39 3.929 3.929 3.957 -0.028 19800 368 1 2 . 1 1 39 39 LEU C C 39 183.063 183.063 178.862 4.201 19800 369 1 2 . 1 1 39 39 LEU CA C 39 58.544 58.544 57.973 0.571 19800 370 1 2 . 1 1 39 39 LEU CB C 39 39.409 39.409 40.435 -1.026 19800 371 1 2 . 1 1 40 40 GLN N N 40 121.514 121.514 119.285 2.229 19800 372 1 2 . 1 1 40 40 GLN HA H 40 3.928 3.928 4.003 -0.075 19800 373 1 2 . 1 1 40 40 GLN C C 40 183.366 183.366 179.147 4.219 19800 374 1 2 . 1 1 40 40 GLN CA C 40 59.324 59.324 58.791 0.533 19800 375 1 2 . 1 1 40 40 GLN CB C 40 28.254 28.254 28.651 -0.397 19800 376 1 2 . 1 1 41 41 MET N N 41 119.672 119.672 119.402 0.270 19800 377 1 2 . 1 1 41 41 MET HA H 41 4.032 4.032 4.135 -0.103 19800 378 1 2 . 1 1 41 41 MET C C 41 177.125 177.125 177.329 -0.204 19800 379 1 2 . 1 1 41 41 MET CA C 41 57.763 57.763 57.283 0.480 19800 380 1 2 . 1 1 41 41 MET CB C 41 31.579 31.579 32.533 -0.954 19800 381 1 2 . 1 1 42 42 HIS N N 42 115.329 115.329 113.852 1.477 19800 382 1 2 . 1 1 42 42 HIS HA H 42 4.371 4.371 4.485 -0.114 19800 383 1 2 . 1 1 42 42 HIS C C 42 171.216 171.216 174.789 -3.573 19800 384 1 2 . 1 1 42 42 HIS CA C 42 54.601 54.601 56.197 -1.596 19800 385 1 2 . 1 1 42 42 HIS CB C 42 27.399 27.399 29.006 -1.607 19800 386 1 2 . 1 1 43 43 ASN N N 43 112.995 112.995 116.356 -3.361 19800 387 1 2 . 1 1 43 43 ASN HA H 43 4.293 4.293 4.360 -0.067 19800 388 1 2 . 1 1 43 43 ASN C C 43 173.011 173.011 174.056 -1.045 19800 389 1 2 . 1 1 43 43 ASN CA C 43 54.571 54.571 54.162 0.409 19800 390 1 2 . 1 1 43 43 ASN CB C 43 36.981 36.981 37.916 -0.935 19800 391 1 2 . 1 1 44 44 ILE N N 44 120.077 120.077 119.853 0.224 19800 392 1 2 . 1 1 44 44 ILE HA H 44 4.225 4.225 4.405 -0.180 19800 393 1 2 . 1 1 44 44 ILE C C 44 174.630 174.630 174.625 0.005 19800 394 1 2 . 1 1 44 44 ILE CA C 44 60.469 60.469 60.210 0.259 19800 395 1 2 . 1 1 44 44 ILE CB C 44 39.933 39.933 39.542 0.391 19800 396 1 2 . 1 1 45 45 GLU N N 45 129.083 129.083 127.878 1.205 19800 397 1 2 . 1 1 45 45 GLU HA H 45 4.144 4.144 4.318 -0.174 19800 398 1 2 . 1 1 45 45 GLU C C 45 174.368 174.368 174.843 -0.475 19800 399 1 2 . 1 1 45 45 GLU CA C 45 56.121 56.121 56.423 -0.302 19800 400 1 2 . 1 1 45 45 GLU CB C 45 29.979 29.979 30.223 -0.244 19800 401 1 2 . 1 1 46 46 ALA N N 46 127.014 127.014 125.317 1.697 19800 402 1 2 . 1 1 46 46 ALA HA H 46 5.087 5.087 5.072 0.015 19800 403 1 2 . 1 1 46 46 ALA C C 46 175.515 175.515 176.065 -0.550 19800 404 1 2 . 1 1 46 46 ALA CA C 46 50.426 50.426 50.749 -0.323 19800 405 1 2 . 1 1 46 46 ALA CB C 46 23.581 23.581 22.136 1.445 19800 406 1 2 . 1 1 47 47 ASN N N 47 117.293 117.293 118.595 -1.302 19800 407 1 2 . 1 1 47 47 ASN HA H 47 5.059 5.059 5.048 0.011 19800 408 1 2 . 1 1 47 47 ASN C C 47 172.618 172.618 173.191 -0.573 19800 409 1 2 . 1 1 47 47 ASN CA C 47 51.733 51.733 52.361 -0.628 19800 410 1 2 . 1 1 47 47 ASN CB C 47 41.163 41.163 42.639 -1.476 19800 411 1 2 . 1 1 48 48 LYS N N 48 121.209 121.209 121.675 -0.466 19800 412 1 2 . 1 1 48 48 LYS HA H 48 5.302 5.302 4.647 0.655 19800 413 1 2 . 1 1 48 48 LYS C C 48 175.186 175.186 176.062 -0.876 19800 414 1 2 . 1 1 48 48 LYS CA C 48 54.377 54.377 55.368 -0.991 19800 415 1 2 . 1 1 48 48 LYS CB C 48 34.817 34.817 33.860 0.957 19800 416 1 2 . 1 1 49 49 ILE N N 49 127.508 127.508 123.493 4.015 19800 417 1 2 . 1 1 49 49 ILE HA H 49 4.335 4.335 4.466 -0.131 19800 418 1 2 . 1 1 49 49 ILE C C 49 175.247 175.247 174.117 1.130 19800 419 1 2 . 1 1 49 49 ILE CA C 49 59.683 59.683 60.266 -0.583 19800 420 1 2 . 1 1 49 49 ILE CB C 49 39.941 39.941 39.367 0.574 19800 421 1 2 . 1 1 50 50 ASP N N 50 127.775 127.775 127.713 0.062 19800 422 1 2 . 1 1 50 50 ASP HA H 50 3.854 3.854 4.722 -0.868 19800 423 1 2 . 1 1 50 50 ASP C C 50 177.327 177.327 175.239 2.088 19800 424 1 2 . 1 1 50 50 ASP CA C 50 53.639 53.639 53.715 -0.076 19800 425 1 2 . 1 1 50 50 ASP CB C 50 40.857 40.857 42.324 -1.466 19800 426 1 2 . 1 1 51 51 SER N N 51 123.948 123.948 120.606 3.342 19800 427 1 2 . 1 1 51 51 SER HA H 51 4.660 4.660 4.676 -0.016 19800 428 1 2 . 1 1 51 51 SER C C 51 177.258 177.258 175.500 1.758 19800 429 1 2 . 1 1 51 51 SER CA C 51 57.111 57.111 57.437 -0.326 19800 430 1 2 . 1 1 51 51 SER CB C 51 63.271 63.271 65.218 -1.947 19800 431 1 2 . 1 1 52 52 GLY N N 52 112.626 112.626 111.527 1.099 19800 432 1 2 . 1 1 52 52 GLY C C 52 178.261 178.261 174.868 3.393 19800 433 1 2 . 1 1 52 52 GLY CA C 52 46.450 46.450 47.343 -0.893 19800 434 1 2 . 1 1 53 53 LYS HA H 53 4.119 4.119 4.329 -0.210 19800 435 1 2 . 1 1 53 53 LYS C C 53 178.526 178.526 176.821 1.705 19800 436 1 2 . 1 1 53 53 LYS CA C 53 58.349 58.349 56.558 1.791 19800 437 1 2 . 1 1 53 53 LYS CB C 53 32.038 32.038 31.643 0.394 19800 438 1 2 . 1 1 54 54 LEU N N 54 117.133 117.133 120.791 -3.658 19800 439 1 2 . 1 1 54 54 LEU HA H 54 4.309 4.309 4.268 0.041 19800 440 1 2 . 1 1 54 54 LEU C C 54 178.832 178.832 177.601 1.231 19800 441 1 2 . 1 1 54 54 LEU CA C 54 54.958 54.958 55.862 -0.904 19800 442 1 2 . 1 1 54 54 LEU CB C 54 41.155 41.155 43.095 -1.940 19800 443 1 2 . 1 1 55 55 GLY N N 55 106.946 106.946 106.717 0.229 19800 444 1 2 . 1 1 55 55 GLY C C 55 172.511 172.511 173.184 -0.673 19800 445 1 2 . 1 1 55 55 GLY CA C 55 44.519 44.519 45.993 -1.474 19800 446 1 2 . 1 1 56 56 TYR N N 56 119.500 119.500 124.235 -4.735 19800 447 1 2 . 1 1 56 56 TYR HA H 56 5.267 5.267 4.866 0.401 19800 448 1 2 . 1 1 56 56 TYR C C 56 177.412 177.412 173.565 3.847 19800 449 1 2 . 1 1 56 56 TYR CA C 56 57.986 57.986 57.717 0.269 19800 450 1 2 . 1 1 56 56 TYR CB C 56 40.838 40.838 42.126 -1.288 19800 451 1 2 . 1 1 57 57 SER N N 57 114.460 114.460 115.135 -0.675 19800 452 1 2 . 1 1 57 57 SER HA H 57 5.386 5.386 4.870 0.516 19800 453 1 2 . 1 1 57 57 SER C C 57 171.818 171.818 172.795 -0.977 19800 454 1 2 . 1 1 57 57 SER CA C 57 55.817 55.817 56.967 -1.150 19800 455 1 2 . 1 1 57 57 SER CB C 57 65.566 65.566 66.754 -1.188 19800 456 1 2 . 1 1 58 58 ILE N N 58 121.240 121.240 120.996 0.244 19800 457 1 2 . 1 1 58 58 ILE HA H 58 5.538 5.538 4.735 0.803 19800 458 1 2 . 1 1 58 58 ILE C C 58 176.822 176.822 176.249 0.573 19800 459 1 2 . 1 1 58 58 ILE CA C 58 57.040 57.040 59.245 -2.205 19800 460 1 2 . 1 1 58 58 ILE CB C 58 39.157 39.157 37.676 1.481 19800 461 1 2 . 1 1 59 59 THR N N 59 118.505 118.505 120.853 -2.348 19800 462 1 2 . 1 1 59 59 THR HA H 59 5.435 5.435 4.795 0.640 19800 463 1 2 . 1 1 59 59 THR C C 59 172.703 172.703 173.233 -0.530 19800 464 1 2 . 1 1 59 59 THR CA C 59 58.889 58.889 60.160 -1.271 19800 465 1 2 . 1 1 59 59 THR CB C 59 71.574 71.574 70.825 0.749 19800 466 1 2 . 1 1 60 60 VAL N N 60 111.299 111.299 118.394 -7.095 19800 467 1 2 . 1 1 60 60 VAL HA H 60 4.787 4.787 4.739 0.048 19800 468 1 2 . 1 1 60 60 VAL C C 60 173.802 173.802 174.432 -0.630 19800 469 1 2 . 1 1 60 60 VAL CA C 60 58.594 58.594 58.578 0.016 19800 470 1 2 . 1 1 60 60 VAL CB C 60 36.560 36.560 35.615 0.945 19800 471 1 2 . 1 1 61 61 ALA N N 61 125.688 125.688 121.453 4.235 19800 472 1 2 . 1 1 61 61 ALA HA H 61 4.678 4.678 4.150 0.528 19800 473 1 2 . 1 1 61 61 ALA C C 61 182.244 182.244 178.833 3.411 19800 474 1 2 . 1 1 61 61 ALA CA C 61 52.304 52.304 53.125 -0.821 19800 475 1 2 . 1 1 61 61 ALA CB C 61 19.742 19.742 18.934 0.808 19800 476 1 2 . 1 1 62 62 GLU N N 62 122.612 122.612 122.108 0.504 19800 477 1 2 . 1 1 62 62 GLU HA H 62 3.970 3.970 4.066 -0.096 19800 478 1 2 . 1 1 62 62 GLU C C 62 175.922 175.922 176.058 -0.136 19800 479 1 2 . 1 1 62 62 GLU CA C 62 62.328 62.328 61.240 1.088 19800 480 1 2 . 1 1 62 62 GLU CB C 62 27.421 27.421 28.284 -0.863 19800 481 1 2 . 1 1 63 63 PRO HA H 63 4.486 4.486 4.468 0.018 19800 482 1 2 . 1 1 63 63 PRO C C 63 178.721 178.721 176.941 1.780 19800 483 1 2 . 1 1 63 63 PRO CA C 63 65.517 65.517 63.416 2.101 19800 484 1 2 . 1 1 63 63 PRO CB C 63 31.124 31.124 31.238 -0.114 19800 485 1 2 . 1 1 64 64 ASP N N 64 115.002 115.002 120.353 -5.351 19800 486 1 2 . 1 1 64 64 ASP HA H 64 4.994 4.994 4.723 0.271 19800 487 1 2 . 1 1 64 64 ASP C C 64 176.565 176.565 176.456 0.109 19800 488 1 2 . 1 1 64 64 ASP CA C 64 54.701 54.701 54.567 0.134 19800 489 1 2 . 1 1 64 64 ASP CB C 64 43.082 43.082 40.207 2.875 19800 490 1 2 . 1 1 65 65 PHE N N 65 122.010 122.010 121.415 0.595 19800 491 1 2 . 1 1 65 65 PHE HA H 65 3.926 3.926 4.187 -0.261 19800 492 1 2 . 1 1 65 65 PHE C C 65 175.918 175.918 176.161 -0.243 19800 493 1 2 . 1 1 65 65 PHE CA C 65 63.611 63.611 61.575 2.036 19800 494 1 2 . 1 1 65 65 PHE CB C 65 40.354 40.354 39.216 1.138 19800 495 1 2 . 1 1 66 66 THR N N 66 112.195 112.195 115.064 -2.869 19800 496 1 2 . 1 1 66 66 THR HA H 66 3.660 3.660 3.715 -0.055 19800 497 1 2 . 1 1 66 66 THR C C 66 178.106 178.106 175.998 2.108 19800 498 1 2 . 1 1 66 66 THR CA C 66 66.742 66.742 66.967 -0.225 19800 499 1 2 . 1 1 66 66 THR CB C 66 68.412 68.412 68.123 0.289 19800 500 1 2 . 1 1 67 67 ALA N N 67 124.955 124.955 123.287 1.668 19800 501 1 2 . 1 1 67 67 ALA HA H 67 4.044 4.044 3.595 0.449 19800 502 1 2 . 1 1 67 67 ALA C C 67 180.268 180.268 178.893 1.375 19800 503 1 2 . 1 1 67 67 ALA CA C 67 54.618 54.618 54.568 0.050 19800 504 1 2 . 1 1 67 67 ALA CB C 67 18.408 18.408 17.996 0.412 19800 505 1 2 . 1 1 68 68 ALA N N 68 119.593 119.593 121.123 -1.530 19800 506 1 2 . 1 1 68 68 ALA HA H 68 3.966 3.966 3.918 0.048 19800 507 1 2 . 1 1 68 68 ALA C C 68 181.033 181.033 179.433 1.600 19800 508 1 2 . 1 1 68 68 ALA CA C 68 55.623 55.623 55.068 0.555 19800 509 1 2 . 1 1 68 68 ALA CB C 68 19.802 19.802 18.436 1.366 19800 510 1 2 . 1 1 69 69 VAL N N 69 115.582 115.582 118.354 -2.772 19800 511 1 2 . 1 1 69 69 VAL HA H 69 3.257 3.257 3.473 -0.216 19800 512 1 2 . 1 1 69 69 VAL C C 69 179.000 179.000 177.601 1.399 19800 513 1 2 . 1 1 69 69 VAL CA C 69 66.077 66.077 66.360 -0.283 19800 514 1 2 . 1 1 69 69 VAL CB C 69 31.684 31.684 31.072 0.612 19800 515 1 2 . 1 1 70 70 TYR N N 70 118.722 118.722 121.113 -2.391 19800 516 1 2 . 1 1 70 70 TYR HA H 70 3.805 3.805 3.968 -0.163 19800 517 1 2 . 1 1 70 70 TYR C C 70 180.084 180.084 177.220 2.864 19800 518 1 2 . 1 1 70 70 TYR CA C 70 61.459 61.459 62.029 -0.570 19800 519 1 2 . 1 1 70 70 TYR CB C 70 37.712 37.712 38.174 -0.462 19800 520 1 2 . 1 1 71 71 TRP N N 71 117.180 117.180 118.194 -1.014 19800 521 1 2 . 1 1 71 71 TRP HA H 71 4.482 4.482 4.317 0.165 19800 522 1 2 . 1 1 71 71 TRP C C 71 180.643 180.643 179.098 1.545 19800 523 1 2 . 1 1 71 71 TRP CA C 71 58.833 58.833 58.301 0.532 19800 524 1 2 . 1 1 71 71 TRP CB C 71 30.133 30.133 29.648 0.485 19800 525 1 2 . 1 1 72 72 ILE N N 72 113.422 113.422 119.361 -5.939 19800 526 1 2 . 1 1 72 72 ILE HA H 72 4.452 4.452 3.818 0.634 19800 527 1 2 . 1 1 72 72 ILE C C 72 178.490 178.490 178.449 0.041 19800 528 1 2 . 1 1 72 72 ILE CA C 72 61.563 61.563 62.405 -0.842 19800 529 1 2 . 1 1 72 72 ILE CB C 72 37.491 37.491 36.571 0.920 19800 530 1 2 . 1 1 73 73 LYS N N 73 120.911 120.911 121.337 -0.426 19800 531 1 2 . 1 1 73 73 LYS HA H 73 4.177 4.177 4.040 0.137 19800 532 1 2 . 1 1 73 73 LYS C C 73 179.460 179.460 178.869 0.591 19800 533 1 2 . 1 1 73 73 LYS CA C 73 58.310 58.310 59.693 -1.383 19800 534 1 2 . 1 1 73 73 LYS CB C 73 32.247 32.247 32.235 0.012 19800 535 1 2 . 1 1 74 74 THR N N 74 110.017 110.017 112.595 -2.578 19800 536 1 2 . 1 1 74 74 THR HA H 74 4.140 4.140 4.160 -0.020 19800 537 1 2 . 1 1 74 74 THR C C 74 174.574 174.574 175.286 -0.712 19800 538 1 2 . 1 1 74 74 THR CA C 74 63.019 63.019 64.452 -1.433 19800 539 1 2 . 1 1 74 74 THR CB C 74 69.394 69.394 68.431 0.963 19800 540 1 2 . 1 1 75 75 TYR N N 75 122.005 122.005 120.357 1.648 19800 541 1 2 . 1 1 75 75 TYR HA H 75 4.468 4.468 4.615 -0.147 19800 542 1 2 . 1 1 75 75 TYR C C 75 174.634 174.634 175.265 -0.631 19800 543 1 2 . 1 1 75 75 TYR CA C 75 58.964 58.964 58.092 0.872 19800 544 1 2 . 1 1 75 75 TYR CB C 75 38.945 38.945 38.925 0.020 19800 545 1 3 . 1 1 20 20 ASP N N 20 121.855 121.855 118.530 3.325 19800 546 1 3 . 1 1 20 20 ASP HA H 20 4.824 4.824 4.701 0.123 19800 547 1 3 . 1 1 20 20 ASP C C 20 176.378 176.378 176.281 0.097 19800 548 1 3 . 1 1 20 20 ASP CA C 20 54.063 54.063 53.537 0.526 19800 549 1 3 . 1 1 20 20 ASP CB C 20 41.753 41.753 41.115 0.638 19800 550 1 3 . 1 1 21 21 LYS N N 21 121.556 121.556 121.617 -0.061 19800 551 1 3 . 1 1 21 21 LYS HA H 21 4.493 4.493 4.247 0.246 19800 552 1 3 . 1 1 21 21 LYS C C 21 175.887 175.887 176.179 -0.292 19800 553 1 3 . 1 1 21 21 LYS CA C 21 54.395 54.395 55.677 -1.282 19800 554 1 3 . 1 1 21 21 LYS CB C 21 35.006 35.006 32.093 2.913 19800 555 1 3 . 1 1 22 22 ASP N N 22 123.097 123.097 122.560 0.537 19800 556 1 3 . 1 1 22 22 ASP HA H 22 4.558 4.558 4.614 -0.056 19800 557 1 3 . 1 1 22 22 ASP C C 22 175.402 175.402 176.081 -0.679 19800 558 1 3 . 1 1 22 22 ASP CA C 22 55.514 55.514 53.706 1.808 19800 559 1 3 . 1 1 22 22 ASP CB C 22 40.854 40.854 40.293 0.561 19800 560 1 3 . 1 1 23 23 LEU N N 23 126.265 126.265 125.461 0.804 19800 561 1 3 . 1 1 23 23 LEU HA H 23 4.680 4.680 4.537 0.143 19800 562 1 3 . 1 1 23 23 LEU C C 23 176.338 176.338 175.880 0.458 19800 563 1 3 . 1 1 23 23 LEU CA C 23 56.204 56.204 55.733 0.470 19800 564 1 3 . 1 1 23 23 LEU CB C 23 45.211 45.211 43.148 2.063 19800 565 1 3 . 1 1 24 24 LEU N N 24 114.484 114.484 117.290 -2.806 19800 566 1 3 . 1 1 24 24 LEU HA H 24 4.789 4.789 4.708 0.081 19800 567 1 3 . 1 1 24 24 LEU C C 24 174.976 174.976 174.640 0.336 19800 568 1 3 . 1 1 24 24 LEU CA C 24 53.674 53.674 53.403 0.271 19800 569 1 3 . 1 1 24 24 LEU CB C 24 49.345 49.345 45.952 3.393 19800 570 1 3 . 1 1 25 25 LYS N N 25 118.529 118.529 120.162 -1.633 19800 571 1 3 . 1 1 25 25 LYS HA H 25 4.994 4.994 4.726 0.269 19800 572 1 3 . 1 1 25 25 LYS C C 25 176.242 176.242 176.600 -0.358 19800 573 1 3 . 1 1 25 25 LYS CA C 25 55.210 55.210 55.217 -0.007 19800 574 1 3 . 1 1 25 25 LYS CB C 25 35.992 35.992 34.077 1.915 19800 575 1 3 . 1 1 26 26 GLY N N 26 107.756 107.756 113.137 -5.381 19800 576 1 3 . 1 1 26 26 GLY C C 26 176.034 176.034 174.526 1.508 19800 577 1 3 . 1 1 26 26 GLY CA C 26 46.394 46.394 45.710 0.684 19800 578 1 3 . 1 1 27 27 LEU N N 27 120.147 120.147 121.949 -1.802 19800 579 1 3 . 1 1 27 27 LEU HA H 27 4.601 4.601 4.464 0.137 19800 580 1 3 . 1 1 27 27 LEU C C 27 179.874 179.874 176.129 3.745 19800 581 1 3 . 1 1 27 27 LEU CA C 27 54.325 54.325 55.081 -0.756 19800 582 1 3 . 1 1 27 27 LEU CB C 27 43.622 43.622 43.572 0.050 19800 583 1 3 . 1 1 28 28 ASP N N 28 119.966 119.966 123.900 -3.934 19800 584 1 3 . 1 1 28 28 ASP HA H 28 5.096 5.096 4.757 0.339 19800 585 1 3 . 1 1 28 28 ASP C C 28 177.406 177.406 176.887 0.519 19800 586 1 3 . 1 1 28 28 ASP CA C 28 52.835 52.835 54.060 -1.225 19800 587 1 3 . 1 1 28 28 ASP CB C 28 41.180 41.180 43.262 -2.082 19800 588 1 3 . 1 1 29 29 GLN N N 29 118.219 118.219 123.312 -5.093 19800 589 1 3 . 1 1 29 29 GLN HA H 29 2.969 2.969 3.796 -0.827 19800 590 1 3 . 1 1 29 29 GLN C C 29 178.379 178.379 177.333 1.046 19800 591 1 3 . 1 1 29 29 GLN CA C 29 59.978 59.978 58.856 1.122 19800 592 1 3 . 1 1 29 29 GLN CB C 29 28.897 28.897 28.385 0.512 19800 593 1 3 . 1 1 30 30 GLU N N 30 118.429 118.429 117.204 1.225 19800 594 1 3 . 1 1 30 30 GLU HA H 30 3.986 3.986 4.025 -0.039 19800 595 1 3 . 1 1 30 30 GLU C C 30 182.812 182.812 178.592 4.220 19800 596 1 3 . 1 1 30 30 GLU CA C 30 59.730 59.730 58.805 0.925 19800 597 1 3 . 1 1 30 30 GLU CB C 30 28.936 28.936 29.110 -0.173 19800 598 1 3 . 1 1 31 31 GLN N N 31 120.672 120.672 117.845 2.827 19800 599 1 3 . 1 1 31 31 GLN HA H 31 4.068 4.068 4.341 -0.273 19800 600 1 3 . 1 1 31 31 GLN C C 31 180.864 180.864 178.129 2.735 19800 601 1 3 . 1 1 31 31 GLN CA C 31 58.612 58.612 56.976 1.636 19800 602 1 3 . 1 1 31 31 GLN CB C 31 29.844 29.844 29.112 0.732 19800 603 1 3 . 1 1 32 32 ALA N N 32 120.200 120.200 123.814 -3.614 19800 604 1 3 . 1 1 32 32 ALA HA H 32 3.771 3.771 4.013 -0.242 19800 605 1 3 . 1 1 32 32 ALA C C 32 180.339 180.339 178.421 1.918 19800 606 1 3 . 1 1 32 32 ALA CA C 32 55.122 55.122 54.743 0.379 19800 607 1 3 . 1 1 32 32 ALA CB C 32 17.289 17.289 18.145 -0.856 19800 608 1 3 . 1 1 33 33 ASN N N 33 115.507 115.507 116.870 -1.363 19800 609 1 3 . 1 1 33 33 ASN HA H 33 4.292 4.292 4.326 -0.034 19800 610 1 3 . 1 1 33 33 ASN C C 33 180.713 180.713 177.137 3.576 19800 611 1 3 . 1 1 33 33 ASN CA C 33 55.479 55.479 56.968 -1.490 19800 612 1 3 . 1 1 33 33 ASN CB C 33 37.104 37.104 38.348 -1.244 19800 613 1 3 . 1 1 34 34 GLU N N 34 122.826 122.826 119.076 3.750 19800 614 1 3 . 1 1 34 34 GLU HA H 34 4.083 4.083 4.020 0.063 19800 615 1 3 . 1 1 34 34 GLU C C 34 180.367 180.367 178.648 1.719 19800 616 1 3 . 1 1 34 34 GLU CA C 34 59.486 59.486 58.547 0.939 19800 617 1 3 . 1 1 34 34 GLU CB C 34 29.370 29.370 29.537 -0.167 19800 618 1 3 . 1 1 35 35 VAL N N 35 119.909 119.909 119.671 0.238 19800 619 1 3 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.504 -0.131 19800 620 1 3 . 1 1 35 35 VAL C C 35 179.502 179.502 178.063 1.439 19800 621 1 3 . 1 1 35 35 VAL CA C 35 66.809 66.809 65.674 1.135 19800 622 1 3 . 1 1 35 35 VAL CB C 35 31.000 31.000 32.000 -1.000 19800 623 1 3 . 1 1 36 36 ILE N N 36 118.626 118.626 120.394 -1.768 19800 624 1 3 . 1 1 36 36 ILE HA H 36 3.514 3.514 3.688 -0.174 19800 625 1 3 . 1 1 36 36 ILE C C 36 180.436 180.436 176.665 3.771 19800 626 1 3 . 1 1 36 36 ILE CA C 36 64.355 64.355 63.861 0.494 19800 627 1 3 . 1 1 36 36 ILE CB C 36 36.534 36.534 37.778 -1.244 19800 628 1 3 . 1 1 37 37 ALA N N 37 122.361 122.361 123.219 -0.858 19800 629 1 3 . 1 1 37 37 ALA HA H 37 4.145 4.145 3.958 0.187 19800 630 1 3 . 1 1 37 37 ALA C C 37 183.902 183.902 179.166 4.736 19800 631 1 3 . 1 1 37 37 ALA CA C 37 55.433 55.433 55.223 0.210 19800 632 1 3 . 1 1 37 37 ALA CB C 37 17.807 17.807 17.846 -0.039 19800 633 1 3 . 1 1 38 38 VAL N N 38 120.987 120.987 118.572 2.415 19800 634 1 3 . 1 1 38 38 VAL HA H 38 3.630 3.630 3.694 -0.064 19800 635 1 3 . 1 1 38 38 VAL C C 38 180.529 180.529 177.222 3.307 19800 636 1 3 . 1 1 38 38 VAL CA C 38 66.453 66.453 65.253 1.200 19800 637 1 3 . 1 1 38 38 VAL CB C 38 31.763 31.763 32.058 -0.295 19800 638 1 3 . 1 1 39 39 LEU N N 39 119.408 119.408 119.552 -0.144 19800 639 1 3 . 1 1 39 39 LEU HA H 39 3.929 3.929 4.027 -0.099 19800 640 1 3 . 1 1 39 39 LEU C C 39 183.063 183.063 179.056 4.007 19800 641 1 3 . 1 1 39 39 LEU CA C 39 58.544 58.544 57.437 1.107 19800 642 1 3 . 1 1 39 39 LEU CB C 39 39.409 39.409 40.595 -1.186 19800 643 1 3 . 1 1 40 40 GLN N N 40 121.514 121.514 119.831 1.683 19800 644 1 3 . 1 1 40 40 GLN HA H 40 3.928 3.928 4.038 -0.110 19800 645 1 3 . 1 1 40 40 GLN C C 40 183.366 183.366 179.178 4.188 19800 646 1 3 . 1 1 40 40 GLN CA C 40 59.324 59.324 58.706 0.618 19800 647 1 3 . 1 1 40 40 GLN CB C 40 28.254 28.254 28.676 -0.422 19800 648 1 3 . 1 1 41 41 MET N N 41 119.672 119.672 118.894 0.778 19800 649 1 3 . 1 1 41 41 MET HA H 41 4.032 4.032 4.184 -0.152 19800 650 1 3 . 1 1 41 41 MET C C 41 177.125 177.125 177.038 0.087 19800 651 1 3 . 1 1 41 41 MET CA C 41 57.763 57.763 57.224 0.539 19800 652 1 3 . 1 1 41 41 MET CB C 41 31.579 31.579 32.616 -1.037 19800 653 1 3 . 1 1 42 42 HIS N N 42 115.329 115.329 114.032 1.297 19800 654 1 3 . 1 1 42 42 HIS HA H 42 4.371 4.371 4.490 -0.119 19800 655 1 3 . 1 1 42 42 HIS C C 42 171.216 171.216 174.346 -3.130 19800 656 1 3 . 1 1 42 42 HIS CA C 42 54.601 54.601 56.236 -1.635 19800 657 1 3 . 1 1 42 42 HIS CB C 42 27.399 27.399 29.889 -2.490 19800 658 1 3 . 1 1 43 43 ASN N N 43 112.995 112.995 115.405 -2.410 19800 659 1 3 . 1 1 43 43 ASN HA H 43 4.293 4.293 4.353 -0.060 19800 660 1 3 . 1 1 43 43 ASN C C 43 173.011 173.011 174.251 -1.240 19800 661 1 3 . 1 1 43 43 ASN CA C 43 54.571 54.571 54.405 0.166 19800 662 1 3 . 1 1 43 43 ASN CB C 43 36.981 36.981 36.509 0.472 19800 663 1 3 . 1 1 44 44 ILE N N 44 120.077 120.077 119.917 0.160 19800 664 1 3 . 1 1 44 44 ILE HA H 44 4.225 4.225 4.370 -0.145 19800 665 1 3 . 1 1 44 44 ILE C C 44 174.630 174.630 175.106 -0.476 19800 666 1 3 . 1 1 44 44 ILE CA C 44 60.469 60.469 59.999 0.470 19800 667 1 3 . 1 1 44 44 ILE CB C 44 39.933 39.933 40.271 -0.338 19800 668 1 3 . 1 1 45 45 GLU N N 45 129.083 129.083 128.435 0.648 19800 669 1 3 . 1 1 45 45 GLU HA H 45 4.144 4.144 4.233 -0.089 19800 670 1 3 . 1 1 45 45 GLU C C 45 174.368 174.368 174.982 -0.614 19800 671 1 3 . 1 1 45 45 GLU CA C 45 56.121 56.121 56.656 -0.535 19800 672 1 3 . 1 1 45 45 GLU CB C 45 29.979 29.979 29.725 0.254 19800 673 1 3 . 1 1 46 46 ALA N N 46 127.014 127.014 129.576 -2.562 19800 674 1 3 . 1 1 46 46 ALA HA H 46 5.087 5.087 4.736 0.351 19800 675 1 3 . 1 1 46 46 ALA C C 46 175.515 175.515 176.201 -0.686 19800 676 1 3 . 1 1 46 46 ALA CA C 46 50.426 50.426 50.859 -0.433 19800 677 1 3 . 1 1 46 46 ALA CB C 46 23.581 23.581 20.528 3.053 19800 678 1 3 . 1 1 47 47 ASN N N 47 117.293 117.293 122.974 -5.681 19800 679 1 3 . 1 1 47 47 ASN HA H 47 5.059 5.059 5.048 0.011 19800 680 1 3 . 1 1 47 47 ASN C C 47 172.618 172.618 174.552 -1.934 19800 681 1 3 . 1 1 47 47 ASN CA C 47 51.733 51.733 52.529 -0.795 19800 682 1 3 . 1 1 47 47 ASN CB C 47 41.163 41.163 42.093 -0.930 19800 683 1 3 . 1 1 48 48 LYS N N 48 121.209 121.209 121.594 -0.385 19800 684 1 3 . 1 1 48 48 LYS HA H 48 5.302 5.302 5.254 0.048 19800 685 1 3 . 1 1 48 48 LYS C C 48 175.186 175.186 176.289 -1.103 19800 686 1 3 . 1 1 48 48 LYS CA C 48 54.377 54.377 55.474 -1.097 19800 687 1 3 . 1 1 48 48 LYS CB C 48 34.817 34.817 33.995 0.822 19800 688 1 3 . 1 1 49 49 ILE N N 49 127.508 127.508 121.045 6.463 19800 689 1 3 . 1 1 49 49 ILE HA H 49 4.335 4.335 4.533 -0.198 19800 690 1 3 . 1 1 49 49 ILE C C 49 175.247 175.247 174.048 1.199 19800 691 1 3 . 1 1 49 49 ILE CA C 49 59.683 59.683 59.880 -0.197 19800 692 1 3 . 1 1 49 49 ILE CB C 49 39.941 39.941 40.166 -0.225 19800 693 1 3 . 1 1 50 50 ASP N N 50 127.775 127.775 126.804 0.971 19800 694 1 3 . 1 1 50 50 ASP HA H 50 3.854 3.854 5.038 -1.184 19800 695 1 3 . 1 1 50 50 ASP C C 50 177.327 177.327 175.415 1.912 19800 696 1 3 . 1 1 50 50 ASP CA C 50 53.639 53.639 53.447 0.192 19800 697 1 3 . 1 1 50 50 ASP CB C 50 40.857 40.857 42.308 -1.451 19800 698 1 3 . 1 1 51 51 SER N N 51 123.948 123.948 120.816 3.132 19800 699 1 3 . 1 1 51 51 SER HA H 51 4.660 4.660 4.657 0.003 19800 700 1 3 . 1 1 51 51 SER C C 51 177.258 177.258 175.300 1.958 19800 701 1 3 . 1 1 51 51 SER CA C 51 57.111 57.111 57.306 -0.195 19800 702 1 3 . 1 1 51 51 SER CB C 51 63.271 63.271 65.269 -1.998 19800 703 1 3 . 1 1 52 52 GLY N N 52 112.626 112.626 111.297 1.329 19800 704 1 3 . 1 1 52 52 GLY C C 52 178.261 178.261 174.726 3.535 19800 705 1 3 . 1 1 52 52 GLY CA C 52 46.450 46.450 46.832 -0.382 19800 706 1 3 . 1 1 53 53 LYS HA H 53 4.119 4.119 4.190 -0.071 19800 707 1 3 . 1 1 53 53 LYS C C 53 178.526 178.526 176.203 2.323 19800 708 1 3 . 1 1 53 53 LYS CA C 53 58.349 58.349 57.307 1.042 19800 709 1 3 . 1 1 53 53 LYS CB C 53 32.038 32.038 31.578 0.460 19800 710 1 3 . 1 1 54 54 LEU N N 54 117.133 117.133 118.308 -1.175 19800 711 1 3 . 1 1 54 54 LEU HA H 54 4.309 4.309 4.542 -0.233 19800 712 1 3 . 1 1 54 54 LEU C C 54 178.832 178.832 177.409 1.423 19800 713 1 3 . 1 1 54 54 LEU CA C 54 54.958 54.958 55.432 -0.474 19800 714 1 3 . 1 1 54 54 LEU CB C 54 41.155 41.155 44.460 -3.305 19800 715 1 3 . 1 1 55 55 GLY N N 55 106.946 106.946 107.614 -0.668 19800 716 1 3 . 1 1 55 55 GLY C C 55 172.511 172.511 172.499 0.012 19800 717 1 3 . 1 1 55 55 GLY CA C 55 44.519 44.519 45.484 -0.965 19800 718 1 3 . 1 1 56 56 TYR N N 56 119.500 119.500 122.671 -3.171 19800 719 1 3 . 1 1 56 56 TYR HA H 56 5.267 5.267 5.181 0.086 19800 720 1 3 . 1 1 56 56 TYR C C 56 177.412 177.412 174.685 2.727 19800 721 1 3 . 1 1 56 56 TYR CA C 56 57.986 57.986 57.305 0.681 19800 722 1 3 . 1 1 56 56 TYR CB C 56 40.838 40.838 41.426 -0.588 19800 723 1 3 . 1 1 57 57 SER N N 57 114.460 114.460 116.798 -2.338 19800 724 1 3 . 1 1 57 57 SER HA H 57 5.386 5.386 4.965 0.421 19800 725 1 3 . 1 1 57 57 SER C C 57 171.818 171.818 172.695 -0.877 19800 726 1 3 . 1 1 57 57 SER CA C 57 55.817 55.817 56.697 -0.880 19800 727 1 3 . 1 1 57 57 SER CB C 57 65.566 65.566 67.196 -1.630 19800 728 1 3 . 1 1 58 58 ILE N N 58 121.240 121.240 121.627 -0.387 19800 729 1 3 . 1 1 58 58 ILE HA H 58 5.538 5.538 4.935 0.603 19800 730 1 3 . 1 1 58 58 ILE C C 58 176.822 176.822 176.070 0.752 19800 731 1 3 . 1 1 58 58 ILE CA C 58 57.040 57.040 59.424 -2.384 19800 732 1 3 . 1 1 58 58 ILE CB C 58 39.157 39.157 37.624 1.533 19800 733 1 3 . 1 1 59 59 THR N N 59 118.505 118.505 122.726 -4.221 19800 734 1 3 . 1 1 59 59 THR HA H 59 5.435 5.435 4.838 0.597 19800 735 1 3 . 1 1 59 59 THR C C 59 172.703 172.703 173.814 -1.111 19800 736 1 3 . 1 1 59 59 THR CA C 59 58.889 58.889 60.631 -1.742 19800 737 1 3 . 1 1 59 59 THR CB C 59 71.574 71.574 70.488 1.086 19800 738 1 3 . 1 1 60 60 VAL N N 60 111.299 111.299 119.998 -8.699 19800 739 1 3 . 1 1 60 60 VAL HA H 60 4.787 4.787 4.698 0.089 19800 740 1 3 . 1 1 60 60 VAL C C 60 173.802 173.802 174.457 -0.655 19800 741 1 3 . 1 1 60 60 VAL CA C 60 58.594 58.594 58.462 0.132 19800 742 1 3 . 1 1 60 60 VAL CB C 60 36.560 36.560 35.520 1.040 19800 743 1 3 . 1 1 61 61 ALA N N 61 125.688 125.688 121.896 3.792 19800 744 1 3 . 1 1 61 61 ALA HA H 61 4.678 4.678 4.274 0.404 19800 745 1 3 . 1 1 61 61 ALA C C 61 182.244 182.244 178.262 3.982 19800 746 1 3 . 1 1 61 61 ALA CA C 61 52.304 52.304 52.494 -0.190 19800 747 1 3 . 1 1 61 61 ALA CB C 61 19.742 19.742 19.384 0.358 19800 748 1 3 . 1 1 62 62 GLU N N 62 122.612 122.612 121.585 1.027 19800 749 1 3 . 1 1 62 62 GLU HA H 62 3.970 3.970 4.050 -0.080 19800 750 1 3 . 1 1 62 62 GLU C C 62 175.922 175.922 177.405 -1.483 19800 751 1 3 . 1 1 62 62 GLU CA C 62 62.328 62.328 60.918 1.410 19800 752 1 3 . 1 1 62 62 GLU CB C 62 27.421 27.421 27.534 -0.113 19800 753 1 3 . 1 1 63 63 PRO HA H 63 4.486 4.486 4.309 0.177 19800 754 1 3 . 1 1 63 63 PRO C C 63 178.721 178.721 177.961 0.760 19800 755 1 3 . 1 1 63 63 PRO CA C 63 65.517 65.517 65.550 -0.033 19800 756 1 3 . 1 1 63 63 PRO CB C 63 31.124 31.124 31.272 -0.148 19800 757 1 3 . 1 1 64 64 ASP N N 64 115.002 115.002 118.078 -3.076 19800 758 1 3 . 1 1 64 64 ASP HA H 64 4.994 4.994 4.667 0.327 19800 759 1 3 . 1 1 64 64 ASP C C 64 176.565 176.565 177.169 -0.604 19800 760 1 3 . 1 1 64 64 ASP CA C 64 54.701 54.701 55.383 -0.682 19800 761 1 3 . 1 1 64 64 ASP CB C 64 43.082 43.082 40.383 2.700 19800 762 1 3 . 1 1 65 65 PHE N N 65 122.010 122.010 121.874 0.136 19800 763 1 3 . 1 1 65 65 PHE HA H 65 3.926 3.926 4.164 -0.238 19800 764 1 3 . 1 1 65 65 PHE C C 65 175.918 175.918 176.667 -0.749 19800 765 1 3 . 1 1 65 65 PHE CA C 65 63.611 63.611 61.035 2.576 19800 766 1 3 . 1 1 65 65 PHE CB C 65 40.354 40.354 39.347 1.007 19800 767 1 3 . 1 1 66 66 THR N N 66 112.195 112.195 114.878 -2.683 19800 768 1 3 . 1 1 66 66 THR HA H 66 3.660 3.660 3.857 -0.197 19800 769 1 3 . 1 1 66 66 THR C C 66 178.106 178.106 176.194 1.912 19800 770 1 3 . 1 1 66 66 THR CA C 66 66.742 66.742 66.273 0.469 19800 771 1 3 . 1 1 66 66 THR CB C 66 68.412 68.412 68.702 -0.290 19800 772 1 3 . 1 1 67 67 ALA N N 67 124.955 124.955 122.796 2.159 19800 773 1 3 . 1 1 67 67 ALA HA H 67 4.044 4.044 3.754 0.290 19800 774 1 3 . 1 1 67 67 ALA C C 67 180.268 180.268 178.666 1.602 19800 775 1 3 . 1 1 67 67 ALA CA C 67 54.618 54.618 54.649 -0.031 19800 776 1 3 . 1 1 67 67 ALA CB C 67 18.408 18.408 17.811 0.597 19800 777 1 3 . 1 1 68 68 ALA N N 68 119.593 119.593 121.102 -1.509 19800 778 1 3 . 1 1 68 68 ALA HA H 68 3.966 3.966 4.020 -0.054 19800 779 1 3 . 1 1 68 68 ALA C C 68 181.033 181.033 179.427 1.606 19800 780 1 3 . 1 1 68 68 ALA CA C 68 55.623 55.623 54.959 0.664 19800 781 1 3 . 1 1 68 68 ALA CB C 68 19.802 19.802 17.916 1.886 19800 782 1 3 . 1 1 69 69 VAL N N 69 115.582 115.582 118.346 -2.764 19800 783 1 3 . 1 1 69 69 VAL HA H 69 3.257 3.257 3.394 -0.137 19800 784 1 3 . 1 1 69 69 VAL C C 69 179.000 179.000 178.060 0.940 19800 785 1 3 . 1 1 69 69 VAL CA C 69 66.077 66.077 66.500 -0.423 19800 786 1 3 . 1 1 69 69 VAL CB C 69 31.684 31.684 30.791 0.893 19800 787 1 3 . 1 1 70 70 TYR N N 70 118.722 118.722 119.316 -0.594 19800 788 1 3 . 1 1 70 70 TYR HA H 70 3.805 3.805 3.994 -0.189 19800 789 1 3 . 1 1 70 70 TYR C C 70 180.084 180.084 178.125 1.959 19800 790 1 3 . 1 1 70 70 TYR CA C 70 61.459 61.459 62.490 -1.031 19800 791 1 3 . 1 1 70 70 TYR CB C 70 37.712 37.712 37.511 0.201 19800 792 1 3 . 1 1 71 71 TRP N N 71 117.180 117.180 119.131 -1.951 19800 793 1 3 . 1 1 71 71 TRP HA H 71 4.482 4.482 4.281 0.201 19800 794 1 3 . 1 1 71 71 TRP C C 71 180.643 180.643 178.933 1.710 19800 795 1 3 . 1 1 71 71 TRP CA C 71 58.833 58.833 58.943 -0.110 19800 796 1 3 . 1 1 71 71 TRP CB C 71 30.133 30.133 29.478 0.655 19800 797 1 3 . 1 1 72 72 ILE N N 72 113.422 113.422 117.970 -4.548 19800 798 1 3 . 1 1 72 72 ILE HA H 72 4.452 4.452 3.809 0.643 19800 799 1 3 . 1 1 72 72 ILE C C 72 178.490 178.490 178.212 0.278 19800 800 1 3 . 1 1 72 72 ILE CA C 72 61.563 61.563 62.817 -1.254 19800 801 1 3 . 1 1 72 72 ILE CB C 72 37.491 37.491 36.642 0.849 19800 802 1 3 . 1 1 73 73 LYS N N 73 120.911 120.911 119.928 0.983 19800 803 1 3 . 1 1 73 73 LYS HA H 73 4.177 4.177 4.151 0.026 19800 804 1 3 . 1 1 73 73 LYS C C 73 179.460 179.460 177.950 1.510 19800 805 1 3 . 1 1 73 73 LYS CA C 73 58.310 58.310 58.587 -0.277 19800 806 1 3 . 1 1 73 73 LYS CB C 73 32.247 32.247 31.742 0.505 19800 807 1 3 . 1 1 74 74 THR N N 74 110.017 110.017 113.363 -3.346 19800 808 1 3 . 1 1 74 74 THR HA H 74 4.140 4.140 4.372 -0.232 19800 809 1 3 . 1 1 74 74 THR C C 74 174.574 174.574 175.276 -0.702 19800 810 1 3 . 1 1 74 74 THR CA C 74 63.019 63.019 64.162 -1.143 19800 811 1 3 . 1 1 74 74 THR CB C 74 69.394 69.394 69.162 0.232 19800 812 1 3 . 1 1 75 75 TYR N N 75 122.005 122.005 121.175 0.830 19800 813 1 3 . 1 1 75 75 TYR HA H 75 4.468 4.468 4.582 -0.114 19800 814 1 3 . 1 1 75 75 TYR C C 75 174.634 174.634 175.981 -1.347 19800 815 1 3 . 1 1 75 75 TYR CA C 75 58.964 58.964 59.555 -0.591 19800 816 1 3 . 1 1 75 75 TYR CB C 75 38.945 38.945 39.798 -0.853 19800 817 1 4 . 1 1 20 20 ASP N N 20 121.855 121.855 118.207 3.648 19800 818 1 4 . 1 1 20 20 ASP HA H 20 4.824 4.824 4.604 0.220 19800 819 1 4 . 1 1 20 20 ASP C C 20 176.378 176.378 175.318 1.060 19800 820 1 4 . 1 1 20 20 ASP CA C 20 54.063 54.063 53.750 0.313 19800 821 1 4 . 1 1 20 20 ASP CB C 20 41.753 41.753 41.149 0.604 19800 822 1 4 . 1 1 21 21 LYS N N 21 121.556 121.556 121.117 0.439 19800 823 1 4 . 1 1 21 21 LYS HA H 21 4.493 4.493 4.280 0.213 19800 824 1 4 . 1 1 21 21 LYS C C 21 175.887 175.887 175.855 0.032 19800 825 1 4 . 1 1 21 21 LYS CA C 21 54.395 54.395 54.791 -0.396 19800 826 1 4 . 1 1 21 21 LYS CB C 21 35.006 35.006 32.263 2.743 19800 827 1 4 . 1 1 22 22 ASP N N 22 123.097 123.097 125.733 -2.636 19800 828 1 4 . 1 1 22 22 ASP HA H 22 4.558 4.558 4.433 0.125 19800 829 1 4 . 1 1 22 22 ASP C C 22 175.402 175.402 175.988 -0.586 19800 830 1 4 . 1 1 22 22 ASP CA C 22 55.514 55.514 55.463 0.051 19800 831 1 4 . 1 1 22 22 ASP CB C 22 40.854 40.854 40.543 0.311 19800 832 1 4 . 1 1 23 23 LEU N N 23 126.265 126.265 125.833 0.432 19800 833 1 4 . 1 1 23 23 LEU HA H 23 4.680 4.680 4.678 0.002 19800 834 1 4 . 1 1 23 23 LEU C C 23 176.338 176.338 176.321 0.017 19800 835 1 4 . 1 1 23 23 LEU CA C 23 56.204 56.204 56.282 -0.078 19800 836 1 4 . 1 1 23 23 LEU CB C 23 45.211 45.211 43.503 1.708 19800 837 1 4 . 1 1 24 24 LEU N N 24 114.484 114.484 118.360 -3.876 19800 838 1 4 . 1 1 24 24 LEU HA H 24 4.789 4.789 4.648 0.141 19800 839 1 4 . 1 1 24 24 LEU C C 24 174.976 174.976 175.472 -0.496 19800 840 1 4 . 1 1 24 24 LEU CA C 24 53.674 53.674 54.123 -0.449 19800 841 1 4 . 1 1 24 24 LEU CB C 24 49.345 49.345 43.374 5.971 19800 842 1 4 . 1 1 25 25 LYS N N 25 118.529 118.529 123.700 -5.171 19800 843 1 4 . 1 1 25 25 LYS HA H 25 4.994 4.994 4.827 0.167 19800 844 1 4 . 1 1 25 25 LYS C C 25 176.242 176.242 177.025 -0.783 19800 845 1 4 . 1 1 25 25 LYS CA C 25 55.210 55.210 55.494 -0.284 19800 846 1 4 . 1 1 25 25 LYS CB C 25 35.992 35.992 33.059 2.933 19800 847 1 4 . 1 1 26 26 GLY N N 26 107.756 107.756 111.956 -4.200 19800 848 1 4 . 1 1 26 26 GLY C C 26 176.034 176.034 173.766 2.268 19800 849 1 4 . 1 1 26 26 GLY CA C 26 46.394 46.394 45.311 1.083 19800 850 1 4 . 1 1 27 27 LEU N N 27 120.147 120.147 122.482 -2.335 19800 851 1 4 . 1 1 27 27 LEU HA H 27 4.601 4.601 4.584 0.017 19800 852 1 4 . 1 1 27 27 LEU C C 27 179.874 179.874 175.703 4.171 19800 853 1 4 . 1 1 27 27 LEU CA C 27 54.325 54.325 54.157 0.168 19800 854 1 4 . 1 1 27 27 LEU CB C 27 43.622 43.622 43.143 0.479 19800 855 1 4 . 1 1 28 28 ASP N N 28 119.966 119.966 122.922 -2.956 19800 856 1 4 . 1 1 28 28 ASP HA H 28 5.096 5.096 4.982 0.114 19800 857 1 4 . 1 1 28 28 ASP C C 28 177.406 177.406 177.005 0.401 19800 858 1 4 . 1 1 28 28 ASP CA C 28 52.835 52.835 53.460 -0.625 19800 859 1 4 . 1 1 28 28 ASP CB C 28 41.180 41.180 42.898 -1.718 19800 860 1 4 . 1 1 29 29 GLN N N 29 118.219 118.219 119.565 -1.346 19800 861 1 4 . 1 1 29 29 GLN HA H 29 2.969 2.969 3.892 -0.923 19800 862 1 4 . 1 1 29 29 GLN C C 29 178.379 178.379 177.869 0.510 19800 863 1 4 . 1 1 29 29 GLN CA C 29 59.978 59.978 59.285 0.694 19800 864 1 4 . 1 1 29 29 GLN CB C 29 28.897 28.897 28.519 0.378 19800 865 1 4 . 1 1 30 30 GLU N N 30 118.429 118.429 116.952 1.477 19800 866 1 4 . 1 1 30 30 GLU HA H 30 3.986 3.986 4.007 -0.021 19800 867 1 4 . 1 1 30 30 GLU C C 30 182.812 182.812 178.199 4.613 19800 868 1 4 . 1 1 30 30 GLU CA C 30 59.730 59.730 58.528 1.202 19800 869 1 4 . 1 1 30 30 GLU CB C 30 28.936 28.936 29.085 -0.149 19800 870 1 4 . 1 1 31 31 GLN N N 31 120.672 120.672 119.655 1.017 19800 871 1 4 . 1 1 31 31 GLN HA H 31 4.068 4.068 4.204 -0.136 19800 872 1 4 . 1 1 31 31 GLN C C 31 180.864 180.864 178.097 2.767 19800 873 1 4 . 1 1 31 31 GLN CA C 31 58.612 58.612 57.720 0.892 19800 874 1 4 . 1 1 31 31 GLN CB C 31 29.844 29.844 29.072 0.772 19800 875 1 4 . 1 1 32 32 ALA N N 32 120.200 120.200 123.024 -2.824 19800 876 1 4 . 1 1 32 32 ALA HA H 32 3.771 3.771 4.008 -0.237 19800 877 1 4 . 1 1 32 32 ALA C C 32 180.339 180.339 178.848 1.491 19800 878 1 4 . 1 1 32 32 ALA CA C 32 55.122 55.122 54.413 0.709 19800 879 1 4 . 1 1 32 32 ALA CB C 32 17.289 17.289 17.989 -0.700 19800 880 1 4 . 1 1 33 33 ASN N N 33 115.507 115.507 117.362 -1.855 19800 881 1 4 . 1 1 33 33 ASN HA H 33 4.292 4.292 4.301 -0.009 19800 882 1 4 . 1 1 33 33 ASN C C 33 180.713 180.713 177.020 3.693 19800 883 1 4 . 1 1 33 33 ASN CA C 33 55.479 55.479 56.812 -1.333 19800 884 1 4 . 1 1 33 33 ASN CB C 33 37.104 37.104 38.228 -1.124 19800 885 1 4 . 1 1 34 34 GLU N N 34 122.826 122.826 118.800 4.026 19800 886 1 4 . 1 1 34 34 GLU HA H 34 4.083 4.083 4.017 0.066 19800 887 1 4 . 1 1 34 34 GLU C C 34 180.367 180.367 178.674 1.693 19800 888 1 4 . 1 1 34 34 GLU CA C 34 59.486 59.486 58.989 0.497 19800 889 1 4 . 1 1 34 34 GLU CB C 34 29.370 29.370 29.264 0.106 19800 890 1 4 . 1 1 35 35 VAL N N 35 119.909 119.909 118.845 1.064 19800 891 1 4 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.740 -0.367 19800 892 1 4 . 1 1 35 35 VAL C C 35 179.502 179.502 177.662 1.840 19800 893 1 4 . 1 1 35 35 VAL CA C 35 66.809 66.809 64.358 2.451 19800 894 1 4 . 1 1 35 35 VAL CB C 35 31.000 31.000 31.820 -0.820 19800 895 1 4 . 1 1 36 36 ILE N N 36 118.626 118.626 120.990 -2.364 19800 896 1 4 . 1 1 36 36 ILE HA H 36 3.514 3.514 3.594 -0.080 19800 897 1 4 . 1 1 36 36 ILE C C 36 180.436 180.436 176.982 3.454 19800 898 1 4 . 1 1 36 36 ILE CA C 36 64.355 64.355 64.778 -0.423 19800 899 1 4 . 1 1 36 36 ILE CB C 36 36.534 36.534 37.718 -1.184 19800 900 1 4 . 1 1 37 37 ALA N N 37 122.361 122.361 122.059 0.302 19800 901 1 4 . 1 1 37 37 ALA HA H 37 4.145 4.145 4.029 0.116 19800 902 1 4 . 1 1 37 37 ALA C C 37 183.902 183.902 179.551 4.351 19800 903 1 4 . 1 1 37 37 ALA CA C 37 55.433 55.433 54.936 0.497 19800 904 1 4 . 1 1 37 37 ALA CB C 37 17.807 17.807 18.150 -0.343 19800 905 1 4 . 1 1 38 38 VAL N N 38 120.987 120.987 119.499 1.488 19800 906 1 4 . 1 1 38 38 VAL HA H 38 3.630 3.630 3.428 0.202 19800 907 1 4 . 1 1 38 38 VAL C C 38 180.529 180.529 177.797 2.732 19800 908 1 4 . 1 1 38 38 VAL CA C 38 66.453 66.453 65.922 0.531 19800 909 1 4 . 1 1 38 38 VAL CB C 38 31.763 31.763 31.594 0.169 19800 910 1 4 . 1 1 39 39 LEU N N 39 119.408 119.408 118.962 0.446 19800 911 1 4 . 1 1 39 39 LEU HA H 39 3.929 3.929 3.991 -0.062 19800 912 1 4 . 1 1 39 39 LEU C C 39 183.063 183.063 179.492 3.571 19800 913 1 4 . 1 1 39 39 LEU CA C 39 58.544 58.544 57.365 1.179 19800 914 1 4 . 1 1 39 39 LEU CB C 39 39.409 39.409 40.484 -1.075 19800 915 1 4 . 1 1 40 40 GLN N N 40 121.514 121.514 117.428 4.086 19800 916 1 4 . 1 1 40 40 GLN HA H 40 3.928 3.928 4.053 -0.125 19800 917 1 4 . 1 1 40 40 GLN C C 40 183.366 183.366 179.299 4.067 19800 918 1 4 . 1 1 40 40 GLN CA C 40 59.324 59.324 58.458 0.866 19800 919 1 4 . 1 1 40 40 GLN CB C 40 28.254 28.254 28.555 -0.301 19800 920 1 4 . 1 1 41 41 MET N N 41 119.672 119.672 119.338 0.334 19800 921 1 4 . 1 1 41 41 MET HA H 41 4.032 4.032 4.202 -0.170 19800 922 1 4 . 1 1 41 41 MET C C 41 177.125 177.125 176.924 0.201 19800 923 1 4 . 1 1 41 41 MET CA C 41 57.763 57.763 58.002 -0.239 19800 924 1 4 . 1 1 41 41 MET CB C 41 31.579 31.579 32.700 -1.121 19800 925 1 4 . 1 1 42 42 HIS N N 42 115.329 115.329 113.950 1.379 19800 926 1 4 . 1 1 42 42 HIS HA H 42 4.371 4.371 4.479 -0.108 19800 927 1 4 . 1 1 42 42 HIS C C 42 171.216 171.216 173.980 -2.764 19800 928 1 4 . 1 1 42 42 HIS CA C 42 54.601 54.601 54.822 -0.221 19800 929 1 4 . 1 1 42 42 HIS CB C 42 27.399 27.399 29.730 -2.331 19800 930 1 4 . 1 1 43 43 ASN N N 43 112.995 112.995 116.584 -3.589 19800 931 1 4 . 1 1 43 43 ASN HA H 43 4.293 4.293 4.306 -0.013 19800 932 1 4 . 1 1 43 43 ASN C C 43 173.011 173.011 174.360 -1.349 19800 933 1 4 . 1 1 43 43 ASN CA C 43 54.571 54.571 54.118 0.453 19800 934 1 4 . 1 1 43 43 ASN CB C 43 36.981 36.981 37.345 -0.364 19800 935 1 4 . 1 1 44 44 ILE N N 44 120.077 120.077 119.455 0.622 19800 936 1 4 . 1 1 44 44 ILE HA H 44 4.225 4.225 4.463 -0.238 19800 937 1 4 . 1 1 44 44 ILE C C 44 174.630 174.630 174.961 -0.331 19800 938 1 4 . 1 1 44 44 ILE CA C 44 60.469 60.469 60.005 0.464 19800 939 1 4 . 1 1 44 44 ILE CB C 44 39.933 39.933 40.096 -0.163 19800 940 1 4 . 1 1 45 45 GLU N N 45 129.083 129.083 128.160 0.923 19800 941 1 4 . 1 1 45 45 GLU HA H 45 4.144 4.144 4.303 -0.159 19800 942 1 4 . 1 1 45 45 GLU C C 45 174.368 174.368 175.181 -0.813 19800 943 1 4 . 1 1 45 45 GLU CA C 45 56.121 56.121 56.527 -0.406 19800 944 1 4 . 1 1 45 45 GLU CB C 45 29.979 29.979 29.522 0.457 19800 945 1 4 . 1 1 46 46 ALA N N 46 127.014 127.014 128.802 -1.788 19800 946 1 4 . 1 1 46 46 ALA HA H 46 5.087 5.087 4.758 0.329 19800 947 1 4 . 1 1 46 46 ALA C C 46 175.515 175.515 176.787 -1.272 19800 948 1 4 . 1 1 46 46 ALA CA C 46 50.426 50.426 50.892 -0.466 19800 949 1 4 . 1 1 46 46 ALA CB C 46 23.581 23.581 20.942 2.639 19800 950 1 4 . 1 1 47 47 ASN N N 47 117.293 117.293 120.285 -2.992 19800 951 1 4 . 1 1 47 47 ASN HA H 47 5.059 5.059 4.987 0.072 19800 952 1 4 . 1 1 47 47 ASN C C 47 172.618 172.618 173.465 -0.847 19800 953 1 4 . 1 1 47 47 ASN CA C 47 51.733 51.733 52.373 -0.640 19800 954 1 4 . 1 1 47 47 ASN CB C 47 41.163 41.163 42.120 -0.957 19800 955 1 4 . 1 1 48 48 LYS N N 48 121.209 121.209 122.583 -1.374 19800 956 1 4 . 1 1 48 48 LYS HA H 48 5.302 5.302 4.751 0.551 19800 957 1 4 . 1 1 48 48 LYS C C 48 175.186 175.186 176.351 -1.165 19800 958 1 4 . 1 1 48 48 LYS CA C 48 54.377 54.377 55.306 -0.930 19800 959 1 4 . 1 1 48 48 LYS CB C 48 34.817 34.817 32.725 2.092 19800 960 1 4 . 1 1 49 49 ILE N N 49 127.508 127.508 125.199 2.309 19800 961 1 4 . 1 1 49 49 ILE HA H 49 4.335 4.335 4.642 -0.307 19800 962 1 4 . 1 1 49 49 ILE C C 49 175.247 175.247 174.226 1.021 19800 963 1 4 . 1 1 49 49 ILE CA C 49 59.683 59.683 60.089 -0.406 19800 964 1 4 . 1 1 49 49 ILE CB C 49 39.941 39.941 39.390 0.551 19800 965 1 4 . 1 1 50 50 ASP N N 50 127.775 127.775 126.104 1.671 19800 966 1 4 . 1 1 50 50 ASP HA H 50 3.854 3.854 5.519 -1.665 19800 967 1 4 . 1 1 50 50 ASP C C 50 177.327 177.327 175.446 1.881 19800 968 1 4 . 1 1 50 50 ASP CA C 50 53.639 53.639 52.304 1.335 19800 969 1 4 . 1 1 50 50 ASP CB C 50 40.857 40.857 42.879 -2.022 19800 970 1 4 . 1 1 51 51 SER N N 51 123.948 123.948 116.408 7.540 19800 971 1 4 . 1 1 51 51 SER HA H 51 4.660 4.660 4.586 0.074 19800 972 1 4 . 1 1 51 51 SER C C 51 177.258 177.258 175.317 1.941 19800 973 1 4 . 1 1 51 51 SER CA C 51 57.111 57.111 57.362 -0.251 19800 974 1 4 . 1 1 51 51 SER CB C 51 63.271 63.271 65.417 -2.146 19800 975 1 4 . 1 1 52 52 GLY N N 52 112.626 112.626 110.900 1.726 19800 976 1 4 . 1 1 52 52 GLY C C 52 178.261 178.261 174.616 3.645 19800 977 1 4 . 1 1 52 52 GLY CA C 52 46.450 46.450 46.867 -0.417 19800 978 1 4 . 1 1 53 53 LYS HA H 53 4.119 4.119 4.212 -0.093 19800 979 1 4 . 1 1 53 53 LYS C C 53 178.526 178.526 176.420 2.106 19800 980 1 4 . 1 1 53 53 LYS CA C 53 58.349 58.349 57.627 0.722 19800 981 1 4 . 1 1 53 53 LYS CB C 53 32.038 32.038 31.825 0.213 19800 982 1 4 . 1 1 54 54 LEU N N 54 117.133 117.133 119.304 -2.171 19800 983 1 4 . 1 1 54 54 LEU HA H 54 4.309 4.309 4.415 -0.106 19800 984 1 4 . 1 1 54 54 LEU C C 54 178.832 178.832 177.083 1.749 19800 985 1 4 . 1 1 54 54 LEU CA C 54 54.958 54.958 55.023 -0.065 19800 986 1 4 . 1 1 54 54 LEU CB C 54 41.155 41.155 44.270 -3.115 19800 987 1 4 . 1 1 55 55 GLY N N 55 106.946 106.946 107.449 -0.503 19800 988 1 4 . 1 1 55 55 GLY C C 55 172.511 172.511 172.788 -0.277 19800 989 1 4 . 1 1 55 55 GLY CA C 55 44.519 44.519 45.112 -0.593 19800 990 1 4 . 1 1 56 56 TYR N N 56 119.500 119.500 122.165 -2.665 19800 991 1 4 . 1 1 56 56 TYR HA H 56 5.267 5.267 5.142 0.125 19800 992 1 4 . 1 1 56 56 TYR C C 56 177.412 177.412 175.000 2.412 19800 993 1 4 . 1 1 56 56 TYR CA C 56 57.986 57.986 57.459 0.527 19800 994 1 4 . 1 1 56 56 TYR CB C 56 40.838 40.838 40.806 0.032 19800 995 1 4 . 1 1 57 57 SER N N 57 114.460 114.460 117.268 -2.808 19800 996 1 4 . 1 1 57 57 SER HA H 57 5.386 5.386 4.836 0.550 19800 997 1 4 . 1 1 57 57 SER C C 57 171.818 171.818 173.026 -1.208 19800 998 1 4 . 1 1 57 57 SER CA C 57 55.817 55.817 56.286 -0.469 19800 999 1 4 . 1 1 57 57 SER CB C 57 65.566 65.566 66.192 -0.626 19800 1000 1 4 . 1 1 58 58 ILE N N 58 121.240 121.240 122.651 -1.411 19800 1001 1 4 . 1 1 58 58 ILE HA H 58 5.538 5.538 4.742 0.796 19800 1002 1 4 . 1 1 58 58 ILE C C 58 176.822 176.822 175.550 1.272 19800 1003 1 4 . 1 1 58 58 ILE CA C 58 57.040 57.040 59.295 -2.255 19800 1004 1 4 . 1 1 58 58 ILE CB C 58 39.157 39.157 37.079 2.078 19800 1005 1 4 . 1 1 59 59 THR N N 59 118.505 118.505 123.080 -4.575 19800 1006 1 4 . 1 1 59 59 THR HA H 59 5.435 5.435 4.769 0.666 19800 1007 1 4 . 1 1 59 59 THR C C 59 172.703 172.703 173.721 -1.018 19800 1008 1 4 . 1 1 59 59 THR CA C 59 58.889 58.889 60.355 -1.466 19800 1009 1 4 . 1 1 59 59 THR CB C 59 71.574 71.574 70.054 1.520 19800 1010 1 4 . 1 1 60 60 VAL N N 60 111.299 111.299 121.527 -10.228 19800 1011 1 4 . 1 1 60 60 VAL HA H 60 4.787 4.787 5.300 -0.513 19800 1012 1 4 . 1 1 60 60 VAL C C 60 173.802 173.802 175.347 -1.545 19800 1013 1 4 . 1 1 60 60 VAL CA C 60 58.594 58.594 58.541 0.053 19800 1014 1 4 . 1 1 60 60 VAL CB C 60 36.560 36.560 34.879 1.681 19800 1015 1 4 . 1 1 61 61 ALA N N 61 125.688 125.688 121.399 4.289 19800 1016 1 4 . 1 1 61 61 ALA HA H 61 4.678 4.678 4.135 0.543 19800 1017 1 4 . 1 1 61 61 ALA C C 61 182.244 182.244 178.771 3.473 19800 1018 1 4 . 1 1 61 61 ALA CA C 61 52.304 52.304 53.100 -0.796 19800 1019 1 4 . 1 1 61 61 ALA CB C 61 19.742 19.742 19.247 0.496 19800 1020 1 4 . 1 1 62 62 GLU N N 62 122.612 122.612 123.369 -0.757 19800 1021 1 4 . 1 1 62 62 GLU HA H 62 3.970 3.970 4.067 -0.097 19800 1022 1 4 . 1 1 62 62 GLU C C 62 175.922 175.922 176.951 -1.029 19800 1023 1 4 . 1 1 62 62 GLU CA C 62 62.328 62.328 61.283 1.045 19800 1024 1 4 . 1 1 62 62 GLU CB C 62 27.421 27.421 28.584 -1.163 19800 1025 1 4 . 1 1 63 63 PRO HA H 63 4.486 4.486 4.425 0.061 19800 1026 1 4 . 1 1 63 63 PRO C C 63 178.721 178.721 177.756 0.965 19800 1027 1 4 . 1 1 63 63 PRO CA C 63 65.517 65.517 64.689 0.828 19800 1028 1 4 . 1 1 63 63 PRO CB C 63 31.124 31.124 31.476 -0.352 19800 1029 1 4 . 1 1 64 64 ASP N N 64 115.002 115.002 118.665 -3.663 19800 1030 1 4 . 1 1 64 64 ASP HA H 64 4.994 4.994 4.695 0.299 19800 1031 1 4 . 1 1 64 64 ASP C C 64 176.565 176.565 176.786 -0.221 19800 1032 1 4 . 1 1 64 64 ASP CA C 64 54.701 54.701 55.290 -0.589 19800 1033 1 4 . 1 1 64 64 ASP CB C 64 43.082 43.082 40.754 2.328 19800 1034 1 4 . 1 1 65 65 PHE N N 65 122.010 122.010 121.401 0.609 19800 1035 1 4 . 1 1 65 65 PHE HA H 65 3.926 3.926 4.169 -0.243 19800 1036 1 4 . 1 1 65 65 PHE C C 65 175.918 175.918 176.426 -0.508 19800 1037 1 4 . 1 1 65 65 PHE CA C 65 63.611 63.611 60.683 2.928 19800 1038 1 4 . 1 1 65 65 PHE CB C 65 40.354 40.354 39.127 1.227 19800 1039 1 4 . 1 1 66 66 THR N N 66 112.195 112.195 114.872 -2.677 19800 1040 1 4 . 1 1 66 66 THR HA H 66 3.660 3.660 3.754 -0.094 19800 1041 1 4 . 1 1 66 66 THR C C 66 178.106 178.106 176.056 2.050 19800 1042 1 4 . 1 1 66 66 THR CA C 66 66.742 66.742 66.179 0.563 19800 1043 1 4 . 1 1 66 66 THR CB C 66 68.412 68.412 68.702 -0.290 19800 1044 1 4 . 1 1 67 67 ALA N N 67 124.955 124.955 122.306 2.649 19800 1045 1 4 . 1 1 67 67 ALA HA H 67 4.044 4.044 3.668 0.376 19800 1046 1 4 . 1 1 67 67 ALA C C 67 180.268 180.268 178.530 1.738 19800 1047 1 4 . 1 1 67 67 ALA CA C 67 54.618 54.618 54.352 0.266 19800 1048 1 4 . 1 1 67 67 ALA CB C 67 18.408 18.408 17.919 0.489 19800 1049 1 4 . 1 1 68 68 ALA N N 68 119.593 119.593 121.279 -1.686 19800 1050 1 4 . 1 1 68 68 ALA HA H 68 3.966 3.966 3.822 0.144 19800 1051 1 4 . 1 1 68 68 ALA C C 68 181.033 181.033 179.306 1.727 19800 1052 1 4 . 1 1 68 68 ALA CA C 68 55.623 55.623 54.944 0.679 19800 1053 1 4 . 1 1 68 68 ALA CB C 68 19.802 19.802 18.154 1.648 19800 1054 1 4 . 1 1 69 69 VAL N N 69 115.582 115.582 117.319 -1.737 19800 1055 1 4 . 1 1 69 69 VAL HA H 69 3.257 3.257 3.285 -0.029 19800 1056 1 4 . 1 1 69 69 VAL C C 69 179.000 179.000 177.932 1.068 19800 1057 1 4 . 1 1 69 69 VAL CA C 69 66.077 66.077 66.184 -0.107 19800 1058 1 4 . 1 1 69 69 VAL CB C 69 31.684 31.684 31.286 0.398 19800 1059 1 4 . 1 1 70 70 TYR N N 70 118.722 118.722 118.241 0.481 19800 1060 1 4 . 1 1 70 70 TYR HA H 70 3.805 3.805 4.167 -0.362 19800 1061 1 4 . 1 1 70 70 TYR C C 70 180.084 180.084 177.293 2.791 19800 1062 1 4 . 1 1 70 70 TYR CA C 70 61.459 61.459 60.968 0.491 19800 1063 1 4 . 1 1 70 70 TYR CB C 70 37.712 37.712 37.711 0.001 19800 1064 1 4 . 1 1 71 71 TRP N N 71 117.180 117.180 119.588 -2.408 19800 1065 1 4 . 1 1 71 71 TRP HA H 71 4.482 4.482 4.483 -0.001 19800 1066 1 4 . 1 1 71 71 TRP C C 71 180.643 180.643 179.286 1.357 19800 1067 1 4 . 1 1 71 71 TRP CA C 71 58.833 58.833 58.231 0.602 19800 1068 1 4 . 1 1 71 71 TRP CB C 71 30.133 30.133 29.707 0.426 19800 1069 1 4 . 1 1 72 72 ILE N N 72 113.422 113.422 119.173 -5.751 19800 1070 1 4 . 1 1 72 72 ILE HA H 72 4.452 4.452 3.844 0.608 19800 1071 1 4 . 1 1 72 72 ILE C C 72 178.490 178.490 178.216 0.274 19800 1072 1 4 . 1 1 72 72 ILE CA C 72 61.563 61.563 62.832 -1.269 19800 1073 1 4 . 1 1 72 72 ILE CB C 72 37.491 37.491 36.227 1.264 19800 1074 1 4 . 1 1 73 73 LYS N N 73 120.911 120.911 119.776 1.135 19800 1075 1 4 . 1 1 73 73 LYS HA H 73 4.177 4.177 4.223 -0.046 19800 1076 1 4 . 1 1 73 73 LYS C C 73 179.460 179.460 177.775 1.685 19800 1077 1 4 . 1 1 73 73 LYS CA C 73 58.310 58.310 58.114 0.196 19800 1078 1 4 . 1 1 73 73 LYS CB C 73 32.247 32.247 31.665 0.582 19800 1079 1 4 . 1 1 74 74 THR N N 74 110.017 110.017 113.702 -3.685 19800 1080 1 4 . 1 1 74 74 THR HA H 74 4.140 4.140 4.431 -0.291 19800 1081 1 4 . 1 1 74 74 THR C C 74 174.574 174.574 173.966 0.608 19800 1082 1 4 . 1 1 74 74 THR CA C 74 63.019 63.019 63.037 -0.018 19800 1083 1 4 . 1 1 74 74 THR CB C 74 69.394 69.394 69.455 -0.061 19800 1084 1 4 . 1 1 75 75 TYR N N 75 122.005 122.005 125.573 -3.568 19800 1085 1 4 . 1 1 75 75 TYR HA H 75 4.468 4.468 4.468 -0.000 19800 1086 1 4 . 1 1 75 75 TYR C C 75 174.634 174.634 174.345 0.289 19800 1087 1 4 . 1 1 75 75 TYR CA C 75 58.964 58.964 57.224 1.740 19800 1088 1 4 . 1 1 75 75 TYR CB C 75 38.945 38.945 37.552 1.393 19800 1089 1 5 . 1 1 20 20 ASP N N 20 121.855 121.855 119.139 2.716 19800 1090 1 5 . 1 1 20 20 ASP HA H 20 4.824 4.824 4.812 0.012 19800 1091 1 5 . 1 1 20 20 ASP C C 20 176.378 176.378 175.333 1.045 19800 1092 1 5 . 1 1 20 20 ASP CA C 20 54.063 54.063 53.256 0.807 19800 1093 1 5 . 1 1 20 20 ASP CB C 20 41.753 41.753 40.543 1.210 19800 1094 1 5 . 1 1 21 21 LYS N N 21 121.556 121.556 121.831 -0.275 19800 1095 1 5 . 1 1 21 21 LYS HA H 21 4.493 4.493 4.505 -0.012 19800 1096 1 5 . 1 1 21 21 LYS C C 21 175.887 175.887 176.461 -0.574 19800 1097 1 5 . 1 1 21 21 LYS CA C 21 54.395 54.395 55.105 -0.710 19800 1098 1 5 . 1 1 21 21 LYS CB C 21 35.006 35.006 33.325 1.681 19800 1099 1 5 . 1 1 22 22 ASP N N 22 123.097 123.097 127.195 -4.098 19800 1100 1 5 . 1 1 22 22 ASP HA H 22 4.558 4.558 4.591 -0.033 19800 1101 1 5 . 1 1 22 22 ASP C C 22 175.402 175.402 175.461 -0.059 19800 1102 1 5 . 1 1 22 22 ASP CA C 22 55.514 55.514 54.985 0.529 19800 1103 1 5 . 1 1 22 22 ASP CB C 22 40.854 40.854 40.436 0.418 19800 1104 1 5 . 1 1 23 23 LEU N N 23 126.265 126.265 125.346 0.919 19800 1105 1 5 . 1 1 23 23 LEU HA H 23 4.680 4.680 4.484 0.196 19800 1106 1 5 . 1 1 23 23 LEU C C 23 176.338 176.338 175.578 0.760 19800 1107 1 5 . 1 1 23 23 LEU CA C 23 56.204 56.204 55.201 1.003 19800 1108 1 5 . 1 1 23 23 LEU CB C 23 45.211 45.211 43.649 1.562 19800 1109 1 5 . 1 1 24 24 LEU N N 24 114.484 114.484 117.380 -2.896 19800 1110 1 5 . 1 1 24 24 LEU HA H 24 4.789 4.789 4.649 0.140 19800 1111 1 5 . 1 1 24 24 LEU C C 24 174.976 174.976 175.106 -0.130 19800 1112 1 5 . 1 1 24 24 LEU CA C 24 53.674 53.674 53.335 0.339 19800 1113 1 5 . 1 1 24 24 LEU CB C 24 49.345 49.345 45.193 4.152 19800 1114 1 5 . 1 1 25 25 LYS N N 25 118.529 118.529 120.185 -1.656 19800 1115 1 5 . 1 1 25 25 LYS HA H 25 4.994 4.994 4.433 0.561 19800 1116 1 5 . 1 1 25 25 LYS C C 25 176.242 176.242 176.254 -0.012 19800 1117 1 5 . 1 1 25 25 LYS CA C 25 55.210 55.210 55.650 -0.440 19800 1118 1 5 . 1 1 25 25 LYS CB C 25 35.992 35.992 33.858 2.134 19800 1119 1 5 . 1 1 26 26 GLY N N 26 107.756 107.756 112.757 -5.001 19800 1120 1 5 . 1 1 26 26 GLY C C 26 176.034 176.034 174.687 1.347 19800 1121 1 5 . 1 1 26 26 GLY CA C 26 46.394 46.394 45.962 0.432 19800 1122 1 5 . 1 1 27 27 LEU N N 27 120.147 120.147 120.887 -0.740 19800 1123 1 5 . 1 1 27 27 LEU HA H 27 4.601 4.601 4.568 0.033 19800 1124 1 5 . 1 1 27 27 LEU C C 27 179.874 179.874 176.031 3.843 19800 1125 1 5 . 1 1 27 27 LEU CA C 27 54.325 54.325 55.429 -1.104 19800 1126 1 5 . 1 1 27 27 LEU CB C 27 43.622 43.622 43.234 0.388 19800 1127 1 5 . 1 1 28 28 ASP N N 28 119.966 119.966 120.746 -0.780 19800 1128 1 5 . 1 1 28 28 ASP HA H 28 5.096 5.096 5.126 -0.030 19800 1129 1 5 . 1 1 28 28 ASP C C 28 177.406 177.406 176.756 0.650 19800 1130 1 5 . 1 1 28 28 ASP CA C 28 52.835 52.835 53.081 -0.247 19800 1131 1 5 . 1 1 28 28 ASP CB C 28 41.180 41.180 43.940 -2.760 19800 1132 1 5 . 1 1 29 29 GLN N N 29 118.219 118.219 121.524 -3.305 19800 1133 1 5 . 1 1 29 29 GLN HA H 29 2.969 2.969 3.794 -0.825 19800 1134 1 5 . 1 1 29 29 GLN C C 29 178.379 178.379 177.507 0.872 19800 1135 1 5 . 1 1 29 29 GLN CA C 29 59.978 59.978 59.556 0.422 19800 1136 1 5 . 1 1 29 29 GLN CB C 29 28.897 28.897 28.469 0.428 19800 1137 1 5 . 1 1 30 30 GLU N N 30 118.429 118.429 117.249 1.180 19800 1138 1 5 . 1 1 30 30 GLU HA H 30 3.986 3.986 4.031 -0.045 19800 1139 1 5 . 1 1 30 30 GLU C C 30 182.812 182.812 179.019 3.793 19800 1140 1 5 . 1 1 30 30 GLU CA C 30 59.730 59.730 59.014 0.716 19800 1141 1 5 . 1 1 30 30 GLU CB C 30 28.936 28.936 28.916 0.020 19800 1142 1 5 . 1 1 31 31 GLN N N 31 120.672 120.672 119.898 0.774 19800 1143 1 5 . 1 1 31 31 GLN HA H 31 4.068 4.068 4.272 -0.204 19800 1144 1 5 . 1 1 31 31 GLN C C 31 180.864 180.864 178.462 2.402 19800 1145 1 5 . 1 1 31 31 GLN CA C 31 58.612 58.612 58.229 0.383 19800 1146 1 5 . 1 1 31 31 GLN CB C 31 29.844 29.844 28.990 0.854 19800 1147 1 5 . 1 1 32 32 ALA N N 32 120.200 120.200 121.939 -1.739 19800 1148 1 5 . 1 1 32 32 ALA HA H 32 3.771 3.771 4.015 -0.244 19800 1149 1 5 . 1 1 32 32 ALA C C 32 180.339 180.339 178.788 1.551 19800 1150 1 5 . 1 1 32 32 ALA CA C 32 55.122 55.122 54.451 0.671 19800 1151 1 5 . 1 1 32 32 ALA CB C 32 17.289 17.289 18.054 -0.765 19800 1152 1 5 . 1 1 33 33 ASN N N 33 115.507 115.507 117.220 -1.713 19800 1153 1 5 . 1 1 33 33 ASN HA H 33 4.292 4.292 4.351 -0.059 19800 1154 1 5 . 1 1 33 33 ASN C C 33 180.713 180.713 177.464 3.249 19800 1155 1 5 . 1 1 33 33 ASN CA C 33 55.479 55.479 56.880 -1.401 19800 1156 1 5 . 1 1 33 33 ASN CB C 33 37.104 37.104 38.435 -1.331 19800 1157 1 5 . 1 1 34 34 GLU N N 34 122.826 122.826 119.684 3.142 19800 1158 1 5 . 1 1 34 34 GLU HA H 34 4.083 4.083 4.079 0.004 19800 1159 1 5 . 1 1 34 34 GLU C C 34 180.367 180.367 179.001 1.366 19800 1160 1 5 . 1 1 34 34 GLU CA C 34 59.486 59.486 59.142 0.345 19800 1161 1 5 . 1 1 34 34 GLU CB C 34 29.370 29.370 29.762 -0.392 19800 1162 1 5 . 1 1 35 35 VAL N N 35 119.909 119.909 119.862 0.047 19800 1163 1 5 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.512 -0.139 19800 1164 1 5 . 1 1 35 35 VAL C C 35 179.502 179.502 177.808 1.694 19800 1165 1 5 . 1 1 35 35 VAL CA C 35 66.809 66.809 66.532 0.277 19800 1166 1 5 . 1 1 35 35 VAL CB C 35 31.000 31.000 31.461 -0.461 19800 1167 1 5 . 1 1 36 36 ILE N N 36 118.626 118.626 119.670 -1.044 19800 1168 1 5 . 1 1 36 36 ILE HA H 36 3.514 3.514 3.617 -0.103 19800 1169 1 5 . 1 1 36 36 ILE C C 36 180.436 180.436 176.912 3.524 19800 1170 1 5 . 1 1 36 36 ILE CA C 36 64.355 64.355 64.206 0.149 19800 1171 1 5 . 1 1 36 36 ILE CB C 36 36.534 36.534 37.669 -1.135 19800 1172 1 5 . 1 1 37 37 ALA N N 37 122.361 122.361 122.602 -0.241 19800 1173 1 5 . 1 1 37 37 ALA HA H 37 4.145 4.145 3.967 0.178 19800 1174 1 5 . 1 1 37 37 ALA C C 37 183.902 183.902 179.200 4.702 19800 1175 1 5 . 1 1 37 37 ALA CA C 37 55.433 55.433 55.541 -0.108 19800 1176 1 5 . 1 1 37 37 ALA CB C 37 17.807 17.807 17.713 0.094 19800 1177 1 5 . 1 1 38 38 VAL N N 38 120.987 120.987 119.482 1.505 19800 1178 1 5 . 1 1 38 38 VAL HA H 38 3.630 3.630 3.358 0.272 19800 1179 1 5 . 1 1 38 38 VAL C C 38 180.529 180.529 177.691 2.838 19800 1180 1 5 . 1 1 38 38 VAL CA C 38 66.453 66.453 65.639 0.814 19800 1181 1 5 . 1 1 38 38 VAL CB C 38 31.763 31.763 31.528 0.235 19800 1182 1 5 . 1 1 39 39 LEU N N 39 119.408 119.408 118.871 0.537 19800 1183 1 5 . 1 1 39 39 LEU HA H 39 3.929 3.929 3.981 -0.052 19800 1184 1 5 . 1 1 39 39 LEU C C 39 183.063 183.063 179.258 3.805 19800 1185 1 5 . 1 1 39 39 LEU CA C 39 58.544 58.544 56.843 1.701 19800 1186 1 5 . 1 1 39 39 LEU CB C 39 39.409 39.409 40.558 -1.149 19800 1187 1 5 . 1 1 40 40 GLN N N 40 121.514 121.514 119.637 1.877 19800 1188 1 5 . 1 1 40 40 GLN HA H 40 3.928 3.928 4.034 -0.106 19800 1189 1 5 . 1 1 40 40 GLN C C 40 183.366 183.366 179.208 4.158 19800 1190 1 5 . 1 1 40 40 GLN CA C 40 59.324 59.324 58.777 0.547 19800 1191 1 5 . 1 1 40 40 GLN CB C 40 28.254 28.254 28.975 -0.721 19800 1192 1 5 . 1 1 41 41 MET N N 41 119.672 119.672 114.727 4.945 19800 1193 1 5 . 1 1 41 41 MET HA H 41 4.032 4.032 4.337 -0.305 19800 1194 1 5 . 1 1 41 41 MET C C 41 177.125 177.125 176.902 0.223 19800 1195 1 5 . 1 1 41 41 MET CA C 41 57.763 57.763 57.699 0.064 19800 1196 1 5 . 1 1 41 41 MET CB C 41 31.579 31.579 32.381 -0.802 19800 1197 1 5 . 1 1 42 42 HIS N N 42 115.329 115.329 116.159 -0.830 19800 1198 1 5 . 1 1 42 42 HIS HA H 42 4.371 4.371 4.480 -0.109 19800 1199 1 5 . 1 1 42 42 HIS C C 42 171.216 171.216 174.330 -3.114 19800 1200 1 5 . 1 1 42 42 HIS CA C 42 54.601 54.601 55.260 -0.659 19800 1201 1 5 . 1 1 42 42 HIS CB C 42 27.399 27.399 29.654 -2.255 19800 1202 1 5 . 1 1 43 43 ASN N N 43 112.995 112.995 114.828 -1.833 19800 1203 1 5 . 1 1 43 43 ASN HA H 43 4.293 4.293 4.342 -0.049 19800 1204 1 5 . 1 1 43 43 ASN C C 43 173.011 173.011 174.379 -1.368 19800 1205 1 5 . 1 1 43 43 ASN CA C 43 54.571 54.571 54.635 -0.063 19800 1206 1 5 . 1 1 43 43 ASN CB C 43 36.981 36.981 36.969 0.012 19800 1207 1 5 . 1 1 44 44 ILE N N 44 120.077 120.077 119.514 0.563 19800 1208 1 5 . 1 1 44 44 ILE HA H 44 4.225 4.225 4.384 -0.159 19800 1209 1 5 . 1 1 44 44 ILE C C 44 174.630 174.630 174.892 -0.262 19800 1210 1 5 . 1 1 44 44 ILE CA C 44 60.469 60.469 59.751 0.718 19800 1211 1 5 . 1 1 44 44 ILE CB C 44 39.933 39.933 40.237 -0.304 19800 1212 1 5 . 1 1 45 45 GLU N N 45 129.083 129.083 128.791 0.292 19800 1213 1 5 . 1 1 45 45 GLU HA H 45 4.144 4.144 4.190 -0.046 19800 1214 1 5 . 1 1 45 45 GLU C C 45 174.368 174.368 174.906 -0.538 19800 1215 1 5 . 1 1 45 45 GLU CA C 45 56.121 56.121 56.594 -0.473 19800 1216 1 5 . 1 1 45 45 GLU CB C 45 29.979 29.979 29.431 0.548 19800 1217 1 5 . 1 1 46 46 ALA N N 46 127.014 127.014 129.394 -2.380 19800 1218 1 5 . 1 1 46 46 ALA HA H 46 5.087 5.087 4.969 0.118 19800 1219 1 5 . 1 1 46 46 ALA C C 46 175.515 175.515 176.339 -0.824 19800 1220 1 5 . 1 1 46 46 ALA CA C 46 50.426 50.426 50.685 -0.259 19800 1221 1 5 . 1 1 46 46 ALA CB C 46 23.581 23.581 21.128 2.453 19800 1222 1 5 . 1 1 47 47 ASN N N 47 117.293 117.293 122.072 -4.779 19800 1223 1 5 . 1 1 47 47 ASN HA H 47 5.059 5.059 4.996 0.063 19800 1224 1 5 . 1 1 47 47 ASN C C 47 172.618 172.618 174.185 -1.567 19800 1225 1 5 . 1 1 47 47 ASN CA C 47 51.733 51.733 52.612 -0.879 19800 1226 1 5 . 1 1 47 47 ASN CB C 47 41.163 41.163 42.754 -1.591 19800 1227 1 5 . 1 1 48 48 LYS N N 48 121.209 121.209 123.847 -2.638 19800 1228 1 5 . 1 1 48 48 LYS HA H 48 5.302 5.302 4.825 0.477 19800 1229 1 5 . 1 1 48 48 LYS C C 48 175.186 175.186 176.312 -1.126 19800 1230 1 5 . 1 1 48 48 LYS CA C 48 54.377 54.377 55.514 -1.137 19800 1231 1 5 . 1 1 48 48 LYS CB C 48 34.817 34.817 33.559 1.258 19800 1232 1 5 . 1 1 49 49 ILE N N 49 127.508 127.508 125.143 2.365 19800 1233 1 5 . 1 1 49 49 ILE HA H 49 4.335 4.335 4.473 -0.138 19800 1234 1 5 . 1 1 49 49 ILE C C 49 175.247 175.247 174.043 1.204 19800 1235 1 5 . 1 1 49 49 ILE CA C 49 59.683 59.683 60.526 -0.843 19800 1236 1 5 . 1 1 49 49 ILE CB C 49 39.941 39.941 38.331 1.610 19800 1237 1 5 . 1 1 50 50 ASP N N 50 127.775 127.775 129.236 -1.461 19800 1238 1 5 . 1 1 50 50 ASP HA H 50 3.854 3.854 5.308 -1.454 19800 1239 1 5 . 1 1 50 50 ASP C C 50 177.327 177.327 175.459 1.868 19800 1240 1 5 . 1 1 50 50 ASP CA C 50 53.639 53.639 53.188 0.451 19800 1241 1 5 . 1 1 50 50 ASP CB C 50 40.857 40.857 41.768 -0.911 19800 1242 1 5 . 1 1 51 51 SER N N 51 123.948 123.948 120.971 2.977 19800 1243 1 5 . 1 1 51 51 SER HA H 51 4.660 4.660 4.761 -0.101 19800 1244 1 5 . 1 1 51 51 SER C C 51 177.258 177.258 175.439 1.819 19800 1245 1 5 . 1 1 51 51 SER CA C 51 57.111 57.111 57.550 -0.439 19800 1246 1 5 . 1 1 51 51 SER CB C 51 63.271 63.271 65.883 -2.612 19800 1247 1 5 . 1 1 52 52 GLY N N 52 112.626 112.626 111.491 1.135 19800 1248 1 5 . 1 1 52 52 GLY C C 52 178.261 178.261 174.740 3.521 19800 1249 1 5 . 1 1 52 52 GLY CA C 52 46.450 46.450 46.749 -0.299 19800 1250 1 5 . 1 1 53 53 LYS HA H 53 4.119 4.119 4.159 -0.040 19800 1251 1 5 . 1 1 53 53 LYS C C 53 178.526 178.526 176.671 1.855 19800 1252 1 5 . 1 1 53 53 LYS CA C 53 58.349 58.349 57.676 0.673 19800 1253 1 5 . 1 1 53 53 LYS CB C 53 32.038 32.038 31.595 0.443 19800 1254 1 5 . 1 1 54 54 LEU N N 54 117.133 117.133 118.998 -1.865 19800 1255 1 5 . 1 1 54 54 LEU HA H 54 4.309 4.309 4.513 -0.204 19800 1256 1 5 . 1 1 54 54 LEU C C 54 178.832 178.832 176.536 2.296 19800 1257 1 5 . 1 1 54 54 LEU CA C 54 54.958 54.958 54.649 0.309 19800 1258 1 5 . 1 1 54 54 LEU CB C 54 41.155 41.155 44.629 -3.474 19800 1259 1 5 . 1 1 55 55 GLY N N 55 106.946 106.946 107.423 -0.477 19800 1260 1 5 . 1 1 55 55 GLY C C 55 172.511 172.511 172.610 -0.099 19800 1261 1 5 . 1 1 55 55 GLY CA C 55 44.519 44.519 44.850 -0.331 19800 1262 1 5 . 1 1 56 56 TYR N N 56 119.500 119.500 122.854 -3.354 19800 1263 1 5 . 1 1 56 56 TYR HA H 56 5.267 5.267 5.044 0.223 19800 1264 1 5 . 1 1 56 56 TYR C C 56 177.412 177.412 174.504 2.908 19800 1265 1 5 . 1 1 56 56 TYR CA C 56 57.986 57.986 57.074 0.912 19800 1266 1 5 . 1 1 56 56 TYR CB C 56 40.838 40.838 40.702 0.136 19800 1267 1 5 . 1 1 57 57 SER N N 57 114.460 114.460 115.296 -0.836 19800 1268 1 5 . 1 1 57 57 SER HA H 57 5.386 5.386 4.868 0.518 19800 1269 1 5 . 1 1 57 57 SER C C 57 171.818 171.818 172.681 -0.863 19800 1270 1 5 . 1 1 57 57 SER CA C 57 55.817 55.817 56.728 -0.911 19800 1271 1 5 . 1 1 57 57 SER CB C 57 65.566 65.566 66.920 -1.354 19800 1272 1 5 . 1 1 58 58 ILE N N 58 121.240 121.240 120.630 0.610 19800 1273 1 5 . 1 1 58 58 ILE HA H 58 5.538 5.538 4.995 0.543 19800 1274 1 5 . 1 1 58 58 ILE C C 58 176.822 176.822 175.754 1.068 19800 1275 1 5 . 1 1 58 58 ILE CA C 58 57.040 57.040 59.652 -2.612 19800 1276 1 5 . 1 1 58 58 ILE CB C 58 39.157 39.157 39.475 -0.318 19800 1277 1 5 . 1 1 59 59 THR N N 59 118.505 118.505 117.318 1.187 19800 1278 1 5 . 1 1 59 59 THR HA H 59 5.435 5.435 4.721 0.714 19800 1279 1 5 . 1 1 59 59 THR C C 59 172.703 172.703 172.375 0.328 19800 1280 1 5 . 1 1 59 59 THR CA C 59 58.889 58.889 60.311 -1.422 19800 1281 1 5 . 1 1 59 59 THR CB C 59 71.574 71.574 71.478 0.096 19800 1282 1 5 . 1 1 60 60 VAL N N 60 111.299 111.299 118.020 -6.721 19800 1283 1 5 . 1 1 60 60 VAL HA H 60 4.787 4.787 5.272 -0.485 19800 1284 1 5 . 1 1 60 60 VAL C C 60 173.802 173.802 174.444 -0.642 19800 1285 1 5 . 1 1 60 60 VAL CA C 60 58.594 58.594 58.411 0.183 19800 1286 1 5 . 1 1 60 60 VAL CB C 60 36.560 36.560 35.211 1.349 19800 1287 1 5 . 1 1 61 61 ALA N N 61 125.688 125.688 121.808 3.880 19800 1288 1 5 . 1 1 61 61 ALA HA H 61 4.678 4.678 4.271 0.407 19800 1289 1 5 . 1 1 61 61 ALA C C 61 182.244 182.244 177.381 4.863 19800 1290 1 5 . 1 1 61 61 ALA CA C 61 52.304 52.304 52.325 -0.021 19800 1291 1 5 . 1 1 61 61 ALA CB C 61 19.742 19.742 19.405 0.337 19800 1292 1 5 . 1 1 62 62 GLU N N 62 122.612 122.612 119.102 3.510 19800 1293 1 5 . 1 1 62 62 GLU HA H 62 3.970 3.970 4.144 -0.174 19800 1294 1 5 . 1 1 62 62 GLU C C 62 175.922 175.922 177.304 -1.382 19800 1295 1 5 . 1 1 62 62 GLU CA C 62 62.328 62.328 60.599 1.730 19800 1296 1 5 . 1 1 62 62 GLU CB C 62 27.421 27.421 27.974 -0.553 19800 1297 1 5 . 1 1 63 63 PRO HA H 63 4.486 4.486 4.481 0.005 19800 1298 1 5 . 1 1 63 63 PRO C C 63 178.721 178.721 177.694 1.027 19800 1299 1 5 . 1 1 63 63 PRO CA C 63 65.517 65.517 64.655 0.862 19800 1300 1 5 . 1 1 63 63 PRO CB C 63 31.124 31.124 31.494 -0.369 19800 1301 1 5 . 1 1 64 64 ASP N N 64 115.002 115.002 117.828 -2.826 19800 1302 1 5 . 1 1 64 64 ASP HA H 64 4.994 4.994 4.677 0.317 19800 1303 1 5 . 1 1 64 64 ASP C C 64 176.565 176.565 176.868 -0.303 19800 1304 1 5 . 1 1 64 64 ASP CA C 64 54.701 54.701 54.943 -0.242 19800 1305 1 5 . 1 1 64 64 ASP CB C 64 43.082 43.082 39.911 3.171 19800 1306 1 5 . 1 1 65 65 PHE N N 65 122.010 122.010 121.053 0.957 19800 1307 1 5 . 1 1 65 65 PHE HA H 65 3.926 3.926 4.133 -0.207 19800 1308 1 5 . 1 1 65 65 PHE C C 65 175.918 175.918 176.620 -0.702 19800 1309 1 5 . 1 1 65 65 PHE CA C 65 63.611 63.611 61.512 2.099 19800 1310 1 5 . 1 1 65 65 PHE CB C 65 40.354 40.354 39.386 0.968 19800 1311 1 5 . 1 1 66 66 THR N N 66 112.195 112.195 113.533 -1.338 19800 1312 1 5 . 1 1 66 66 THR HA H 66 3.660 3.660 3.816 -0.156 19800 1313 1 5 . 1 1 66 66 THR C C 66 178.106 178.106 175.786 2.320 19800 1314 1 5 . 1 1 66 66 THR CA C 66 66.742 66.742 64.703 2.039 19800 1315 1 5 . 1 1 66 66 THR CB C 66 68.412 68.412 68.716 -0.304 19800 1316 1 5 . 1 1 67 67 ALA N N 67 124.955 124.955 122.531 2.424 19800 1317 1 5 . 1 1 67 67 ALA HA H 67 4.044 4.044 3.823 0.221 19800 1318 1 5 . 1 1 67 67 ALA C C 67 180.268 180.268 178.530 1.738 19800 1319 1 5 . 1 1 67 67 ALA CA C 67 54.618 54.618 54.097 0.521 19800 1320 1 5 . 1 1 67 67 ALA CB C 67 18.408 18.408 18.167 0.241 19800 1321 1 5 . 1 1 68 68 ALA N N 68 119.593 119.593 121.304 -1.711 19800 1322 1 5 . 1 1 68 68 ALA HA H 68 3.966 3.966 3.934 0.032 19800 1323 1 5 . 1 1 68 68 ALA C C 68 181.033 181.033 179.173 1.860 19800 1324 1 5 . 1 1 68 68 ALA CA C 68 55.623 55.623 55.033 0.590 19800 1325 1 5 . 1 1 68 68 ALA CB C 68 19.802 19.802 18.164 1.638 19800 1326 1 5 . 1 1 69 69 VAL N N 69 115.582 115.582 117.632 -2.050 19800 1327 1 5 . 1 1 69 69 VAL HA H 69 3.257 3.257 3.393 -0.136 19800 1328 1 5 . 1 1 69 69 VAL C C 69 179.000 179.000 177.880 1.120 19800 1329 1 5 . 1 1 69 69 VAL CA C 69 66.077 66.077 66.670 -0.593 19800 1330 1 5 . 1 1 69 69 VAL CB C 69 31.684 31.684 31.569 0.115 19800 1331 1 5 . 1 1 70 70 TYR N N 70 118.722 118.722 118.941 -0.219 19800 1332 1 5 . 1 1 70 70 TYR HA H 70 3.805 3.805 4.133 -0.328 19800 1333 1 5 . 1 1 70 70 TYR C C 70 180.084 180.084 177.644 2.440 19800 1334 1 5 . 1 1 70 70 TYR CA C 70 61.459 61.459 61.519 -0.060 19800 1335 1 5 . 1 1 70 70 TYR CB C 70 37.712 37.712 37.697 0.015 19800 1336 1 5 . 1 1 71 71 TRP N N 71 117.180 117.180 118.764 -1.584 19800 1337 1 5 . 1 1 71 71 TRP HA H 71 4.482 4.482 4.581 -0.099 19800 1338 1 5 . 1 1 71 71 TRP C C 71 180.643 180.643 177.956 2.687 19800 1339 1 5 . 1 1 71 71 TRP CA C 71 58.833 58.833 58.786 0.047 19800 1340 1 5 . 1 1 71 71 TRP CB C 71 30.133 30.133 29.875 0.258 19800 1341 1 5 . 1 1 72 72 ILE N N 72 113.422 113.422 117.490 -4.068 19800 1342 1 5 . 1 1 72 72 ILE HA H 72 4.452 4.452 3.909 0.543 19800 1343 1 5 . 1 1 72 72 ILE C C 72 178.490 178.490 177.834 0.656 19800 1344 1 5 . 1 1 72 72 ILE CA C 72 61.563 61.563 62.172 -0.609 19800 1345 1 5 . 1 1 72 72 ILE CB C 72 37.491 37.491 37.168 0.323 19800 1346 1 5 . 1 1 73 73 LYS N N 73 120.911 120.911 120.635 0.276 19800 1347 1 5 . 1 1 73 73 LYS HA H 73 4.177 4.177 4.049 0.128 19800 1348 1 5 . 1 1 73 73 LYS C C 73 179.460 179.460 177.703 1.757 19800 1349 1 5 . 1 1 73 73 LYS CA C 73 58.310 58.310 59.203 -0.893 19800 1350 1 5 . 1 1 73 73 LYS CB C 73 32.247 32.247 32.245 0.002 19800 1351 1 5 . 1 1 74 74 THR N N 74 110.017 110.017 112.187 -2.170 19800 1352 1 5 . 1 1 74 74 THR HA H 74 4.140 4.140 4.389 -0.249 19800 1353 1 5 . 1 1 74 74 THR C C 74 174.574 174.574 174.837 -0.263 19800 1354 1 5 . 1 1 74 74 THR CA C 74 63.019 63.019 63.720 -0.701 19800 1355 1 5 . 1 1 74 74 THR CB C 74 69.394 69.394 68.880 0.514 19800 1356 1 5 . 1 1 75 75 TYR N N 75 122.005 122.005 121.881 0.124 19800 1357 1 5 . 1 1 75 75 TYR HA H 75 4.468 4.468 4.451 0.017 19800 1358 1 5 . 1 1 75 75 TYR C C 75 174.634 174.634 175.859 -1.225 19800 1359 1 5 . 1 1 75 75 TYR CA C 75 58.964 58.964 59.978 -1.014 19800 1360 1 5 . 1 1 75 75 TYR CB C 75 38.945 38.945 39.458 -0.513 19800 1361 1 6 . 1 1 20 20 ASP N N 20 121.855 121.855 117.579 4.276 19800 1362 1 6 . 1 1 20 20 ASP HA H 20 4.824 4.824 4.275 0.549 19800 1363 1 6 . 1 1 20 20 ASP C C 20 176.378 176.378 175.448 0.930 19800 1364 1 6 . 1 1 20 20 ASP CA C 20 54.063 54.063 55.358 -1.294 19800 1365 1 6 . 1 1 20 20 ASP CB C 20 41.753 41.753 39.880 1.873 19800 1366 1 6 . 1 1 21 21 LYS N N 21 121.556 121.556 119.837 1.719 19800 1367 1 6 . 1 1 21 21 LYS HA H 21 4.493 4.493 4.192 0.301 19800 1368 1 6 . 1 1 21 21 LYS C C 21 175.887 175.887 176.083 -0.196 19800 1369 1 6 . 1 1 21 21 LYS CA C 21 54.395 54.395 55.469 -1.074 19800 1370 1 6 . 1 1 21 21 LYS CB C 21 35.006 35.006 32.474 2.532 19800 1371 1 6 . 1 1 22 22 ASP N N 22 123.097 123.097 124.937 -1.840 19800 1372 1 6 . 1 1 22 22 ASP HA H 22 4.558 4.558 4.553 0.005 19800 1373 1 6 . 1 1 22 22 ASP C C 22 175.402 175.402 175.818 -0.416 19800 1374 1 6 . 1 1 22 22 ASP CA C 22 55.514 55.514 54.915 0.599 19800 1375 1 6 . 1 1 22 22 ASP CB C 22 40.854 40.854 40.480 0.374 19800 1376 1 6 . 1 1 23 23 LEU N N 23 126.265 126.265 126.201 0.064 19800 1377 1 6 . 1 1 23 23 LEU HA H 23 4.680 4.680 4.484 0.196 19800 1378 1 6 . 1 1 23 23 LEU C C 23 176.338 176.338 175.515 0.823 19800 1379 1 6 . 1 1 23 23 LEU CA C 23 56.204 56.204 55.907 0.297 19800 1380 1 6 . 1 1 23 23 LEU CB C 23 45.211 45.211 43.544 1.667 19800 1381 1 6 . 1 1 24 24 LEU N N 24 114.484 114.484 117.660 -3.176 19800 1382 1 6 . 1 1 24 24 LEU HA H 24 4.789 4.789 4.619 0.170 19800 1383 1 6 . 1 1 24 24 LEU C C 24 174.976 174.976 175.604 -0.628 19800 1384 1 6 . 1 1 24 24 LEU CA C 24 53.674 53.674 53.350 0.324 19800 1385 1 6 . 1 1 24 24 LEU CB C 24 49.345 49.345 44.642 4.703 19800 1386 1 6 . 1 1 25 25 LYS N N 25 118.529 118.529 120.857 -2.328 19800 1387 1 6 . 1 1 25 25 LYS HA H 25 4.994 4.994 4.554 0.440 19800 1388 1 6 . 1 1 25 25 LYS C C 25 176.242 176.242 176.791 -0.549 19800 1389 1 6 . 1 1 25 25 LYS CA C 25 55.210 55.210 55.037 0.173 19800 1390 1 6 . 1 1 25 25 LYS CB C 25 35.992 35.992 33.018 2.974 19800 1391 1 6 . 1 1 26 26 GLY N N 26 107.756 107.756 113.041 -5.285 19800 1392 1 6 . 1 1 26 26 GLY C C 26 176.034 176.034 173.937 2.097 19800 1393 1 6 . 1 1 26 26 GLY CA C 26 46.394 46.394 46.139 0.255 19800 1394 1 6 . 1 1 27 27 LEU N N 27 120.147 120.147 120.602 -0.455 19800 1395 1 6 . 1 1 27 27 LEU HA H 27 4.601 4.601 4.660 -0.059 19800 1396 1 6 . 1 1 27 27 LEU C C 27 179.874 179.874 175.283 4.591 19800 1397 1 6 . 1 1 27 27 LEU CA C 27 54.325 54.325 53.889 0.436 19800 1398 1 6 . 1 1 27 27 LEU CB C 27 43.622 43.622 44.551 -0.929 19800 1399 1 6 . 1 1 28 28 ASP N N 28 119.966 119.966 124.802 -4.836 19800 1400 1 6 . 1 1 28 28 ASP HA H 28 5.096 5.096 4.581 0.515 19800 1401 1 6 . 1 1 28 28 ASP C C 28 177.406 177.406 176.706 0.700 19800 1402 1 6 . 1 1 28 28 ASP CA C 28 52.835 52.835 53.504 -0.669 19800 1403 1 6 . 1 1 28 28 ASP CB C 28 41.180 41.180 42.972 -1.792 19800 1404 1 6 . 1 1 29 29 GLN N N 29 118.219 118.219 122.531 -4.312 19800 1405 1 6 . 1 1 29 29 GLN HA H 29 2.969 2.969 3.766 -0.797 19800 1406 1 6 . 1 1 29 29 GLN C C 29 178.379 178.379 177.671 0.708 19800 1407 1 6 . 1 1 29 29 GLN CA C 29 59.978 59.978 58.758 1.220 19800 1408 1 6 . 1 1 29 29 GLN CB C 29 28.897 28.897 28.415 0.482 19800 1409 1 6 . 1 1 30 30 GLU N N 30 118.429 118.429 118.630 -0.201 19800 1410 1 6 . 1 1 30 30 GLU HA H 30 3.986 3.986 3.964 0.022 19800 1411 1 6 . 1 1 30 30 GLU C C 30 182.812 182.812 178.702 4.110 19800 1412 1 6 . 1 1 30 30 GLU CA C 30 59.730 59.730 58.972 0.757 19800 1413 1 6 . 1 1 30 30 GLU CB C 30 28.936 28.936 29.286 -0.350 19800 1414 1 6 . 1 1 31 31 GLN N N 31 120.672 120.672 116.498 4.174 19800 1415 1 6 . 1 1 31 31 GLN HA H 31 4.068 4.068 4.335 -0.267 19800 1416 1 6 . 1 1 31 31 GLN C C 31 180.864 180.864 178.119 2.745 19800 1417 1 6 . 1 1 31 31 GLN CA C 31 58.612 58.612 56.845 1.767 19800 1418 1 6 . 1 1 31 31 GLN CB C 31 29.844 29.844 29.041 0.803 19800 1419 1 6 . 1 1 32 32 ALA N N 32 120.200 120.200 123.603 -3.403 19800 1420 1 6 . 1 1 32 32 ALA HA H 32 3.771 3.771 3.971 -0.200 19800 1421 1 6 . 1 1 32 32 ALA C C 32 180.339 180.339 179.021 1.318 19800 1422 1 6 . 1 1 32 32 ALA CA C 32 55.122 55.122 54.480 0.642 19800 1423 1 6 . 1 1 32 32 ALA CB C 32 17.289 17.289 18.152 -0.863 19800 1424 1 6 . 1 1 33 33 ASN N N 33 115.507 115.507 116.837 -1.330 19800 1425 1 6 . 1 1 33 33 ASN HA H 33 4.292 4.292 4.381 -0.089 19800 1426 1 6 . 1 1 33 33 ASN C C 33 180.713 180.713 177.610 3.103 19800 1427 1 6 . 1 1 33 33 ASN CA C 33 55.479 55.479 56.574 -1.095 19800 1428 1 6 . 1 1 33 33 ASN CB C 33 37.104 37.104 38.559 -1.455 19800 1429 1 6 . 1 1 34 34 GLU N N 34 122.826 122.826 117.508 5.318 19800 1430 1 6 . 1 1 34 34 GLU HA H 34 4.083 4.083 4.198 -0.115 19800 1431 1 6 . 1 1 34 34 GLU C C 34 180.367 180.367 178.033 2.334 19800 1432 1 6 . 1 1 34 34 GLU CA C 34 59.486 59.486 58.318 1.169 19800 1433 1 6 . 1 1 34 34 GLU CB C 34 29.370 29.370 29.566 -0.196 19800 1434 1 6 . 1 1 35 35 VAL N N 35 119.909 119.909 119.072 0.837 19800 1435 1 6 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.827 -0.454 19800 1436 1 6 . 1 1 35 35 VAL C C 35 179.502 179.502 177.725 1.777 19800 1437 1 6 . 1 1 35 35 VAL CA C 35 66.809 66.809 65.174 1.635 19800 1438 1 6 . 1 1 35 35 VAL CB C 35 31.000 31.000 32.252 -1.252 19800 1439 1 6 . 1 1 36 36 ILE N N 36 118.626 118.626 120.983 -2.357 19800 1440 1 6 . 1 1 36 36 ILE HA H 36 3.514 3.514 3.659 -0.145 19800 1441 1 6 . 1 1 36 36 ILE C C 36 180.436 180.436 176.605 3.831 19800 1442 1 6 . 1 1 36 36 ILE CA C 36 64.355 64.355 64.237 0.118 19800 1443 1 6 . 1 1 36 36 ILE CB C 36 36.534 36.534 37.791 -1.257 19800 1444 1 6 . 1 1 37 37 ALA N N 37 122.361 122.361 122.877 -0.516 19800 1445 1 6 . 1 1 37 37 ALA HA H 37 4.145 4.145 4.034 0.111 19800 1446 1 6 . 1 1 37 37 ALA C C 37 183.902 183.902 179.222 4.680 19800 1447 1 6 . 1 1 37 37 ALA CA C 37 55.433 55.433 55.153 0.280 19800 1448 1 6 . 1 1 37 37 ALA CB C 37 17.807 17.807 18.144 -0.337 19800 1449 1 6 . 1 1 38 38 VAL N N 38 120.987 120.987 117.041 3.946 19800 1450 1 6 . 1 1 38 38 VAL HA H 38 3.630 3.630 3.998 -0.368 19800 1451 1 6 . 1 1 38 38 VAL C C 38 180.529 180.529 176.392 4.137 19800 1452 1 6 . 1 1 38 38 VAL CA C 38 66.453 66.453 64.547 1.906 19800 1453 1 6 . 1 1 38 38 VAL CB C 38 31.763 31.763 31.643 0.120 19800 1454 1 6 . 1 1 39 39 LEU N N 39 119.408 119.408 119.854 -0.446 19800 1455 1 6 . 1 1 39 39 LEU HA H 39 3.929 3.929 4.155 -0.226 19800 1456 1 6 . 1 1 39 39 LEU C C 39 183.063 183.063 178.897 4.166 19800 1457 1 6 . 1 1 39 39 LEU CA C 39 58.544 58.544 56.931 1.613 19800 1458 1 6 . 1 1 39 39 LEU CB C 39 39.409 39.409 41.075 -1.666 19800 1459 1 6 . 1 1 40 40 GLN N N 40 121.514 121.514 119.689 1.825 19800 1460 1 6 . 1 1 40 40 GLN HA H 40 3.928 3.928 4.066 -0.138 19800 1461 1 6 . 1 1 40 40 GLN C C 40 183.366 183.366 179.294 4.072 19800 1462 1 6 . 1 1 40 40 GLN CA C 40 59.324 59.324 58.819 0.505 19800 1463 1 6 . 1 1 40 40 GLN CB C 40 28.254 28.254 28.831 -0.577 19800 1464 1 6 . 1 1 41 41 MET N N 41 119.672 119.672 118.105 1.567 19800 1465 1 6 . 1 1 41 41 MET HA H 41 4.032 4.032 4.170 -0.138 19800 1466 1 6 . 1 1 41 41 MET C C 41 177.125 177.125 176.948 0.177 19800 1467 1 6 . 1 1 41 41 MET CA C 41 57.763 57.763 57.895 -0.132 19800 1468 1 6 . 1 1 41 41 MET CB C 41 31.579 31.579 32.747 -1.168 19800 1469 1 6 . 1 1 42 42 HIS N N 42 115.329 115.329 114.094 1.235 19800 1470 1 6 . 1 1 42 42 HIS HA H 42 4.371 4.371 4.549 -0.178 19800 1471 1 6 . 1 1 42 42 HIS C C 42 171.216 171.216 174.345 -3.129 19800 1472 1 6 . 1 1 42 42 HIS CA C 42 54.601 54.601 55.914 -1.313 19800 1473 1 6 . 1 1 42 42 HIS CB C 42 27.399 27.399 29.581 -2.182 19800 1474 1 6 . 1 1 43 43 ASN N N 43 112.995 112.995 114.892 -1.897 19800 1475 1 6 . 1 1 43 43 ASN HA H 43 4.293 4.293 4.282 0.011 19800 1476 1 6 . 1 1 43 43 ASN C C 43 173.011 173.011 174.429 -1.418 19800 1477 1 6 . 1 1 43 43 ASN CA C 43 54.571 54.571 54.248 0.323 19800 1478 1 6 . 1 1 43 43 ASN CB C 43 36.981 36.981 37.249 -0.268 19800 1479 1 6 . 1 1 44 44 ILE N N 44 120.077 120.077 119.993 0.084 19800 1480 1 6 . 1 1 44 44 ILE HA H 44 4.225 4.225 4.306 -0.081 19800 1481 1 6 . 1 1 44 44 ILE C C 44 174.630 174.630 175.394 -0.764 19800 1482 1 6 . 1 1 44 44 ILE CA C 44 60.469 60.469 60.496 -0.027 19800 1483 1 6 . 1 1 44 44 ILE CB C 44 39.933 39.933 39.927 0.006 19800 1484 1 6 . 1 1 45 45 GLU N N 45 129.083 129.083 127.923 1.160 19800 1485 1 6 . 1 1 45 45 GLU HA H 45 4.144 4.144 4.193 -0.049 19800 1486 1 6 . 1 1 45 45 GLU C C 45 174.368 174.368 175.052 -0.684 19800 1487 1 6 . 1 1 45 45 GLU CA C 45 56.121 56.121 57.027 -0.906 19800 1488 1 6 . 1 1 45 45 GLU CB C 45 29.979 29.979 29.384 0.595 19800 1489 1 6 . 1 1 46 46 ALA N N 46 127.014 127.014 128.440 -1.426 19800 1490 1 6 . 1 1 46 46 ALA HA H 46 5.087 5.087 4.602 0.485 19800 1491 1 6 . 1 1 46 46 ALA C C 46 175.515 175.515 176.191 -0.676 19800 1492 1 6 . 1 1 46 46 ALA CA C 46 50.426 50.426 50.725 -0.299 19800 1493 1 6 . 1 1 46 46 ALA CB C 46 23.581 23.581 20.672 2.909 19800 1494 1 6 . 1 1 47 47 ASN N N 47 117.293 117.293 122.410 -5.117 19800 1495 1 6 . 1 1 47 47 ASN HA H 47 5.059 5.059 5.003 0.056 19800 1496 1 6 . 1 1 47 47 ASN C C 47 172.618 172.618 173.418 -0.800 19800 1497 1 6 . 1 1 47 47 ASN CA C 47 51.733 51.733 51.939 -0.206 19800 1498 1 6 . 1 1 47 47 ASN CB C 47 41.163 41.163 42.856 -1.693 19800 1499 1 6 . 1 1 48 48 LYS N N 48 121.209 121.209 124.588 -3.379 19800 1500 1 6 . 1 1 48 48 LYS HA H 48 5.302 5.302 4.916 0.386 19800 1501 1 6 . 1 1 48 48 LYS C C 48 175.186 175.186 176.115 -0.929 19800 1502 1 6 . 1 1 48 48 LYS CA C 48 54.377 54.377 55.079 -0.702 19800 1503 1 6 . 1 1 48 48 LYS CB C 48 34.817 34.817 33.424 1.393 19800 1504 1 6 . 1 1 49 49 ILE N N 49 127.508 127.508 124.484 3.024 19800 1505 1 6 . 1 1 49 49 ILE HA H 49 4.335 4.335 4.439 -0.104 19800 1506 1 6 . 1 1 49 49 ILE C C 49 175.247 175.247 174.077 1.170 19800 1507 1 6 . 1 1 49 49 ILE CA C 49 59.683 59.683 60.576 -0.893 19800 1508 1 6 . 1 1 49 49 ILE CB C 49 39.941 39.941 39.373 0.568 19800 1509 1 6 . 1 1 50 50 ASP N N 50 127.775 127.775 127.512 0.263 19800 1510 1 6 . 1 1 50 50 ASP HA H 50 3.854 3.854 5.345 -1.491 19800 1511 1 6 . 1 1 50 50 ASP C C 50 177.327 177.327 175.430 1.897 19800 1512 1 6 . 1 1 50 50 ASP CA C 50 53.639 53.639 53.135 0.504 19800 1513 1 6 . 1 1 50 50 ASP CB C 50 40.857 40.857 43.222 -2.365 19800 1514 1 6 . 1 1 51 51 SER N N 51 123.948 123.948 119.981 3.967 19800 1515 1 6 . 1 1 51 51 SER HA H 51 4.660 4.660 4.695 -0.035 19800 1516 1 6 . 1 1 51 51 SER C C 51 177.258 177.258 175.430 1.828 19800 1517 1 6 . 1 1 51 51 SER CA C 51 57.111 57.111 57.424 -0.313 19800 1518 1 6 . 1 1 51 51 SER CB C 51 63.271 63.271 65.373 -2.102 19800 1519 1 6 . 1 1 52 52 GLY N N 52 112.626 112.626 111.288 1.338 19800 1520 1 6 . 1 1 52 52 GLY C C 52 178.261 178.261 174.992 3.269 19800 1521 1 6 . 1 1 52 52 GLY CA C 52 46.450 46.450 46.681 -0.231 19800 1522 1 6 . 1 1 53 53 LYS HA H 53 4.119 4.119 4.332 -0.213 19800 1523 1 6 . 1 1 53 53 LYS C C 53 178.526 178.526 176.524 2.002 19800 1524 1 6 . 1 1 53 53 LYS CA C 53 58.349 58.349 56.784 1.565 19800 1525 1 6 . 1 1 53 53 LYS CB C 53 32.038 32.038 32.402 -0.364 19800 1526 1 6 . 1 1 54 54 LEU N N 54 117.133 117.133 119.218 -2.085 19800 1527 1 6 . 1 1 54 54 LEU HA H 54 4.309 4.309 4.441 -0.132 19800 1528 1 6 . 1 1 54 54 LEU C C 54 178.832 178.832 177.171 1.661 19800 1529 1 6 . 1 1 54 54 LEU CA C 54 54.958 54.958 55.125 -0.167 19800 1530 1 6 . 1 1 54 54 LEU CB C 54 41.155 41.155 44.670 -3.515 19800 1531 1 6 . 1 1 55 55 GLY N N 55 106.946 106.946 107.128 -0.182 19800 1532 1 6 . 1 1 55 55 GLY C C 55 172.511 172.511 172.718 -0.207 19800 1533 1 6 . 1 1 55 55 GLY CA C 55 44.519 44.519 45.472 -0.953 19800 1534 1 6 . 1 1 56 56 TYR N N 56 119.500 119.500 123.762 -4.262 19800 1535 1 6 . 1 1 56 56 TYR HA H 56 5.267 5.267 5.043 0.224 19800 1536 1 6 . 1 1 56 56 TYR C C 56 177.412 177.412 174.485 2.927 19800 1537 1 6 . 1 1 56 56 TYR CA C 56 57.986 57.986 57.605 0.381 19800 1538 1 6 . 1 1 56 56 TYR CB C 56 40.838 40.838 40.757 0.081 19800 1539 1 6 . 1 1 57 57 SER N N 57 114.460 114.460 115.958 -1.498 19800 1540 1 6 . 1 1 57 57 SER HA H 57 5.386 5.386 4.942 0.444 19800 1541 1 6 . 1 1 57 57 SER C C 57 171.818 171.818 172.401 -0.583 19800 1542 1 6 . 1 1 57 57 SER CA C 57 55.817 55.817 57.067 -1.250 19800 1543 1 6 . 1 1 57 57 SER CB C 57 65.566 65.566 67.155 -1.589 19800 1544 1 6 . 1 1 58 58 ILE N N 58 121.240 121.240 122.016 -0.776 19800 1545 1 6 . 1 1 58 58 ILE HA H 58 5.538 5.538 4.981 0.557 19800 1546 1 6 . 1 1 58 58 ILE C C 58 176.822 176.822 176.228 0.594 19800 1547 1 6 . 1 1 58 58 ILE CA C 58 57.040 57.040 59.442 -2.402 19800 1548 1 6 . 1 1 58 58 ILE CB C 58 39.157 39.157 38.618 0.539 19800 1549 1 6 . 1 1 59 59 THR N N 59 118.505 118.505 121.222 -2.717 19800 1550 1 6 . 1 1 59 59 THR HA H 59 5.435 5.435 4.850 0.585 19800 1551 1 6 . 1 1 59 59 THR C C 59 172.703 172.703 173.624 -0.921 19800 1552 1 6 . 1 1 59 59 THR CA C 59 58.889 58.889 59.733 -0.843 19800 1553 1 6 . 1 1 59 59 THR CB C 59 71.574 71.574 70.481 1.093 19800 1554 1 6 . 1 1 60 60 VAL N N 60 111.299 111.299 120.908 -9.609 19800 1555 1 6 . 1 1 60 60 VAL HA H 60 4.787 4.787 5.228 -0.441 19800 1556 1 6 . 1 1 60 60 VAL C C 60 173.802 173.802 174.641 -0.839 19800 1557 1 6 . 1 1 60 60 VAL CA C 60 58.594 58.594 58.723 -0.129 19800 1558 1 6 . 1 1 60 60 VAL CB C 60 36.560 36.560 35.518 1.042 19800 1559 1 6 . 1 1 61 61 ALA N N 61 125.688 125.688 121.666 4.022 19800 1560 1 6 . 1 1 61 61 ALA HA H 61 4.678 4.678 4.263 0.415 19800 1561 1 6 . 1 1 61 61 ALA C C 61 182.244 182.244 178.768 3.476 19800 1562 1 6 . 1 1 61 61 ALA CA C 61 52.304 52.304 52.619 -0.315 19800 1563 1 6 . 1 1 61 61 ALA CB C 61 19.742 19.742 19.119 0.623 19800 1564 1 6 . 1 1 62 62 GLU N N 62 122.612 122.612 121.889 0.723 19800 1565 1 6 . 1 1 62 62 GLU HA H 62 3.970 3.970 4.059 -0.089 19800 1566 1 6 . 1 1 62 62 GLU C C 62 175.922 175.922 176.754 -0.832 19800 1567 1 6 . 1 1 62 62 GLU CA C 62 62.328 62.328 60.986 1.342 19800 1568 1 6 . 1 1 62 62 GLU CB C 62 27.421 27.421 28.417 -0.996 19800 1569 1 6 . 1 1 63 63 PRO HA H 63 4.486 4.486 4.396 0.090 19800 1570 1 6 . 1 1 63 63 PRO C C 63 178.721 178.721 177.411 1.310 19800 1571 1 6 . 1 1 63 63 PRO CA C 63 65.517 65.517 64.451 1.066 19800 1572 1 6 . 1 1 63 63 PRO CB C 63 31.124 31.124 31.384 -0.260 19800 1573 1 6 . 1 1 64 64 ASP N N 64 115.002 115.002 118.019 -3.017 19800 1574 1 6 . 1 1 64 64 ASP HA H 64 4.994 4.994 4.738 0.256 19800 1575 1 6 . 1 1 64 64 ASP C C 64 176.565 176.565 176.707 -0.142 19800 1576 1 6 . 1 1 64 64 ASP CA C 64 54.701 54.701 54.968 -0.267 19800 1577 1 6 . 1 1 64 64 ASP CB C 64 43.082 43.082 41.119 1.963 19800 1578 1 6 . 1 1 65 65 PHE N N 65 122.010 122.010 122.171 -0.161 19800 1579 1 6 . 1 1 65 65 PHE HA H 65 3.926 3.926 4.097 -0.171 19800 1580 1 6 . 1 1 65 65 PHE C C 65 175.918 175.918 176.666 -0.748 19800 1581 1 6 . 1 1 65 65 PHE CA C 65 63.611 63.611 61.274 2.337 19800 1582 1 6 . 1 1 65 65 PHE CB C 65 40.354 40.354 39.254 1.100 19800 1583 1 6 . 1 1 66 66 THR N N 66 112.195 112.195 114.109 -1.914 19800 1584 1 6 . 1 1 66 66 THR HA H 66 3.660 3.660 3.775 -0.115 19800 1585 1 6 . 1 1 66 66 THR C C 66 178.106 178.106 176.080 2.026 19800 1586 1 6 . 1 1 66 66 THR CA C 66 66.742 66.742 65.995 0.747 19800 1587 1 6 . 1 1 66 66 THR CB C 66 68.412 68.412 68.543 -0.131 19800 1588 1 6 . 1 1 67 67 ALA N N 67 124.955 124.955 122.327 2.628 19800 1589 1 6 . 1 1 67 67 ALA HA H 67 4.044 4.044 3.809 0.235 19800 1590 1 6 . 1 1 67 67 ALA C C 67 180.268 180.268 178.487 1.781 19800 1591 1 6 . 1 1 67 67 ALA CA C 67 54.618 54.618 54.013 0.605 19800 1592 1 6 . 1 1 67 67 ALA CB C 67 18.408 18.408 18.080 0.328 19800 1593 1 6 . 1 1 68 68 ALA N N 68 119.593 119.593 122.520 -2.927 19800 1594 1 6 . 1 1 68 68 ALA HA H 68 3.966 3.966 4.029 -0.063 19800 1595 1 6 . 1 1 68 68 ALA C C 68 181.033 181.033 179.458 1.575 19800 1596 1 6 . 1 1 68 68 ALA CA C 68 55.623 55.623 55.203 0.420 19800 1597 1 6 . 1 1 68 68 ALA CB C 68 19.802 19.802 18.072 1.730 19800 1598 1 6 . 1 1 69 69 VAL N N 69 115.582 115.582 117.158 -1.576 19800 1599 1 6 . 1 1 69 69 VAL HA H 69 3.257 3.257 3.485 -0.228 19800 1600 1 6 . 1 1 69 69 VAL C C 69 179.000 179.000 177.752 1.248 19800 1601 1 6 . 1 1 69 69 VAL CA C 69 66.077 66.077 66.233 -0.156 19800 1602 1 6 . 1 1 69 69 VAL CB C 69 31.684 31.684 30.700 0.984 19800 1603 1 6 . 1 1 70 70 TYR N N 70 118.722 118.722 121.080 -2.358 19800 1604 1 6 . 1 1 70 70 TYR HA H 70 3.805 3.805 3.951 -0.146 19800 1605 1 6 . 1 1 70 70 TYR C C 70 180.084 180.084 177.349 2.735 19800 1606 1 6 . 1 1 70 70 TYR CA C 70 61.459 61.459 62.022 -0.563 19800 1607 1 6 . 1 1 70 70 TYR CB C 70 37.712 37.712 38.171 -0.459 19800 1608 1 6 . 1 1 71 71 TRP N N 71 117.180 117.180 118.146 -0.966 19800 1609 1 6 . 1 1 71 71 TRP HA H 71 4.482 4.482 4.329 0.153 19800 1610 1 6 . 1 1 71 71 TRP C C 71 180.643 180.643 179.416 1.227 19800 1611 1 6 . 1 1 71 71 TRP CA C 71 58.833 58.833 58.253 0.580 19800 1612 1 6 . 1 1 71 71 TRP CB C 71 30.133 30.133 29.611 0.522 19800 1613 1 6 . 1 1 72 72 ILE N N 72 113.422 113.422 119.464 -6.042 19800 1614 1 6 . 1 1 72 72 ILE HA H 72 4.452 4.452 3.810 0.642 19800 1615 1 6 . 1 1 72 72 ILE C C 72 178.490 178.490 178.360 0.130 19800 1616 1 6 . 1 1 72 72 ILE CA C 72 61.563 61.563 63.180 -1.617 19800 1617 1 6 . 1 1 72 72 ILE CB C 72 37.491 37.491 36.306 1.185 19800 1618 1 6 . 1 1 73 73 LYS N N 73 120.911 120.911 117.948 2.963 19800 1619 1 6 . 1 1 73 73 LYS HA H 73 4.177 4.177 4.179 -0.002 19800 1620 1 6 . 1 1 73 73 LYS C C 73 179.460 179.460 177.587 1.873 19800 1621 1 6 . 1 1 73 73 LYS CA C 73 58.310 58.310 57.424 0.886 19800 1622 1 6 . 1 1 73 73 LYS CB C 73 32.247 32.247 31.477 0.770 19800 1623 1 6 . 1 1 74 74 THR N N 74 110.017 110.017 112.278 -2.261 19800 1624 1 6 . 1 1 74 74 THR HA H 74 4.140 4.140 4.240 -0.100 19800 1625 1 6 . 1 1 74 74 THR C C 74 174.574 174.574 174.431 0.143 19800 1626 1 6 . 1 1 74 74 THR CA C 74 63.019 63.019 62.900 0.119 19800 1627 1 6 . 1 1 74 74 THR CB C 74 69.394 69.394 69.223 0.171 19800 1628 1 6 . 1 1 75 75 TYR N N 75 122.005 122.005 124.501 -2.496 19800 1629 1 6 . 1 1 75 75 TYR HA H 75 4.468 4.468 4.316 0.152 19800 1630 1 6 . 1 1 75 75 TYR C C 75 174.634 174.634 175.356 -0.722 19800 1631 1 6 . 1 1 75 75 TYR CA C 75 58.964 58.964 59.279 -0.315 19800 1632 1 6 . 1 1 75 75 TYR CB C 75 38.945 38.945 39.153 -0.208 19800 1633 1 7 . 1 1 20 20 ASP N N 20 121.855 121.855 117.518 4.337 19800 1634 1 7 . 1 1 20 20 ASP HA H 20 4.824 4.824 4.677 0.147 19800 1635 1 7 . 1 1 20 20 ASP C C 20 176.378 176.378 175.553 0.825 19800 1636 1 7 . 1 1 20 20 ASP CA C 20 54.063 54.063 53.499 0.564 19800 1637 1 7 . 1 1 20 20 ASP CB C 20 41.753 41.753 41.224 0.529 19800 1638 1 7 . 1 1 21 21 LYS N N 21 121.556 121.556 120.822 0.734 19800 1639 1 7 . 1 1 21 21 LYS HA H 21 4.493 4.493 4.077 0.416 19800 1640 1 7 . 1 1 21 21 LYS C C 21 175.887 175.887 175.658 0.229 19800 1641 1 7 . 1 1 21 21 LYS CA C 21 54.395 54.395 54.950 -0.555 19800 1642 1 7 . 1 1 21 21 LYS CB C 21 35.006 35.006 31.564 3.442 19800 1643 1 7 . 1 1 22 22 ASP N N 22 123.097 123.097 125.231 -2.134 19800 1644 1 7 . 1 1 22 22 ASP HA H 22 4.558 4.558 4.561 -0.003 19800 1645 1 7 . 1 1 22 22 ASP C C 22 175.402 175.402 175.770 -0.368 19800 1646 1 7 . 1 1 22 22 ASP CA C 22 55.514 55.514 54.976 0.538 19800 1647 1 7 . 1 1 22 22 ASP CB C 22 40.854 40.854 41.477 -0.623 19800 1648 1 7 . 1 1 23 23 LEU N N 23 126.265 126.265 126.147 0.118 19800 1649 1 7 . 1 1 23 23 LEU HA H 23 4.680 4.680 4.664 0.016 19800 1650 1 7 . 1 1 23 23 LEU C C 23 176.338 176.338 175.373 0.965 19800 1651 1 7 . 1 1 23 23 LEU CA C 23 56.204 56.204 55.822 0.382 19800 1652 1 7 . 1 1 23 23 LEU CB C 23 45.211 45.211 43.548 1.663 19800 1653 1 7 . 1 1 24 24 LEU N N 24 114.484 114.484 118.190 -3.706 19800 1654 1 7 . 1 1 24 24 LEU HA H 24 4.789 4.789 4.684 0.105 19800 1655 1 7 . 1 1 24 24 LEU C C 24 174.976 174.976 175.411 -0.435 19800 1656 1 7 . 1 1 24 24 LEU CA C 24 53.674 53.674 53.618 0.056 19800 1657 1 7 . 1 1 24 24 LEU CB C 24 49.345 49.345 44.435 4.910 19800 1658 1 7 . 1 1 25 25 LYS N N 25 118.529 118.529 121.037 -2.508 19800 1659 1 7 . 1 1 25 25 LYS HA H 25 4.994 4.994 4.525 0.469 19800 1660 1 7 . 1 1 25 25 LYS C C 25 176.242 176.242 176.575 -0.333 19800 1661 1 7 . 1 1 25 25 LYS CA C 25 55.210 55.210 55.402 -0.192 19800 1662 1 7 . 1 1 25 25 LYS CB C 25 35.992 35.992 33.586 2.406 19800 1663 1 7 . 1 1 26 26 GLY N N 26 107.756 107.756 113.322 -5.566 19800 1664 1 7 . 1 1 26 26 GLY C C 26 176.034 176.034 174.182 1.852 19800 1665 1 7 . 1 1 26 26 GLY CA C 26 46.394 46.394 46.004 0.390 19800 1666 1 7 . 1 1 27 27 LEU N N 27 120.147 120.147 119.998 0.149 19800 1667 1 7 . 1 1 27 27 LEU HA H 27 4.601 4.601 4.819 -0.218 19800 1668 1 7 . 1 1 27 27 LEU C C 27 179.874 179.874 175.606 4.268 19800 1669 1 7 . 1 1 27 27 LEU CA C 27 54.325 54.325 54.296 0.029 19800 1670 1 7 . 1 1 27 27 LEU CB C 27 43.622 43.622 44.892 -1.270 19800 1671 1 7 . 1 1 28 28 ASP N N 28 119.966 119.966 121.405 -1.439 19800 1672 1 7 . 1 1 28 28 ASP HA H 28 5.096 5.096 5.135 -0.039 19800 1673 1 7 . 1 1 28 28 ASP C C 28 177.406 177.406 176.546 0.860 19800 1674 1 7 . 1 1 28 28 ASP CA C 28 52.835 52.835 52.910 -0.076 19800 1675 1 7 . 1 1 28 28 ASP CB C 28 41.180 41.180 43.778 -2.598 19800 1676 1 7 . 1 1 29 29 GLN N N 29 118.219 118.219 120.448 -2.229 19800 1677 1 7 . 1 1 29 29 GLN HA H 29 2.969 2.969 3.613 -0.644 19800 1678 1 7 . 1 1 29 29 GLN C C 29 178.379 178.379 177.397 0.982 19800 1679 1 7 . 1 1 29 29 GLN CA C 29 59.978 59.978 59.244 0.734 19800 1680 1 7 . 1 1 29 29 GLN CB C 29 28.897 28.897 28.312 0.585 19800 1681 1 7 . 1 1 30 30 GLU N N 30 118.429 118.429 116.901 1.528 19800 1682 1 7 . 1 1 30 30 GLU HA H 30 3.986 3.986 3.979 0.007 19800 1683 1 7 . 1 1 30 30 GLU C C 30 182.812 182.812 178.997 3.815 19800 1684 1 7 . 1 1 30 30 GLU CA C 30 59.730 59.730 58.788 0.942 19800 1685 1 7 . 1 1 30 30 GLU CB C 30 28.936 28.936 28.954 -0.018 19800 1686 1 7 . 1 1 31 31 GLN N N 31 120.672 120.672 119.792 0.880 19800 1687 1 7 . 1 1 31 31 GLN HA H 31 4.068 4.068 4.178 -0.110 19800 1688 1 7 . 1 1 31 31 GLN C C 31 180.864 180.864 178.385 2.479 19800 1689 1 7 . 1 1 31 31 GLN CA C 31 58.612 58.612 58.035 0.577 19800 1690 1 7 . 1 1 31 31 GLN CB C 31 29.844 29.844 28.979 0.865 19800 1691 1 7 . 1 1 32 32 ALA N N 32 120.200 120.200 122.081 -1.881 19800 1692 1 7 . 1 1 32 32 ALA HA H 32 3.771 3.771 3.941 -0.170 19800 1693 1 7 . 1 1 32 32 ALA C C 32 180.339 180.339 178.585 1.754 19800 1694 1 7 . 1 1 32 32 ALA CA C 32 55.122 55.122 54.722 0.400 19800 1695 1 7 . 1 1 32 32 ALA CB C 32 17.289 17.289 18.126 -0.837 19800 1696 1 7 . 1 1 33 33 ASN N N 33 115.507 115.507 116.944 -1.437 19800 1697 1 7 . 1 1 33 33 ASN HA H 33 4.292 4.292 4.339 -0.047 19800 1698 1 7 . 1 1 33 33 ASN C C 33 180.713 180.713 177.582 3.131 19800 1699 1 7 . 1 1 33 33 ASN CA C 33 55.479 55.479 56.647 -1.168 19800 1700 1 7 . 1 1 33 33 ASN CB C 33 37.104 37.104 38.458 -1.354 19800 1701 1 7 . 1 1 34 34 GLU N N 34 122.826 122.826 119.423 3.403 19800 1702 1 7 . 1 1 34 34 GLU HA H 34 4.083 4.083 4.064 0.019 19800 1703 1 7 . 1 1 34 34 GLU C C 34 180.367 180.367 178.726 1.641 19800 1704 1 7 . 1 1 34 34 GLU CA C 34 59.486 59.486 58.517 0.969 19800 1705 1 7 . 1 1 34 34 GLU CB C 34 29.370 29.370 29.659 -0.289 19800 1706 1 7 . 1 1 35 35 VAL N N 35 119.909 119.909 120.414 -0.505 19800 1707 1 7 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.494 -0.121 19800 1708 1 7 . 1 1 35 35 VAL C C 35 179.502 179.502 177.869 1.633 19800 1709 1 7 . 1 1 35 35 VAL CA C 35 66.809 66.809 66.281 0.528 19800 1710 1 7 . 1 1 35 35 VAL CB C 35 31.000 31.000 31.824 -0.824 19800 1711 1 7 . 1 1 36 36 ILE N N 36 118.626 118.626 119.087 -0.461 19800 1712 1 7 . 1 1 36 36 ILE HA H 36 3.514 3.514 3.752 -0.238 19800 1713 1 7 . 1 1 36 36 ILE C C 36 180.436 180.436 176.756 3.680 19800 1714 1 7 . 1 1 36 36 ILE CA C 36 64.355 64.355 63.722 0.633 19800 1715 1 7 . 1 1 36 36 ILE CB C 36 36.534 36.534 37.895 -1.361 19800 1716 1 7 . 1 1 37 37 ALA N N 37 122.361 122.361 122.665 -0.304 19800 1717 1 7 . 1 1 37 37 ALA HA H 37 4.145 4.145 4.018 0.127 19800 1718 1 7 . 1 1 37 37 ALA C C 37 183.902 183.902 179.168 4.734 19800 1719 1 7 . 1 1 37 37 ALA CA C 37 55.433 55.433 55.307 0.126 19800 1720 1 7 . 1 1 37 37 ALA CB C 37 17.807 17.807 17.819 -0.012 19800 1721 1 7 . 1 1 38 38 VAL N N 38 120.987 120.987 118.640 2.347 19800 1722 1 7 . 1 1 38 38 VAL HA H 38 3.630 3.630 3.741 -0.111 19800 1723 1 7 . 1 1 38 38 VAL C C 38 180.529 180.529 177.325 3.204 19800 1724 1 7 . 1 1 38 38 VAL CA C 38 66.453 66.453 64.772 1.681 19800 1725 1 7 . 1 1 38 38 VAL CB C 38 31.763 31.763 32.033 -0.270 19800 1726 1 7 . 1 1 39 39 LEU N N 39 119.408 119.408 120.304 -0.896 19800 1727 1 7 . 1 1 39 39 LEU HA H 39 3.929 3.929 4.121 -0.192 19800 1728 1 7 . 1 1 39 39 LEU C C 39 183.063 183.063 179.024 4.039 19800 1729 1 7 . 1 1 39 39 LEU CA C 39 58.544 58.544 57.569 0.974 19800 1730 1 7 . 1 1 39 39 LEU CB C 39 39.409 39.409 40.718 -1.309 19800 1731 1 7 . 1 1 40 40 GLN N N 40 121.514 121.514 119.382 2.132 19800 1732 1 7 . 1 1 40 40 GLN HA H 40 3.928 3.928 4.084 -0.156 19800 1733 1 7 . 1 1 40 40 GLN C C 40 183.366 183.366 179.278 4.088 19800 1734 1 7 . 1 1 40 40 GLN CA C 40 59.324 59.324 58.551 0.773 19800 1735 1 7 . 1 1 40 40 GLN CB C 40 28.254 28.254 28.669 -0.415 19800 1736 1 7 . 1 1 41 41 MET N N 41 119.672 119.672 119.006 0.666 19800 1737 1 7 . 1 1 41 41 MET HA H 41 4.032 4.032 4.104 -0.072 19800 1738 1 7 . 1 1 41 41 MET C C 41 177.125 177.125 176.848 0.277 19800 1739 1 7 . 1 1 41 41 MET CA C 41 57.763 57.763 58.027 -0.264 19800 1740 1 7 . 1 1 41 41 MET CB C 41 31.579 31.579 32.673 -1.095 19800 1741 1 7 . 1 1 42 42 HIS N N 42 115.329 115.329 114.615 0.714 19800 1742 1 7 . 1 1 42 42 HIS HA H 42 4.371 4.371 4.614 -0.243 19800 1743 1 7 . 1 1 42 42 HIS C C 42 171.216 171.216 174.525 -3.309 19800 1744 1 7 . 1 1 42 42 HIS CA C 42 54.601 54.601 56.119 -1.518 19800 1745 1 7 . 1 1 42 42 HIS CB C 42 27.399 27.399 29.508 -2.109 19800 1746 1 7 . 1 1 43 43 ASN N N 43 112.995 112.995 114.716 -1.721 19800 1747 1 7 . 1 1 43 43 ASN HA H 43 4.293 4.293 4.386 -0.093 19800 1748 1 7 . 1 1 43 43 ASN C C 43 173.011 173.011 174.127 -1.116 19800 1749 1 7 . 1 1 43 43 ASN CA C 43 54.571 54.571 54.610 -0.039 19800 1750 1 7 . 1 1 43 43 ASN CB C 43 36.981 36.981 37.424 -0.443 19800 1751 1 7 . 1 1 44 44 ILE N N 44 120.077 120.077 120.643 -0.566 19800 1752 1 7 . 1 1 44 44 ILE HA H 44 4.225 4.225 4.330 -0.105 19800 1753 1 7 . 1 1 44 44 ILE C C 44 174.630 174.630 174.594 0.036 19800 1754 1 7 . 1 1 44 44 ILE CA C 44 60.469 60.469 60.344 0.125 19800 1755 1 7 . 1 1 44 44 ILE CB C 44 39.933 39.933 39.235 0.698 19800 1756 1 7 . 1 1 45 45 GLU N N 45 129.083 129.083 128.441 0.642 19800 1757 1 7 . 1 1 45 45 GLU HA H 45 4.144 4.144 4.295 -0.151 19800 1758 1 7 . 1 1 45 45 GLU C C 45 174.368 174.368 174.997 -0.629 19800 1759 1 7 . 1 1 45 45 GLU CA C 45 56.121 56.121 56.196 -0.075 19800 1760 1 7 . 1 1 45 45 GLU CB C 45 29.979 29.979 29.659 0.320 19800 1761 1 7 . 1 1 46 46 ALA N N 46 127.014 127.014 127.214 -0.200 19800 1762 1 7 . 1 1 46 46 ALA HA H 46 5.087 5.087 4.759 0.328 19800 1763 1 7 . 1 1 46 46 ALA C C 46 175.515 175.515 176.507 -0.992 19800 1764 1 7 . 1 1 46 46 ALA CA C 46 50.426 50.426 50.729 -0.303 19800 1765 1 7 . 1 1 46 46 ALA CB C 46 23.581 23.581 20.888 2.693 19800 1766 1 7 . 1 1 47 47 ASN N N 47 117.293 117.293 121.093 -3.800 19800 1767 1 7 . 1 1 47 47 ASN HA H 47 5.059 5.059 5.018 0.041 19800 1768 1 7 . 1 1 47 47 ASN C C 47 172.618 172.618 173.526 -0.908 19800 1769 1 7 . 1 1 47 47 ASN CA C 47 51.733 51.733 52.349 -0.616 19800 1770 1 7 . 1 1 47 47 ASN CB C 47 41.163 41.163 41.084 0.079 19800 1771 1 7 . 1 1 48 48 LYS N N 48 121.209 121.209 121.106 0.103 19800 1772 1 7 . 1 1 48 48 LYS HA H 48 5.302 5.302 4.746 0.556 19800 1773 1 7 . 1 1 48 48 LYS C C 48 175.186 175.186 176.107 -0.921 19800 1774 1 7 . 1 1 48 48 LYS CA C 48 54.377 54.377 55.159 -0.782 19800 1775 1 7 . 1 1 48 48 LYS CB C 48 34.817 34.817 33.395 1.422 19800 1776 1 7 . 1 1 49 49 ILE N N 49 127.508 127.508 125.559 1.949 19800 1777 1 7 . 1 1 49 49 ILE HA H 49 4.335 4.335 4.501 -0.166 19800 1778 1 7 . 1 1 49 49 ILE C C 49 175.247 175.247 174.086 1.161 19800 1779 1 7 . 1 1 49 49 ILE CA C 49 59.683 59.683 60.096 -0.413 19800 1780 1 7 . 1 1 49 49 ILE CB C 49 39.941 39.941 37.820 2.121 19800 1781 1 7 . 1 1 50 50 ASP N N 50 127.775 127.775 125.833 1.942 19800 1782 1 7 . 1 1 50 50 ASP HA H 50 3.854 3.854 5.596 -1.742 19800 1783 1 7 . 1 1 50 50 ASP C C 50 177.327 177.327 175.677 1.650 19800 1784 1 7 . 1 1 50 50 ASP CA C 50 53.639 53.639 52.422 1.217 19800 1785 1 7 . 1 1 50 50 ASP CB C 50 40.857 40.857 43.038 -2.182 19800 1786 1 7 . 1 1 51 51 SER N N 51 123.948 123.948 116.464 7.484 19800 1787 1 7 . 1 1 51 51 SER HA H 51 4.660 4.660 4.629 0.031 19800 1788 1 7 . 1 1 51 51 SER C C 51 177.258 177.258 175.518 1.740 19800 1789 1 7 . 1 1 51 51 SER CA C 51 57.111 57.111 57.207 -0.096 19800 1790 1 7 . 1 1 51 51 SER CB C 51 63.271 63.271 65.304 -2.033 19800 1791 1 7 . 1 1 52 52 GLY N N 52 112.626 112.626 110.541 2.085 19800 1792 1 7 . 1 1 52 52 GLY C C 52 178.261 178.261 175.406 2.855 19800 1793 1 7 . 1 1 52 52 GLY CA C 52 46.450 46.450 47.277 -0.827 19800 1794 1 7 . 1 1 53 53 LYS HA H 53 4.119 4.119 4.354 -0.235 19800 1795 1 7 . 1 1 53 53 LYS C C 53 178.526 178.526 178.530 -0.004 19800 1796 1 7 . 1 1 53 53 LYS CA C 53 58.349 58.349 56.658 1.691 19800 1797 1 7 . 1 1 53 53 LYS CB C 53 32.038 32.038 32.116 -0.078 19800 1798 1 7 . 1 1 54 54 LEU N N 54 117.133 117.133 118.009 -0.876 19800 1799 1 7 . 1 1 54 54 LEU HA H 54 4.309 4.309 4.137 0.172 19800 1800 1 7 . 1 1 54 54 LEU C C 54 178.832 178.832 177.188 1.644 19800 1801 1 7 . 1 1 54 54 LEU CA C 54 54.958 54.958 56.084 -1.127 19800 1802 1 7 . 1 1 54 54 LEU CB C 54 41.155 41.155 42.229 -1.074 19800 1803 1 7 . 1 1 55 55 GLY N N 55 106.946 106.946 106.196 0.750 19800 1804 1 7 . 1 1 55 55 GLY C C 55 172.511 172.511 173.121 -0.610 19800 1805 1 7 . 1 1 55 55 GLY CA C 55 44.519 44.519 45.138 -0.619 19800 1806 1 7 . 1 1 56 56 TYR N N 56 119.500 119.500 122.735 -3.235 19800 1807 1 7 . 1 1 56 56 TYR HA H 56 5.267 5.267 4.688 0.579 19800 1808 1 7 . 1 1 56 56 TYR C C 56 177.412 177.412 174.708 2.704 19800 1809 1 7 . 1 1 56 56 TYR CA C 56 57.986 57.986 58.363 -0.377 19800 1810 1 7 . 1 1 56 56 TYR CB C 56 40.838 40.838 39.686 1.152 19800 1811 1 7 . 1 1 57 57 SER N N 57 114.460 114.460 116.202 -1.742 19800 1812 1 7 . 1 1 57 57 SER HA H 57 5.386 5.386 4.902 0.484 19800 1813 1 7 . 1 1 57 57 SER C C 57 171.818 171.818 172.918 -1.100 19800 1814 1 7 . 1 1 57 57 SER CA C 57 55.817 55.817 56.768 -0.951 19800 1815 1 7 . 1 1 57 57 SER CB C 57 65.566 65.566 66.936 -1.370 19800 1816 1 7 . 1 1 58 58 ILE N N 58 121.240 121.240 122.285 -1.045 19800 1817 1 7 . 1 1 58 58 ILE HA H 58 5.538 5.538 4.766 0.772 19800 1818 1 7 . 1 1 58 58 ILE C C 58 176.822 176.822 176.205 0.617 19800 1819 1 7 . 1 1 58 58 ILE CA C 58 57.040 57.040 59.471 -2.431 19800 1820 1 7 . 1 1 58 58 ILE CB C 58 39.157 39.157 38.365 0.792 19800 1821 1 7 . 1 1 59 59 THR N N 59 118.505 118.505 121.981 -3.476 19800 1822 1 7 . 1 1 59 59 THR HA H 59 5.435 5.435 4.840 0.595 19800 1823 1 7 . 1 1 59 59 THR C C 59 172.703 172.703 173.835 -1.132 19800 1824 1 7 . 1 1 59 59 THR CA C 59 58.889 58.889 59.860 -0.971 19800 1825 1 7 . 1 1 59 59 THR CB C 59 71.574 71.574 70.283 1.291 19800 1826 1 7 . 1 1 60 60 VAL N N 60 111.299 111.299 121.226 -9.927 19800 1827 1 7 . 1 1 60 60 VAL HA H 60 4.787 4.787 5.064 -0.277 19800 1828 1 7 . 1 1 60 60 VAL C C 60 173.802 173.802 175.206 -1.404 19800 1829 1 7 . 1 1 60 60 VAL CA C 60 58.594 58.594 58.620 -0.026 19800 1830 1 7 . 1 1 60 60 VAL CB C 60 36.560 36.560 34.880 1.679 19800 1831 1 7 . 1 1 61 61 ALA N N 61 125.688 125.688 122.392 3.296 19800 1832 1 7 . 1 1 61 61 ALA HA H 61 4.678 4.678 4.128 0.550 19800 1833 1 7 . 1 1 61 61 ALA C C 61 182.244 182.244 178.489 3.755 19800 1834 1 7 . 1 1 61 61 ALA CA C 61 52.304 52.304 53.179 -0.875 19800 1835 1 7 . 1 1 61 61 ALA CB C 61 19.742 19.742 18.705 1.037 19800 1836 1 7 . 1 1 62 62 GLU N N 62 122.612 122.612 125.576 -2.964 19800 1837 1 7 . 1 1 62 62 GLU HA H 62 3.970 3.970 4.078 -0.108 19800 1838 1 7 . 1 1 62 62 GLU C C 62 175.922 175.922 176.685 -0.763 19800 1839 1 7 . 1 1 62 62 GLU CA C 62 62.328 62.328 61.092 1.236 19800 1840 1 7 . 1 1 62 62 GLU CB C 62 27.421 27.421 28.761 -1.340 19800 1841 1 7 . 1 1 63 63 PRO HA H 63 4.486 4.486 4.319 0.167 19800 1842 1 7 . 1 1 63 63 PRO C C 63 178.721 178.721 177.438 1.283 19800 1843 1 7 . 1 1 63 63 PRO CA C 63 65.517 65.517 64.675 0.842 19800 1844 1 7 . 1 1 63 63 PRO CB C 63 31.124 31.124 31.476 -0.352 19800 1845 1 7 . 1 1 64 64 ASP N N 64 115.002 115.002 116.799 -1.797 19800 1846 1 7 . 1 1 64 64 ASP HA H 64 4.994 4.994 4.813 0.181 19800 1847 1 7 . 1 1 64 64 ASP C C 64 176.565 176.565 176.697 -0.132 19800 1848 1 7 . 1 1 64 64 ASP CA C 64 54.701 54.701 53.957 0.744 19800 1849 1 7 . 1 1 64 64 ASP CB C 64 43.082 43.082 41.321 1.761 19800 1850 1 7 . 1 1 65 65 PHE N N 65 122.010 122.010 122.423 -0.413 19800 1851 1 7 . 1 1 65 65 PHE HA H 65 3.926 3.926 4.134 -0.208 19800 1852 1 7 . 1 1 65 65 PHE C C 65 175.918 175.918 176.239 -0.321 19800 1853 1 7 . 1 1 65 65 PHE CA C 65 63.611 63.611 60.307 3.304 19800 1854 1 7 . 1 1 65 65 PHE CB C 65 40.354 40.354 39.140 1.214 19800 1855 1 7 . 1 1 66 66 THR N N 66 112.195 112.195 114.091 -1.896 19800 1856 1 7 . 1 1 66 66 THR HA H 66 3.660 3.660 3.631 0.029 19800 1857 1 7 . 1 1 66 66 THR C C 66 178.106 178.106 176.004 2.102 19800 1858 1 7 . 1 1 66 66 THR CA C 66 66.742 66.742 66.148 0.593 19800 1859 1 7 . 1 1 66 66 THR CB C 66 68.412 68.412 68.479 -0.067 19800 1860 1 7 . 1 1 67 67 ALA N N 67 124.955 124.955 122.500 2.455 19800 1861 1 7 . 1 1 67 67 ALA HA H 67 4.044 4.044 3.639 0.405 19800 1862 1 7 . 1 1 67 67 ALA C C 67 180.268 180.268 178.604 1.664 19800 1863 1 7 . 1 1 67 67 ALA CA C 67 54.618 54.618 54.419 0.199 19800 1864 1 7 . 1 1 67 67 ALA CB C 67 18.408 18.408 17.973 0.435 19800 1865 1 7 . 1 1 68 68 ALA N N 68 119.593 119.593 121.817 -2.224 19800 1866 1 7 . 1 1 68 68 ALA HA H 68 3.966 3.966 3.889 0.077 19800 1867 1 7 . 1 1 68 68 ALA C C 68 181.033 181.033 179.309 1.724 19800 1868 1 7 . 1 1 68 68 ALA CA C 68 55.623 55.623 55.136 0.487 19800 1869 1 7 . 1 1 68 68 ALA CB C 68 19.802 19.802 18.198 1.605 19800 1870 1 7 . 1 1 69 69 VAL N N 69 115.582 115.582 117.850 -2.268 19800 1871 1 7 . 1 1 69 69 VAL HA H 69 3.257 3.257 3.365 -0.108 19800 1872 1 7 . 1 1 69 69 VAL C C 69 179.000 179.000 177.754 1.246 19800 1873 1 7 . 1 1 69 69 VAL CA C 69 66.077 66.077 66.520 -0.443 19800 1874 1 7 . 1 1 69 69 VAL CB C 69 31.684 31.684 31.472 0.212 19800 1875 1 7 . 1 1 70 70 TYR N N 70 118.722 118.722 120.598 -1.876 19800 1876 1 7 . 1 1 70 70 TYR HA H 70 3.805 3.805 3.973 -0.168 19800 1877 1 7 . 1 1 70 70 TYR C C 70 180.084 180.084 177.208 2.876 19800 1878 1 7 . 1 1 70 70 TYR CA C 70 61.459 61.459 61.637 -0.178 19800 1879 1 7 . 1 1 70 70 TYR CB C 70 37.712 37.712 38.073 -0.361 19800 1880 1 7 . 1 1 71 71 TRP N N 71 117.180 117.180 118.618 -1.438 19800 1881 1 7 . 1 1 71 71 TRP HA H 71 4.482 4.482 4.224 0.258 19800 1882 1 7 . 1 1 71 71 TRP C C 71 180.643 180.643 179.285 1.358 19800 1883 1 7 . 1 1 71 71 TRP CA C 71 58.833 58.833 58.853 -0.020 19800 1884 1 7 . 1 1 71 71 TRP CB C 71 30.133 30.133 29.622 0.511 19800 1885 1 7 . 1 1 72 72 ILE N N 72 113.422 113.422 119.202 -5.780 19800 1886 1 7 . 1 1 72 72 ILE HA H 72 4.452 4.452 3.897 0.555 19800 1887 1 7 . 1 1 72 72 ILE C C 72 178.490 178.490 178.539 -0.049 19800 1888 1 7 . 1 1 72 72 ILE CA C 72 61.563 61.563 62.597 -1.034 19800 1889 1 7 . 1 1 72 72 ILE CB C 72 37.491 37.491 36.438 1.053 19800 1890 1 7 . 1 1 73 73 LYS N N 73 120.911 120.911 121.210 -0.299 19800 1891 1 7 . 1 1 73 73 LYS HA H 73 4.177 4.177 4.154 0.023 19800 1892 1 7 . 1 1 73 73 LYS C C 73 179.460 179.460 177.523 1.937 19800 1893 1 7 . 1 1 73 73 LYS CA C 73 58.310 58.310 58.441 -0.131 19800 1894 1 7 . 1 1 73 73 LYS CB C 73 32.247 32.247 31.865 0.382 19800 1895 1 7 . 1 1 74 74 THR N N 74 110.017 110.017 114.805 -4.788 19800 1896 1 7 . 1 1 74 74 THR HA H 74 4.140 4.140 4.232 -0.092 19800 1897 1 7 . 1 1 74 74 THR C C 74 174.574 174.574 173.902 0.672 19800 1898 1 7 . 1 1 74 74 THR CA C 74 63.019 63.019 62.584 0.435 19800 1899 1 7 . 1 1 74 74 THR CB C 74 69.394 69.394 69.597 -0.203 19800 1900 1 7 . 1 1 75 75 TYR N N 75 122.005 122.005 125.252 -3.247 19800 1901 1 7 . 1 1 75 75 TYR HA H 75 4.468 4.468 4.355 0.113 19800 1902 1 7 . 1 1 75 75 TYR C C 75 174.634 174.634 174.156 0.478 19800 1903 1 7 . 1 1 75 75 TYR CA C 75 58.964 58.964 58.610 0.354 19800 1904 1 7 . 1 1 75 75 TYR CB C 75 38.945 38.945 37.685 1.260 19800 1905 1 8 . 1 1 20 20 ASP N N 20 121.855 121.855 116.138 5.717 19800 1906 1 8 . 1 1 20 20 ASP HA H 20 4.824 4.824 4.713 0.111 19800 1907 1 8 . 1 1 20 20 ASP C C 20 176.378 176.378 175.822 0.556 19800 1908 1 8 . 1 1 20 20 ASP CA C 20 54.063 54.063 53.482 0.581 19800 1909 1 8 . 1 1 20 20 ASP CB C 20 41.753 41.753 41.236 0.516 19800 1910 1 8 . 1 1 21 21 LYS N N 21 121.556 121.556 121.944 -0.388 19800 1911 1 8 . 1 1 21 21 LYS HA H 21 4.493 4.493 4.431 0.062 19800 1912 1 8 . 1 1 21 21 LYS C C 21 175.887 175.887 176.362 -0.475 19800 1913 1 8 . 1 1 21 21 LYS CA C 21 54.395 54.395 55.155 -0.760 19800 1914 1 8 . 1 1 21 21 LYS CB C 21 35.006 35.006 32.354 2.652 19800 1915 1 8 . 1 1 22 22 ASP N N 22 123.097 123.097 124.574 -1.477 19800 1916 1 8 . 1 1 22 22 ASP HA H 22 4.558 4.558 4.617 -0.059 19800 1917 1 8 . 1 1 22 22 ASP C C 22 175.402 175.402 175.451 -0.049 19800 1918 1 8 . 1 1 22 22 ASP CA C 22 55.514 55.514 54.302 1.212 19800 1919 1 8 . 1 1 22 22 ASP CB C 22 40.854 40.854 40.999 -0.145 19800 1920 1 8 . 1 1 23 23 LEU N N 23 126.265 126.265 125.304 0.961 19800 1921 1 8 . 1 1 23 23 LEU HA H 23 4.680 4.680 4.399 0.281 19800 1922 1 8 . 1 1 23 23 LEU C C 23 176.338 176.338 175.322 1.016 19800 1923 1 8 . 1 1 23 23 LEU CA C 23 56.204 56.204 55.872 0.332 19800 1924 1 8 . 1 1 23 23 LEU CB C 23 45.211 45.211 43.409 1.802 19800 1925 1 8 . 1 1 24 24 LEU N N 24 114.484 114.484 117.296 -2.812 19800 1926 1 8 . 1 1 24 24 LEU HA H 24 4.789 4.789 4.649 0.140 19800 1927 1 8 . 1 1 24 24 LEU C C 24 174.976 174.976 175.311 -0.335 19800 1928 1 8 . 1 1 24 24 LEU CA C 24 53.674 53.674 53.134 0.540 19800 1929 1 8 . 1 1 24 24 LEU CB C 24 49.345 49.345 45.329 4.016 19800 1930 1 8 . 1 1 25 25 LYS N N 25 118.529 118.529 120.976 -2.447 19800 1931 1 8 . 1 1 25 25 LYS HA H 25 4.994 4.994 4.544 0.450 19800 1932 1 8 . 1 1 25 25 LYS C C 25 176.242 176.242 176.519 -0.277 19800 1933 1 8 . 1 1 25 25 LYS CA C 25 55.210 55.210 54.937 0.273 19800 1934 1 8 . 1 1 25 25 LYS CB C 25 35.992 35.992 33.349 2.643 19800 1935 1 8 . 1 1 26 26 GLY N N 26 107.756 107.756 111.762 -4.006 19800 1936 1 8 . 1 1 26 26 GLY C C 26 176.034 176.034 174.148 1.886 19800 1937 1 8 . 1 1 26 26 GLY CA C 26 46.394 46.394 45.945 0.449 19800 1938 1 8 . 1 1 27 27 LEU N N 27 120.147 120.147 121.445 -1.298 19800 1939 1 8 . 1 1 27 27 LEU HA H 27 4.601 4.601 4.650 -0.049 19800 1940 1 8 . 1 1 27 27 LEU C C 27 179.874 179.874 175.670 4.204 19800 1941 1 8 . 1 1 27 27 LEU CA C 27 54.325 54.325 54.263 0.062 19800 1942 1 8 . 1 1 27 27 LEU CB C 27 43.622 43.622 45.016 -1.394 19800 1943 1 8 . 1 1 28 28 ASP N N 28 119.966 119.966 123.430 -3.464 19800 1944 1 8 . 1 1 28 28 ASP HA H 28 5.096 5.096 4.791 0.305 19800 1945 1 8 . 1 1 28 28 ASP C C 28 177.406 177.406 176.707 0.699 19800 1946 1 8 . 1 1 28 28 ASP CA C 28 52.835 52.835 54.197 -1.362 19800 1947 1 8 . 1 1 28 28 ASP CB C 28 41.180 41.180 43.505 -2.325 19800 1948 1 8 . 1 1 29 29 GLN N N 29 118.219 118.219 121.995 -3.776 19800 1949 1 8 . 1 1 29 29 GLN HA H 29 2.969 2.969 3.863 -0.894 19800 1950 1 8 . 1 1 29 29 GLN C C 29 178.379 178.379 177.634 0.745 19800 1951 1 8 . 1 1 29 29 GLN CA C 29 59.978 59.978 59.318 0.660 19800 1952 1 8 . 1 1 29 29 GLN CB C 29 28.897 28.897 28.574 0.323 19800 1953 1 8 . 1 1 30 30 GLU N N 30 118.429 118.429 118.174 0.255 19800 1954 1 8 . 1 1 30 30 GLU HA H 30 3.986 3.986 3.944 0.042 19800 1955 1 8 . 1 1 30 30 GLU C C 30 182.812 182.812 178.990 3.822 19800 1956 1 8 . 1 1 30 30 GLU CA C 30 59.730 59.730 59.321 0.409 19800 1957 1 8 . 1 1 30 30 GLU CB C 30 28.936 28.936 29.059 -0.123 19800 1958 1 8 . 1 1 31 31 GLN N N 31 120.672 120.672 119.259 1.413 19800 1959 1 8 . 1 1 31 31 GLN HA H 31 4.068 4.068 4.155 -0.087 19800 1960 1 8 . 1 1 31 31 GLN C C 31 180.864 180.864 178.388 2.476 19800 1961 1 8 . 1 1 31 31 GLN CA C 31 58.612 58.612 58.550 0.062 19800 1962 1 8 . 1 1 31 31 GLN CB C 31 29.844 29.844 28.130 1.714 19800 1963 1 8 . 1 1 32 32 ALA N N 32 120.200 120.200 122.580 -2.380 19800 1964 1 8 . 1 1 32 32 ALA HA H 32 3.771 3.771 3.964 -0.193 19800 1965 1 8 . 1 1 32 32 ALA C C 32 180.339 180.339 178.823 1.516 19800 1966 1 8 . 1 1 32 32 ALA CA C 32 55.122 55.122 55.180 -0.058 19800 1967 1 8 . 1 1 32 32 ALA CB C 32 17.289 17.289 18.286 -0.997 19800 1968 1 8 . 1 1 33 33 ASN N N 33 115.507 115.507 116.703 -1.196 19800 1969 1 8 . 1 1 33 33 ASN HA H 33 4.292 4.292 4.402 -0.110 19800 1970 1 8 . 1 1 33 33 ASN C C 33 180.713 180.713 177.420 3.293 19800 1971 1 8 . 1 1 33 33 ASN CA C 33 55.479 55.479 56.664 -1.185 19800 1972 1 8 . 1 1 33 33 ASN CB C 33 37.104 37.104 38.414 -1.310 19800 1973 1 8 . 1 1 34 34 GLU N N 34 122.826 122.826 119.173 3.653 19800 1974 1 8 . 1 1 34 34 GLU HA H 34 4.083 4.083 4.136 -0.053 19800 1975 1 8 . 1 1 34 34 GLU C C 34 180.367 180.367 178.958 1.409 19800 1976 1 8 . 1 1 34 34 GLU CA C 34 59.486 59.486 59.138 0.348 19800 1977 1 8 . 1 1 34 34 GLU CB C 34 29.370 29.370 29.424 -0.054 19800 1978 1 8 . 1 1 35 35 VAL N N 35 119.909 119.909 119.835 0.074 19800 1979 1 8 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.306 0.067 19800 1980 1 8 . 1 1 35 35 VAL C C 35 179.502 179.502 177.708 1.794 19800 1981 1 8 . 1 1 35 35 VAL CA C 35 66.809 66.809 65.232 1.577 19800 1982 1 8 . 1 1 35 35 VAL CB C 35 31.000 31.000 31.781 -0.781 19800 1983 1 8 . 1 1 36 36 ILE N N 36 118.626 118.626 120.343 -1.717 19800 1984 1 8 . 1 1 36 36 ILE HA H 36 3.514 3.514 3.618 -0.104 19800 1985 1 8 . 1 1 36 36 ILE C C 36 180.436 180.436 176.989 3.447 19800 1986 1 8 . 1 1 36 36 ILE CA C 36 64.355 64.355 64.347 0.008 19800 1987 1 8 . 1 1 36 36 ILE CB C 36 36.534 36.534 37.857 -1.323 19800 1988 1 8 . 1 1 37 37 ALA N N 37 122.361 122.361 122.645 -0.284 19800 1989 1 8 . 1 1 37 37 ALA HA H 37 4.145 4.145 4.005 0.140 19800 1990 1 8 . 1 1 37 37 ALA C C 37 183.902 183.902 179.468 4.434 19800 1991 1 8 . 1 1 37 37 ALA CA C 37 55.433 55.433 55.508 -0.075 19800 1992 1 8 . 1 1 37 37 ALA CB C 37 17.807 17.807 17.787 0.020 19800 1993 1 8 . 1 1 38 38 VAL N N 38 120.987 120.987 119.814 1.173 19800 1994 1 8 . 1 1 38 38 VAL HA H 38 3.630 3.630 3.701 -0.071 19800 1995 1 8 . 1 1 38 38 VAL C C 38 180.529 180.529 178.333 2.196 19800 1996 1 8 . 1 1 38 38 VAL CA C 38 66.453 66.453 66.125 0.328 19800 1997 1 8 . 1 1 38 38 VAL CB C 38 31.763 31.763 31.679 0.084 19800 1998 1 8 . 1 1 39 39 LEU N N 39 119.408 119.408 120.420 -1.012 19800 1999 1 8 . 1 1 39 39 LEU HA H 39 3.929 3.929 3.916 0.013 19800 2000 1 8 . 1 1 39 39 LEU C C 39 183.063 183.063 179.465 3.598 19800 2001 1 8 . 1 1 39 39 LEU CA C 39 58.544 58.544 58.252 0.292 19800 2002 1 8 . 1 1 39 39 LEU CB C 39 39.409 39.409 40.287 -0.878 19800 2003 1 8 . 1 1 40 40 GLN N N 40 121.514 121.514 117.210 4.304 19800 2004 1 8 . 1 1 40 40 GLN HA H 40 3.928 3.928 4.141 -0.213 19800 2005 1 8 . 1 1 40 40 GLN C C 40 183.366 183.366 179.338 4.028 19800 2006 1 8 . 1 1 40 40 GLN CA C 40 59.324 59.324 57.837 1.487 19800 2007 1 8 . 1 1 40 40 GLN CB C 40 28.254 28.254 28.331 -0.077 19800 2008 1 8 . 1 1 41 41 MET N N 41 119.672 119.672 119.037 0.635 19800 2009 1 8 . 1 1 41 41 MET HA H 41 4.032 4.032 4.280 -0.248 19800 2010 1 8 . 1 1 41 41 MET C C 41 177.125 177.125 176.569 0.556 19800 2011 1 8 . 1 1 41 41 MET CA C 41 57.763 57.763 56.365 1.398 19800 2012 1 8 . 1 1 41 41 MET CB C 41 31.579 31.579 32.518 -0.939 19800 2013 1 8 . 1 1 42 42 HIS N N 42 115.329 115.329 115.387 -0.058 19800 2014 1 8 . 1 1 42 42 HIS HA H 42 4.371 4.371 4.484 -0.113 19800 2015 1 8 . 1 1 42 42 HIS C C 42 171.216 171.216 174.394 -3.178 19800 2016 1 8 . 1 1 42 42 HIS CA C 42 54.601 54.601 55.840 -1.239 19800 2017 1 8 . 1 1 42 42 HIS CB C 42 27.399 27.399 29.199 -1.800 19800 2018 1 8 . 1 1 43 43 ASN N N 43 112.995 112.995 114.814 -1.819 19800 2019 1 8 . 1 1 43 43 ASN HA H 43 4.293 4.293 4.341 -0.048 19800 2020 1 8 . 1 1 43 43 ASN C C 43 173.011 173.011 174.070 -1.059 19800 2021 1 8 . 1 1 43 43 ASN CA C 43 54.571 54.571 54.782 -0.211 19800 2022 1 8 . 1 1 43 43 ASN CB C 43 36.981 36.981 37.079 -0.098 19800 2023 1 8 . 1 1 44 44 ILE N N 44 120.077 120.077 119.972 0.105 19800 2024 1 8 . 1 1 44 44 ILE HA H 44 4.225 4.225 4.489 -0.264 19800 2025 1 8 . 1 1 44 44 ILE C C 44 174.630 174.630 174.597 0.033 19800 2026 1 8 . 1 1 44 44 ILE CA C 44 60.469 60.469 59.370 1.099 19800 2027 1 8 . 1 1 44 44 ILE CB C 44 39.933 39.933 40.918 -0.985 19800 2028 1 8 . 1 1 45 45 GLU N N 45 129.083 129.083 127.299 1.784 19800 2029 1 8 . 1 1 45 45 GLU HA H 45 4.144 4.144 4.186 -0.042 19800 2030 1 8 . 1 1 45 45 GLU C C 45 174.368 174.368 175.071 -0.703 19800 2031 1 8 . 1 1 45 45 GLU CA C 45 56.121 56.121 56.991 -0.870 19800 2032 1 8 . 1 1 45 45 GLU CB C 45 29.979 29.979 30.324 -0.345 19800 2033 1 8 . 1 1 46 46 ALA N N 46 127.014 127.014 129.729 -2.715 19800 2034 1 8 . 1 1 46 46 ALA HA H 46 5.087 5.087 4.573 0.514 19800 2035 1 8 . 1 1 46 46 ALA C C 46 175.515 175.515 176.153 -0.638 19800 2036 1 8 . 1 1 46 46 ALA CA C 46 50.426 50.426 50.928 -0.502 19800 2037 1 8 . 1 1 46 46 ALA CB C 46 23.581 23.581 20.999 2.582 19800 2038 1 8 . 1 1 47 47 ASN N N 47 117.293 117.293 123.051 -5.758 19800 2039 1 8 . 1 1 47 47 ASN HA H 47 5.059 5.059 4.977 0.082 19800 2040 1 8 . 1 1 47 47 ASN C C 47 172.618 172.618 174.762 -2.144 19800 2041 1 8 . 1 1 47 47 ASN CA C 47 51.733 51.733 52.336 -0.603 19800 2042 1 8 . 1 1 47 47 ASN CB C 47 41.163 41.163 41.575 -0.412 19800 2043 1 8 . 1 1 48 48 LYS N N 48 121.209 121.209 120.764 0.445 19800 2044 1 8 . 1 1 48 48 LYS HA H 48 5.302 5.302 4.963 0.339 19800 2045 1 8 . 1 1 48 48 LYS C C 48 175.186 175.186 176.512 -1.326 19800 2046 1 8 . 1 1 48 48 LYS CA C 48 54.377 54.377 55.696 -1.319 19800 2047 1 8 . 1 1 48 48 LYS CB C 48 34.817 34.817 34.109 0.708 19800 2048 1 8 . 1 1 49 49 ILE N N 49 127.508 127.508 121.025 6.483 19800 2049 1 8 . 1 1 49 49 ILE HA H 49 4.335 4.335 4.479 -0.144 19800 2050 1 8 . 1 1 49 49 ILE C C 49 175.247 175.247 174.253 0.994 19800 2051 1 8 . 1 1 49 49 ILE CA C 49 59.683 59.683 59.728 -0.045 19800 2052 1 8 . 1 1 49 49 ILE CB C 49 39.941 39.941 37.342 2.599 19800 2053 1 8 . 1 1 50 50 ASP N N 50 127.775 127.775 125.359 2.416 19800 2054 1 8 . 1 1 50 50 ASP HA H 50 3.854 3.854 4.852 -0.998 19800 2055 1 8 . 1 1 50 50 ASP C C 50 177.327 177.327 176.169 1.158 19800 2056 1 8 . 1 1 50 50 ASP CA C 50 53.639 53.639 53.796 -0.157 19800 2057 1 8 . 1 1 50 50 ASP CB C 50 40.857 40.857 41.551 -0.694 19800 2058 1 8 . 1 1 51 51 SER N N 51 123.948 123.948 119.242 4.706 19800 2059 1 8 . 1 1 51 51 SER HA H 51 4.660 4.660 4.633 0.027 19800 2060 1 8 . 1 1 51 51 SER C C 51 177.258 177.258 174.988 2.270 19800 2061 1 8 . 1 1 51 51 SER CA C 51 57.111 57.111 57.454 -0.343 19800 2062 1 8 . 1 1 51 51 SER CB C 51 63.271 63.271 66.208 -2.937 19800 2063 1 8 . 1 1 52 52 GLY N N 52 112.626 112.626 112.434 0.192 19800 2064 1 8 . 1 1 52 52 GLY C C 52 178.261 178.261 175.188 3.073 19800 2065 1 8 . 1 1 52 52 GLY CA C 52 46.450 46.450 47.303 -0.853 19800 2066 1 8 . 1 1 53 53 LYS HA H 53 4.119 4.119 4.139 -0.020 19800 2067 1 8 . 1 1 53 53 LYS C C 53 178.526 178.526 176.822 1.704 19800 2068 1 8 . 1 1 53 53 LYS CA C 53 58.349 58.349 57.354 0.995 19800 2069 1 8 . 1 1 53 53 LYS CB C 53 32.038 32.038 32.244 -0.206 19800 2070 1 8 . 1 1 54 54 LEU N N 54 117.133 117.133 118.117 -0.984 19800 2071 1 8 . 1 1 54 54 LEU HA H 54 4.309 4.309 4.498 -0.190 19800 2072 1 8 . 1 1 54 54 LEU C C 54 178.832 178.832 176.382 2.450 19800 2073 1 8 . 1 1 54 54 LEU CA C 54 54.958 54.958 54.978 -0.020 19800 2074 1 8 . 1 1 54 54 LEU CB C 54 41.155 41.155 44.670 -3.515 19800 2075 1 8 . 1 1 55 55 GLY N N 55 106.946 106.946 106.732 0.214 19800 2076 1 8 . 1 1 55 55 GLY C C 55 172.511 172.511 172.504 0.007 19800 2077 1 8 . 1 1 55 55 GLY CA C 55 44.519 44.519 44.749 -0.230 19800 2078 1 8 . 1 1 56 56 TYR N N 56 119.500 119.500 123.788 -4.288 19800 2079 1 8 . 1 1 56 56 TYR HA H 56 5.267 5.267 4.773 0.494 19800 2080 1 8 . 1 1 56 56 TYR C C 56 177.412 177.412 174.044 3.368 19800 2081 1 8 . 1 1 56 56 TYR CA C 56 57.986 57.986 57.570 0.416 19800 2082 1 8 . 1 1 56 56 TYR CB C 56 40.838 40.838 40.867 -0.029 19800 2083 1 8 . 1 1 57 57 SER N N 57 114.460 114.460 115.434 -0.974 19800 2084 1 8 . 1 1 57 57 SER HA H 57 5.386 5.386 4.782 0.604 19800 2085 1 8 . 1 1 57 57 SER C C 57 171.818 171.818 172.653 -0.835 19800 2086 1 8 . 1 1 57 57 SER CA C 57 55.817 55.817 56.557 -0.740 19800 2087 1 8 . 1 1 57 57 SER CB C 57 65.566 65.566 66.746 -1.180 19800 2088 1 8 . 1 1 58 58 ILE N N 58 121.240 121.240 121.178 0.062 19800 2089 1 8 . 1 1 58 58 ILE HA H 58 5.538 5.538 5.014 0.524 19800 2090 1 8 . 1 1 58 58 ILE C C 58 176.822 176.822 175.867 0.955 19800 2091 1 8 . 1 1 58 58 ILE CA C 58 57.040 57.040 59.702 -2.662 19800 2092 1 8 . 1 1 58 58 ILE CB C 58 39.157 39.157 38.687 0.470 19800 2093 1 8 . 1 1 59 59 THR N N 59 118.505 118.505 118.164 0.341 19800 2094 1 8 . 1 1 59 59 THR HA H 59 5.435 5.435 4.833 0.602 19800 2095 1 8 . 1 1 59 59 THR C C 59 172.703 172.703 172.668 0.035 19800 2096 1 8 . 1 1 59 59 THR CA C 59 58.889 58.889 59.832 -0.943 19800 2097 1 8 . 1 1 59 59 THR CB C 59 71.574 71.574 71.144 0.430 19800 2098 1 8 . 1 1 60 60 VAL N N 60 111.299 111.299 116.326 -5.027 19800 2099 1 8 . 1 1 60 60 VAL HA H 60 4.787 4.787 4.641 0.146 19800 2100 1 8 . 1 1 60 60 VAL C C 60 173.802 173.802 173.778 0.024 19800 2101 1 8 . 1 1 60 60 VAL CA C 60 58.594 58.594 58.885 -0.290 19800 2102 1 8 . 1 1 60 60 VAL CB C 60 36.560 36.560 35.147 1.413 19800 2103 1 8 . 1 1 61 61 ALA N N 61 125.688 125.688 121.937 3.751 19800 2104 1 8 . 1 1 61 61 ALA HA H 61 4.678 4.678 4.399 0.280 19800 2105 1 8 . 1 1 61 61 ALA C C 61 182.244 182.244 178.879 3.365 19800 2106 1 8 . 1 1 61 61 ALA CA C 61 52.304 52.304 52.259 0.045 19800 2107 1 8 . 1 1 61 61 ALA CB C 61 19.742 19.742 19.370 0.372 19800 2108 1 8 . 1 1 62 62 GLU N N 62 122.612 122.612 120.059 2.553 19800 2109 1 8 . 1 1 62 62 GLU HA H 62 3.970 3.970 4.094 -0.124 19800 2110 1 8 . 1 1 62 62 GLU C C 62 175.922 175.922 176.970 -1.048 19800 2111 1 8 . 1 1 62 62 GLU CA C 62 62.328 62.328 60.903 1.425 19800 2112 1 8 . 1 1 62 62 GLU CB C 62 27.421 27.421 27.522 -0.101 19800 2113 1 8 . 1 1 63 63 PRO HA H 63 4.486 4.486 4.454 0.032 19800 2114 1 8 . 1 1 63 63 PRO C C 63 178.721 178.721 177.117 1.604 19800 2115 1 8 . 1 1 63 63 PRO CA C 63 65.517 65.517 64.286 1.231 19800 2116 1 8 . 1 1 63 63 PRO CB C 63 31.124 31.124 31.391 -0.267 19800 2117 1 8 . 1 1 64 64 ASP N N 64 115.002 115.002 118.498 -3.496 19800 2118 1 8 . 1 1 64 64 ASP HA H 64 4.994 4.994 4.777 0.217 19800 2119 1 8 . 1 1 64 64 ASP C C 64 176.565 176.565 176.829 -0.264 19800 2120 1 8 . 1 1 64 64 ASP CA C 64 54.701 54.701 55.139 -0.438 19800 2121 1 8 . 1 1 64 64 ASP CB C 64 43.082 43.082 41.234 1.848 19800 2122 1 8 . 1 1 65 65 PHE N N 65 122.010 122.010 121.181 0.829 19800 2123 1 8 . 1 1 65 65 PHE HA H 65 3.926 3.926 4.116 -0.190 19800 2124 1 8 . 1 1 65 65 PHE C C 65 175.918 175.918 176.772 -0.854 19800 2125 1 8 . 1 1 65 65 PHE CA C 65 63.611 63.611 62.262 1.349 19800 2126 1 8 . 1 1 65 65 PHE CB C 65 40.354 40.354 39.270 1.084 19800 2127 1 8 . 1 1 66 66 THR N N 66 112.195 112.195 113.658 -1.463 19800 2128 1 8 . 1 1 66 66 THR HA H 66 3.660 3.660 3.811 -0.151 19800 2129 1 8 . 1 1 66 66 THR C C 66 178.106 178.106 176.092 2.014 19800 2130 1 8 . 1 1 66 66 THR CA C 66 66.742 66.742 66.033 0.709 19800 2131 1 8 . 1 1 66 66 THR CB C 66 68.412 68.412 68.576 -0.164 19800 2132 1 8 . 1 1 67 67 ALA N N 67 124.955 124.955 122.595 2.360 19800 2133 1 8 . 1 1 67 67 ALA HA H 67 4.044 4.044 3.832 0.212 19800 2134 1 8 . 1 1 67 67 ALA C C 67 180.268 180.268 178.806 1.462 19800 2135 1 8 . 1 1 67 67 ALA CA C 67 54.618 54.618 54.529 0.089 19800 2136 1 8 . 1 1 67 67 ALA CB C 67 18.408 18.408 17.905 0.503 19800 2137 1 8 . 1 1 68 68 ALA N N 68 119.593 119.593 120.930 -1.337 19800 2138 1 8 . 1 1 68 68 ALA HA H 68 3.966 3.966 3.968 -0.002 19800 2139 1 8 . 1 1 68 68 ALA C C 68 181.033 181.033 179.440 1.593 19800 2140 1 8 . 1 1 68 68 ALA CA C 68 55.623 55.623 54.970 0.653 19800 2141 1 8 . 1 1 68 68 ALA CB C 68 19.802 19.802 18.062 1.740 19800 2142 1 8 . 1 1 69 69 VAL N N 69 115.582 115.582 118.624 -3.042 19800 2143 1 8 . 1 1 69 69 VAL HA H 69 3.257 3.257 3.353 -0.096 19800 2144 1 8 . 1 1 69 69 VAL C C 69 179.000 179.000 177.851 1.149 19800 2145 1 8 . 1 1 69 69 VAL CA C 69 66.077 66.077 67.056 -0.979 19800 2146 1 8 . 1 1 69 69 VAL CB C 69 31.684 31.684 31.132 0.552 19800 2147 1 8 . 1 1 70 70 TYR N N 70 118.722 118.722 119.013 -0.291 19800 2148 1 8 . 1 1 70 70 TYR HA H 70 3.805 3.805 3.971 -0.166 19800 2149 1 8 . 1 1 70 70 TYR C C 70 180.084 180.084 177.902 2.182 19800 2150 1 8 . 1 1 70 70 TYR CA C 70 61.459 61.459 62.476 -1.017 19800 2151 1 8 . 1 1 70 70 TYR CB C 70 37.712 37.712 37.487 0.225 19800 2152 1 8 . 1 1 71 71 TRP N N 71 117.180 117.180 118.517 -1.337 19800 2153 1 8 . 1 1 71 71 TRP HA H 71 4.482 4.482 4.208 0.274 19800 2154 1 8 . 1 1 71 71 TRP C C 71 180.643 180.643 178.845 1.798 19800 2155 1 8 . 1 1 71 71 TRP CA C 71 58.833 58.833 58.712 0.121 19800 2156 1 8 . 1 1 71 71 TRP CB C 71 30.133 30.133 29.376 0.757 19800 2157 1 8 . 1 1 72 72 ILE N N 72 113.422 113.422 119.066 -5.644 19800 2158 1 8 . 1 1 72 72 ILE HA H 72 4.452 4.452 3.709 0.743 19800 2159 1 8 . 1 1 72 72 ILE C C 72 178.490 178.490 178.056 0.434 19800 2160 1 8 . 1 1 72 72 ILE CA C 72 61.563 61.563 63.165 -1.602 19800 2161 1 8 . 1 1 72 72 ILE CB C 72 37.491 37.491 36.692 0.799 19800 2162 1 8 . 1 1 73 73 LYS N N 73 120.911 120.911 120.233 0.678 19800 2163 1 8 . 1 1 73 73 LYS HA H 73 4.177 4.177 4.068 0.109 19800 2164 1 8 . 1 1 73 73 LYS C C 73 179.460 179.460 177.916 1.544 19800 2165 1 8 . 1 1 73 73 LYS CA C 73 58.310 58.310 59.593 -1.283 19800 2166 1 8 . 1 1 73 73 LYS CB C 73 32.247 32.247 32.141 0.106 19800 2167 1 8 . 1 1 74 74 THR N N 74 110.017 110.017 112.074 -2.057 19800 2168 1 8 . 1 1 74 74 THR HA H 74 4.140 4.140 4.319 -0.179 19800 2169 1 8 . 1 1 74 74 THR C C 74 174.574 174.574 174.923 -0.349 19800 2170 1 8 . 1 1 74 74 THR CA C 74 63.019 63.019 64.007 -0.988 19800 2171 1 8 . 1 1 74 74 THR CB C 74 69.394 69.394 68.738 0.656 19800 2172 1 8 . 1 1 75 75 TYR N N 75 122.005 122.005 121.652 0.353 19800 2173 1 8 . 1 1 75 75 TYR HA H 75 4.468 4.468 4.515 -0.047 19800 2174 1 8 . 1 1 75 75 TYR C C 75 174.634 174.634 175.676 -1.042 19800 2175 1 8 . 1 1 75 75 TYR CA C 75 58.964 58.964 59.683 -0.719 19800 2176 1 8 . 1 1 75 75 TYR CB C 75 38.945 38.945 39.533 -0.588 19800 2177 1 9 . 1 1 20 20 ASP N N 20 121.855 121.855 122.705 -0.850 19800 2178 1 9 . 1 1 20 20 ASP HA H 20 4.824 4.824 4.495 0.329 19800 2179 1 9 . 1 1 20 20 ASP C C 20 176.378 176.378 175.456 0.922 19800 2180 1 9 . 1 1 20 20 ASP CA C 20 54.063 54.063 54.780 -0.717 19800 2181 1 9 . 1 1 20 20 ASP CB C 20 41.753 41.753 40.082 1.671 19800 2182 1 9 . 1 1 21 21 LYS N N 21 121.556 121.556 123.178 -1.622 19800 2183 1 9 . 1 1 21 21 LYS HA H 21 4.493 4.493 4.414 0.079 19800 2184 1 9 . 1 1 21 21 LYS C C 21 175.887 175.887 175.921 -0.034 19800 2185 1 9 . 1 1 21 21 LYS CA C 21 54.395 54.395 54.247 0.148 19800 2186 1 9 . 1 1 21 21 LYS CB C 21 35.006 35.006 33.049 1.957 19800 2187 1 9 . 1 1 22 22 ASP N N 22 123.097 123.097 125.802 -2.705 19800 2188 1 9 . 1 1 22 22 ASP HA H 22 4.558 4.558 4.641 -0.083 19800 2189 1 9 . 1 1 22 22 ASP C C 22 175.402 175.402 175.298 0.104 19800 2190 1 9 . 1 1 22 22 ASP CA C 22 55.514 55.514 53.894 1.620 19800 2191 1 9 . 1 1 22 22 ASP CB C 22 40.854 40.854 40.946 -0.092 19800 2192 1 9 . 1 1 23 23 LEU N N 23 126.265 126.265 124.971 1.294 19800 2193 1 9 . 1 1 23 23 LEU HA H 23 4.680 4.680 4.410 0.270 19800 2194 1 9 . 1 1 23 23 LEU C C 23 176.338 176.338 175.911 0.427 19800 2195 1 9 . 1 1 23 23 LEU CA C 23 56.204 56.204 56.648 -0.444 19800 2196 1 9 . 1 1 23 23 LEU CB C 23 45.211 45.211 43.000 2.211 19800 2197 1 9 . 1 1 24 24 LEU N N 24 114.484 114.484 117.280 -2.796 19800 2198 1 9 . 1 1 24 24 LEU HA H 24 4.789 4.789 4.475 0.314 19800 2199 1 9 . 1 1 24 24 LEU C C 24 174.976 174.976 175.624 -0.648 19800 2200 1 9 . 1 1 24 24 LEU CA C 24 53.674 53.674 54.165 -0.491 19800 2201 1 9 . 1 1 24 24 LEU CB C 24 49.345 49.345 43.433 5.912 19800 2202 1 9 . 1 1 25 25 LYS N N 25 118.529 118.529 119.843 -1.314 19800 2203 1 9 . 1 1 25 25 LYS HA H 25 4.994 4.994 4.436 0.558 19800 2204 1 9 . 1 1 25 25 LYS C C 25 176.242 176.242 176.370 -0.128 19800 2205 1 9 . 1 1 25 25 LYS CA C 25 55.210 55.210 55.693 -0.483 19800 2206 1 9 . 1 1 25 25 LYS CB C 25 35.992 35.992 33.587 2.405 19800 2207 1 9 . 1 1 26 26 GLY N N 26 107.756 107.756 112.132 -4.376 19800 2208 1 9 . 1 1 26 26 GLY C C 26 176.034 176.034 173.896 2.138 19800 2209 1 9 . 1 1 26 26 GLY CA C 26 46.394 46.394 45.810 0.584 19800 2210 1 9 . 1 1 27 27 LEU N N 27 120.147 120.147 120.506 -0.359 19800 2211 1 9 . 1 1 27 27 LEU HA H 27 4.601 4.601 4.624 -0.023 19800 2212 1 9 . 1 1 27 27 LEU C C 27 179.874 179.874 175.941 3.933 19800 2213 1 9 . 1 1 27 27 LEU CA C 27 54.325 54.325 54.169 0.156 19800 2214 1 9 . 1 1 27 27 LEU CB C 27 43.622 43.622 43.935 -0.313 19800 2215 1 9 . 1 1 28 28 ASP N N 28 119.966 119.966 120.663 -0.697 19800 2216 1 9 . 1 1 28 28 ASP HA H 28 5.096 5.096 4.919 0.177 19800 2217 1 9 . 1 1 28 28 ASP C C 28 177.406 177.406 176.585 0.821 19800 2218 1 9 . 1 1 28 28 ASP CA C 28 52.835 52.835 52.838 -0.003 19800 2219 1 9 . 1 1 28 28 ASP CB C 28 41.180 41.180 43.946 -2.766 19800 2220 1 9 . 1 1 29 29 GLN N N 29 118.219 118.219 120.049 -1.830 19800 2221 1 9 . 1 1 29 29 GLN HA H 29 2.969 2.969 3.733 -0.764 19800 2222 1 9 . 1 1 29 29 GLN C C 29 178.379 178.379 177.549 0.830 19800 2223 1 9 . 1 1 29 29 GLN CA C 29 59.978 59.978 59.184 0.794 19800 2224 1 9 . 1 1 29 29 GLN CB C 29 28.897 28.897 28.154 0.743 19800 2225 1 9 . 1 1 30 30 GLU N N 30 118.429 118.429 117.168 1.261 19800 2226 1 9 . 1 1 30 30 GLU HA H 30 3.986 3.986 3.900 0.086 19800 2227 1 9 . 1 1 30 30 GLU C C 30 182.812 182.812 178.582 4.230 19800 2228 1 9 . 1 1 30 30 GLU CA C 30 59.730 59.730 59.063 0.667 19800 2229 1 9 . 1 1 30 30 GLU CB C 30 28.936 28.936 28.729 0.207 19800 2230 1 9 . 1 1 31 31 GLN N N 31 120.672 120.672 119.592 1.080 19800 2231 1 9 . 1 1 31 31 GLN HA H 31 4.068 4.068 4.197 -0.129 19800 2232 1 9 . 1 1 31 31 GLN C C 31 180.864 180.864 177.788 3.076 19800 2233 1 9 . 1 1 31 31 GLN CA C 31 58.612 58.612 57.400 1.212 19800 2234 1 9 . 1 1 31 31 GLN CB C 31 29.844 29.844 28.629 1.215 19800 2235 1 9 . 1 1 32 32 ALA N N 32 120.200 120.200 122.802 -2.602 19800 2236 1 9 . 1 1 32 32 ALA HA H 32 3.771 3.771 3.920 -0.149 19800 2237 1 9 . 1 1 32 32 ALA C C 32 180.339 180.339 179.093 1.246 19800 2238 1 9 . 1 1 32 32 ALA CA C 32 55.122 55.122 55.100 0.022 19800 2239 1 9 . 1 1 32 32 ALA CB C 32 17.289 17.289 18.339 -1.050 19800 2240 1 9 . 1 1 33 33 ASN N N 33 115.507 115.507 116.379 -0.872 19800 2241 1 9 . 1 1 33 33 ASN HA H 33 4.292 4.292 4.368 -0.076 19800 2242 1 9 . 1 1 33 33 ASN C C 33 180.713 180.713 177.609 3.104 19800 2243 1 9 . 1 1 33 33 ASN CA C 33 55.479 55.479 56.563 -1.084 19800 2244 1 9 . 1 1 33 33 ASN CB C 33 37.104 37.104 38.555 -1.451 19800 2245 1 9 . 1 1 34 34 GLU N N 34 122.826 122.826 118.485 4.341 19800 2246 1 9 . 1 1 34 34 GLU HA H 34 4.083 4.083 4.066 0.017 19800 2247 1 9 . 1 1 34 34 GLU C C 34 180.367 180.367 178.537 1.830 19800 2248 1 9 . 1 1 34 34 GLU CA C 34 59.486 59.486 58.534 0.952 19800 2249 1 9 . 1 1 34 34 GLU CB C 34 29.370 29.370 29.203 0.167 19800 2250 1 9 . 1 1 35 35 VAL N N 35 119.909 119.909 119.936 -0.027 19800 2251 1 9 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.582 -0.209 19800 2252 1 9 . 1 1 35 35 VAL C C 35 179.502 179.502 178.205 1.297 19800 2253 1 9 . 1 1 35 35 VAL CA C 35 66.809 66.809 65.865 0.944 19800 2254 1 9 . 1 1 35 35 VAL CB C 35 31.000 31.000 31.970 -0.970 19800 2255 1 9 . 1 1 36 36 ILE N N 36 118.626 118.626 120.545 -1.919 19800 2256 1 9 . 1 1 36 36 ILE HA H 36 3.514 3.514 3.712 -0.198 19800 2257 1 9 . 1 1 36 36 ILE C C 36 180.436 180.436 176.625 3.811 19800 2258 1 9 . 1 1 36 36 ILE CA C 36 64.355 64.355 63.668 0.687 19800 2259 1 9 . 1 1 36 36 ILE CB C 36 36.534 36.534 37.692 -1.158 19800 2260 1 9 . 1 1 37 37 ALA N N 37 122.361 122.361 123.619 -1.258 19800 2261 1 9 . 1 1 37 37 ALA HA H 37 4.145 4.145 4.055 0.090 19800 2262 1 9 . 1 1 37 37 ALA C C 37 183.902 183.902 179.334 4.568 19800 2263 1 9 . 1 1 37 37 ALA CA C 37 55.433 55.433 55.012 0.421 19800 2264 1 9 . 1 1 37 37 ALA CB C 37 17.807 17.807 18.143 -0.336 19800 2265 1 9 . 1 1 38 38 VAL N N 38 120.987 120.987 118.480 2.507 19800 2266 1 9 . 1 1 38 38 VAL HA H 38 3.630 3.630 3.776 -0.146 19800 2267 1 9 . 1 1 38 38 VAL C C 38 180.529 180.529 177.569 2.960 19800 2268 1 9 . 1 1 38 38 VAL CA C 38 66.453 66.453 65.078 1.375 19800 2269 1 9 . 1 1 38 38 VAL CB C 38 31.763 31.763 31.978 -0.215 19800 2270 1 9 . 1 1 39 39 LEU N N 39 119.408 119.408 120.392 -0.984 19800 2271 1 9 . 1 1 39 39 LEU HA H 39 3.929 3.929 4.083 -0.154 19800 2272 1 9 . 1 1 39 39 LEU C C 39 183.063 183.063 178.975 4.088 19800 2273 1 9 . 1 1 39 39 LEU CA C 39 58.544 58.544 57.134 1.410 19800 2274 1 9 . 1 1 39 39 LEU CB C 39 39.409 39.409 40.322 -0.913 19800 2275 1 9 . 1 1 40 40 GLN N N 40 121.514 121.514 120.184 1.330 19800 2276 1 9 . 1 1 40 40 GLN HA H 40 3.928 3.928 4.019 -0.091 19800 2277 1 9 . 1 1 40 40 GLN C C 40 183.366 183.366 179.114 4.252 19800 2278 1 9 . 1 1 40 40 GLN CA C 40 59.324 59.324 58.990 0.334 19800 2279 1 9 . 1 1 40 40 GLN CB C 40 28.254 28.254 28.666 -0.412 19800 2280 1 9 . 1 1 41 41 MET N N 41 119.672 119.672 118.577 1.095 19800 2281 1 9 . 1 1 41 41 MET HA H 41 4.032 4.032 4.273 -0.241 19800 2282 1 9 . 1 1 41 41 MET C C 41 177.125 177.125 176.872 0.253 19800 2283 1 9 . 1 1 41 41 MET CA C 41 57.763 57.763 56.941 0.823 19800 2284 1 9 . 1 1 41 41 MET CB C 41 31.579 31.579 32.647 -1.068 19800 2285 1 9 . 1 1 42 42 HIS N N 42 115.329 115.329 115.064 0.265 19800 2286 1 9 . 1 1 42 42 HIS HA H 42 4.371 4.371 4.469 -0.098 19800 2287 1 9 . 1 1 42 42 HIS C C 42 171.216 171.216 174.724 -3.508 19800 2288 1 9 . 1 1 42 42 HIS CA C 42 54.601 54.601 56.294 -1.693 19800 2289 1 9 . 1 1 42 42 HIS CB C 42 27.399 27.399 29.986 -2.587 19800 2290 1 9 . 1 1 43 43 ASN N N 43 112.995 112.995 115.973 -2.978 19800 2291 1 9 . 1 1 43 43 ASN HA H 43 4.293 4.293 4.392 -0.099 19800 2292 1 9 . 1 1 43 43 ASN C C 43 173.011 173.011 173.922 -0.911 19800 2293 1 9 . 1 1 43 43 ASN CA C 43 54.571 54.571 54.578 -0.007 19800 2294 1 9 . 1 1 43 43 ASN CB C 43 36.981 36.981 37.084 -0.103 19800 2295 1 9 . 1 1 44 44 ILE N N 44 120.077 120.077 119.675 0.402 19800 2296 1 9 . 1 1 44 44 ILE HA H 44 4.225 4.225 4.442 -0.217 19800 2297 1 9 . 1 1 44 44 ILE C C 44 174.630 174.630 174.278 0.352 19800 2298 1 9 . 1 1 44 44 ILE CA C 44 60.469 60.469 59.851 0.618 19800 2299 1 9 . 1 1 44 44 ILE CB C 44 39.933 39.933 39.815 0.118 19800 2300 1 9 . 1 1 45 45 GLU N N 45 129.083 129.083 128.670 0.413 19800 2301 1 9 . 1 1 45 45 GLU HA H 45 4.144 4.144 4.402 -0.258 19800 2302 1 9 . 1 1 45 45 GLU C C 45 174.368 174.368 175.154 -0.786 19800 2303 1 9 . 1 1 45 45 GLU CA C 45 56.121 56.121 56.183 -0.062 19800 2304 1 9 . 1 1 45 45 GLU CB C 45 29.979 29.979 30.095 -0.115 19800 2305 1 9 . 1 1 46 46 ALA N N 46 127.014 127.014 126.303 0.711 19800 2306 1 9 . 1 1 46 46 ALA HA H 46 5.087 5.087 4.782 0.305 19800 2307 1 9 . 1 1 46 46 ALA C C 46 175.515 175.515 176.288 -0.773 19800 2308 1 9 . 1 1 46 46 ALA CA C 46 50.426 50.426 50.932 -0.506 19800 2309 1 9 . 1 1 46 46 ALA CB C 46 23.581 23.581 21.324 2.257 19800 2310 1 9 . 1 1 47 47 ASN N N 47 117.293 117.293 118.529 -1.236 19800 2311 1 9 . 1 1 47 47 ASN HA H 47 5.059 5.059 5.007 0.052 19800 2312 1 9 . 1 1 47 47 ASN C C 47 172.618 172.618 173.928 -1.310 19800 2313 1 9 . 1 1 47 47 ASN CA C 47 51.733 51.733 52.373 -0.640 19800 2314 1 9 . 1 1 47 47 ASN CB C 47 41.163 41.163 40.820 0.343 19800 2315 1 9 . 1 1 48 48 LYS N N 48 121.209 121.209 120.993 0.216 19800 2316 1 9 . 1 1 48 48 LYS HA H 48 5.302 5.302 4.709 0.593 19800 2317 1 9 . 1 1 48 48 LYS C C 48 175.186 175.186 176.386 -1.200 19800 2318 1 9 . 1 1 48 48 LYS CA C 48 54.377 54.377 55.251 -0.874 19800 2319 1 9 . 1 1 48 48 LYS CB C 48 34.817 34.817 32.870 1.947 19800 2320 1 9 . 1 1 49 49 ILE N N 49 127.508 127.508 122.371 5.137 19800 2321 1 9 . 1 1 49 49 ILE HA H 49 4.335 4.335 4.492 -0.157 19800 2322 1 9 . 1 1 49 49 ILE C C 49 175.247 175.247 174.187 1.060 19800 2323 1 9 . 1 1 49 49 ILE CA C 49 59.683 59.683 60.215 -0.533 19800 2324 1 9 . 1 1 49 49 ILE CB C 49 39.941 39.941 38.415 1.526 19800 2325 1 9 . 1 1 50 50 ASP N N 50 127.775 127.775 128.088 -0.313 19800 2326 1 9 . 1 1 50 50 ASP HA H 50 3.854 3.854 5.191 -1.337 19800 2327 1 9 . 1 1 50 50 ASP C C 50 177.327 177.327 175.751 1.576 19800 2328 1 9 . 1 1 50 50 ASP CA C 50 53.639 53.639 53.505 0.134 19800 2329 1 9 . 1 1 50 50 ASP CB C 50 40.857 40.857 42.475 -1.618 19800 2330 1 9 . 1 1 51 51 SER N N 51 123.948 123.948 120.857 3.091 19800 2331 1 9 . 1 1 51 51 SER HA H 51 4.660 4.660 4.653 0.007 19800 2332 1 9 . 1 1 51 51 SER C C 51 177.258 177.258 175.079 2.179 19800 2333 1 9 . 1 1 51 51 SER CA C 51 57.111 57.111 57.225 -0.114 19800 2334 1 9 . 1 1 51 51 SER CB C 51 63.271 63.271 66.469 -3.198 19800 2335 1 9 . 1 1 52 52 GLY N N 52 112.626 112.626 112.020 0.606 19800 2336 1 9 . 1 1 52 52 GLY C C 52 178.261 178.261 174.972 3.289 19800 2337 1 9 . 1 1 52 52 GLY CA C 52 46.450 46.450 47.488 -1.038 19800 2338 1 9 . 1 1 53 53 LYS HA H 53 4.119 4.119 4.246 -0.127 19800 2339 1 9 . 1 1 53 53 LYS C C 53 178.526 178.526 176.364 2.162 19800 2340 1 9 . 1 1 53 53 LYS CA C 53 58.349 58.349 56.916 1.433 19800 2341 1 9 . 1 1 53 53 LYS CB C 53 32.038 32.038 31.881 0.157 19800 2342 1 9 . 1 1 54 54 LEU N N 54 117.133 117.133 119.821 -2.688 19800 2343 1 9 . 1 1 54 54 LEU HA H 54 4.309 4.309 4.430 -0.121 19800 2344 1 9 . 1 1 54 54 LEU C C 54 178.832 178.832 176.839 1.993 19800 2345 1 9 . 1 1 54 54 LEU CA C 54 54.958 54.958 55.114 -0.156 19800 2346 1 9 . 1 1 54 54 LEU CB C 54 41.155 41.155 44.450 -3.295 19800 2347 1 9 . 1 1 55 55 GLY N N 55 106.946 106.946 106.800 0.146 19800 2348 1 9 . 1 1 55 55 GLY C C 55 172.511 172.511 172.826 -0.315 19800 2349 1 9 . 1 1 55 55 GLY CA C 55 44.519 44.519 45.041 -0.522 19800 2350 1 9 . 1 1 56 56 TYR N N 56 119.500 119.500 123.424 -3.924 19800 2351 1 9 . 1 1 56 56 TYR HA H 56 5.267 5.267 4.671 0.596 19800 2352 1 9 . 1 1 56 56 TYR C C 56 177.412 177.412 174.554 2.858 19800 2353 1 9 . 1 1 56 56 TYR CA C 56 57.986 57.986 58.590 -0.604 19800 2354 1 9 . 1 1 56 56 TYR CB C 56 40.838 40.838 40.114 0.724 19800 2355 1 9 . 1 1 57 57 SER N N 57 114.460 114.460 117.251 -2.791 19800 2356 1 9 . 1 1 57 57 SER HA H 57 5.386 5.386 4.934 0.452 19800 2357 1 9 . 1 1 57 57 SER C C 57 171.818 171.818 172.677 -0.859 19800 2358 1 9 . 1 1 57 57 SER CA C 57 55.817 55.817 56.826 -1.009 19800 2359 1 9 . 1 1 57 57 SER CB C 57 65.566 65.566 67.057 -1.491 19800 2360 1 9 . 1 1 58 58 ILE N N 58 121.240 121.240 122.349 -1.109 19800 2361 1 9 . 1 1 58 58 ILE HA H 58 5.538 5.538 4.596 0.942 19800 2362 1 9 . 1 1 58 58 ILE C C 58 176.822 176.822 175.827 0.995 19800 2363 1 9 . 1 1 58 58 ILE CA C 58 57.040 57.040 59.855 -2.816 19800 2364 1 9 . 1 1 58 58 ILE CB C 58 39.157 39.157 38.287 0.870 19800 2365 1 9 . 1 1 59 59 THR N N 59 118.505 118.505 120.052 -1.547 19800 2366 1 9 . 1 1 59 59 THR HA H 59 5.435 5.435 4.882 0.553 19800 2367 1 9 . 1 1 59 59 THR C C 59 172.703 172.703 172.756 -0.053 19800 2368 1 9 . 1 1 59 59 THR CA C 59 58.889 58.889 59.824 -0.935 19800 2369 1 9 . 1 1 59 59 THR CB C 59 71.574 71.574 71.073 0.501 19800 2370 1 9 . 1 1 60 60 VAL N N 60 111.299 111.299 117.308 -6.009 19800 2371 1 9 . 1 1 60 60 VAL HA H 60 4.787 4.787 4.693 0.094 19800 2372 1 9 . 1 1 60 60 VAL C C 60 173.802 173.802 174.112 -0.310 19800 2373 1 9 . 1 1 60 60 VAL CA C 60 58.594 58.594 59.215 -0.621 19800 2374 1 9 . 1 1 60 60 VAL CB C 60 36.560 36.560 35.574 0.986 19800 2375 1 9 . 1 1 61 61 ALA N N 61 125.688 125.688 121.516 4.172 19800 2376 1 9 . 1 1 61 61 ALA HA H 61 4.678 4.678 4.240 0.438 19800 2377 1 9 . 1 1 61 61 ALA C C 61 182.244 182.244 179.012 3.232 19800 2378 1 9 . 1 1 61 61 ALA CA C 61 52.304 52.304 52.850 -0.546 19800 2379 1 9 . 1 1 61 61 ALA CB C 61 19.742 19.742 19.352 0.390 19800 2380 1 9 . 1 1 62 62 GLU N N 62 122.612 122.612 122.802 -0.190 19800 2381 1 9 . 1 1 62 62 GLU HA H 62 3.970 3.970 4.025 -0.055 19800 2382 1 9 . 1 1 62 62 GLU C C 62 175.922 175.922 176.909 -0.987 19800 2383 1 9 . 1 1 62 62 GLU CA C 62 62.328 62.328 61.107 1.221 19800 2384 1 9 . 1 1 62 62 GLU CB C 62 27.421 27.421 27.692 -0.271 19800 2385 1 9 . 1 1 63 63 PRO HA H 63 4.486 4.486 4.406 0.080 19800 2386 1 9 . 1 1 63 63 PRO C C 63 178.721 178.721 177.919 0.802 19800 2387 1 9 . 1 1 63 63 PRO CA C 63 65.517 65.517 64.824 0.693 19800 2388 1 9 . 1 1 63 63 PRO CB C 63 31.124 31.124 31.477 -0.353 19800 2389 1 9 . 1 1 64 64 ASP N N 64 115.002 115.002 118.793 -3.791 19800 2390 1 9 . 1 1 64 64 ASP HA H 64 4.994 4.994 4.639 0.355 19800 2391 1 9 . 1 1 64 64 ASP C C 64 176.565 176.565 177.147 -0.582 19800 2392 1 9 . 1 1 64 64 ASP CA C 64 54.701 54.701 55.555 -0.854 19800 2393 1 9 . 1 1 64 64 ASP CB C 64 43.082 43.082 40.476 2.606 19800 2394 1 9 . 1 1 65 65 PHE N N 65 122.010 122.010 121.016 0.994 19800 2395 1 9 . 1 1 65 65 PHE HA H 65 3.926 3.926 4.170 -0.244 19800 2396 1 9 . 1 1 65 65 PHE C C 65 175.918 175.918 176.450 -0.532 19800 2397 1 9 . 1 1 65 65 PHE CA C 65 63.611 63.611 61.321 2.290 19800 2398 1 9 . 1 1 65 65 PHE CB C 65 40.354 40.354 39.336 1.018 19800 2399 1 9 . 1 1 66 66 THR N N 66 112.195 112.195 113.991 -1.796 19800 2400 1 9 . 1 1 66 66 THR HA H 66 3.660 3.660 3.751 -0.091 19800 2401 1 9 . 1 1 66 66 THR C C 66 178.106 178.106 176.082 2.024 19800 2402 1 9 . 1 1 66 66 THR CA C 66 66.742 66.742 65.716 1.026 19800 2403 1 9 . 1 1 66 66 THR CB C 66 68.412 68.412 68.455 -0.043 19800 2404 1 9 . 1 1 67 67 ALA N N 67 124.955 124.955 122.811 2.144 19800 2405 1 9 . 1 1 67 67 ALA HA H 67 4.044 4.044 3.704 0.340 19800 2406 1 9 . 1 1 67 67 ALA C C 67 180.268 180.268 178.481 1.787 19800 2407 1 9 . 1 1 67 67 ALA CA C 67 54.618 54.618 54.304 0.314 19800 2408 1 9 . 1 1 67 67 ALA CB C 67 18.408 18.408 18.105 0.303 19800 2409 1 9 . 1 1 68 68 ALA N N 68 119.593 119.593 122.099 -2.506 19800 2410 1 9 . 1 1 68 68 ALA HA H 68 3.966 3.966 3.984 -0.018 19800 2411 1 9 . 1 1 68 68 ALA C C 68 181.033 181.033 179.475 1.558 19800 2412 1 9 . 1 1 68 68 ALA CA C 68 55.623 55.623 55.174 0.449 19800 2413 1 9 . 1 1 68 68 ALA CB C 68 19.802 19.802 18.052 1.750 19800 2414 1 9 . 1 1 69 69 VAL N N 69 115.582 115.582 117.547 -1.965 19800 2415 1 9 . 1 1 69 69 VAL HA H 69 3.257 3.257 3.466 -0.209 19800 2416 1 9 . 1 1 69 69 VAL C C 69 179.000 179.000 177.696 1.304 19800 2417 1 9 . 1 1 69 69 VAL CA C 69 66.077 66.077 66.301 -0.224 19800 2418 1 9 . 1 1 69 69 VAL CB C 69 31.684 31.684 30.538 1.146 19800 2419 1 9 . 1 1 70 70 TYR N N 70 118.722 118.722 121.025 -2.303 19800 2420 1 9 . 1 1 70 70 TYR HA H 70 3.805 3.805 3.927 -0.122 19800 2421 1 9 . 1 1 70 70 TYR C C 70 180.084 180.084 177.554 2.530 19800 2422 1 9 . 1 1 70 70 TYR CA C 70 61.459 61.459 62.298 -0.839 19800 2423 1 9 . 1 1 70 70 TYR CB C 70 37.712 37.712 38.019 -0.307 19800 2424 1 9 . 1 1 71 71 TRP N N 71 117.180 117.180 117.773 -0.593 19800 2425 1 9 . 1 1 71 71 TRP HA H 71 4.482 4.482 4.418 0.064 19800 2426 1 9 . 1 1 71 71 TRP C C 71 180.643 180.643 178.978 1.665 19800 2427 1 9 . 1 1 71 71 TRP CA C 71 58.833 58.833 58.711 0.122 19800 2428 1 9 . 1 1 71 71 TRP CB C 71 30.133 30.133 29.629 0.504 19800 2429 1 9 . 1 1 72 72 ILE N N 72 113.422 113.422 118.238 -4.816 19800 2430 1 9 . 1 1 72 72 ILE HA H 72 4.452 4.452 3.829 0.623 19800 2431 1 9 . 1 1 72 72 ILE C C 72 178.490 178.490 177.866 0.624 19800 2432 1 9 . 1 1 72 72 ILE CA C 72 61.563 61.563 61.946 -0.383 19800 2433 1 9 . 1 1 72 72 ILE CB C 72 37.491 37.491 36.860 0.631 19800 2434 1 9 . 1 1 73 73 LYS N N 73 120.911 120.911 120.044 0.867 19800 2435 1 9 . 1 1 73 73 LYS HA H 73 4.177 4.177 4.055 0.122 19800 2436 1 9 . 1 1 73 73 LYS C C 73 179.460 179.460 178.009 1.451 19800 2437 1 9 . 1 1 73 73 LYS CA C 73 58.310 58.310 58.859 -0.549 19800 2438 1 9 . 1 1 73 73 LYS CB C 73 32.247 32.247 32.123 0.124 19800 2439 1 9 . 1 1 74 74 THR N N 74 110.017 110.017 114.012 -3.995 19800 2440 1 9 . 1 1 74 74 THR HA H 74 4.140 4.140 4.158 -0.018 19800 2441 1 9 . 1 1 74 74 THR C C 74 174.574 174.574 175.463 -0.889 19800 2442 1 9 . 1 1 74 74 THR CA C 74 63.019 63.019 64.473 -1.454 19800 2443 1 9 . 1 1 74 74 THR CB C 74 69.394 69.394 69.018 0.376 19800 2444 1 9 . 1 1 75 75 TYR N N 75 122.005 122.005 121.306 0.699 19800 2445 1 9 . 1 1 75 75 TYR HA H 75 4.468 4.468 4.378 0.090 19800 2446 1 9 . 1 1 75 75 TYR C C 75 174.634 174.634 175.702 -1.068 19800 2447 1 9 . 1 1 75 75 TYR CA C 75 58.964 58.964 59.891 -0.927 19800 2448 1 9 . 1 1 75 75 TYR CB C 75 38.945 38.945 39.346 -0.401 19800 2449 1 10 . 1 1 20 20 ASP N N 20 121.855 121.855 122.973 -1.118 19800 2450 1 10 . 1 1 20 20 ASP HA H 20 4.824 4.824 4.197 0.626 19800 2451 1 10 . 1 1 20 20 ASP C C 20 176.378 176.378 175.745 0.633 19800 2452 1 10 . 1 1 20 20 ASP CA C 20 54.063 54.063 57.474 -3.411 19800 2453 1 10 . 1 1 20 20 ASP CB C 20 41.753 41.753 40.238 1.515 19800 2454 1 10 . 1 1 21 21 LYS N N 21 121.556 121.556 121.480 0.076 19800 2455 1 10 . 1 1 21 21 LYS HA H 21 4.493 4.493 4.179 0.314 19800 2456 1 10 . 1 1 21 21 LYS C C 21 175.887 175.887 176.384 -0.497 19800 2457 1 10 . 1 1 21 21 LYS CA C 21 54.395 54.395 56.309 -1.914 19800 2458 1 10 . 1 1 21 21 LYS CB C 21 35.006 35.006 32.341 2.665 19800 2459 1 10 . 1 1 22 22 ASP N N 22 123.097 123.097 122.860 0.237 19800 2460 1 10 . 1 1 22 22 ASP HA H 22 4.558 4.558 4.482 0.076 19800 2461 1 10 . 1 1 22 22 ASP C C 22 175.402 175.402 175.484 -0.082 19800 2462 1 10 . 1 1 22 22 ASP CA C 22 55.514 55.514 54.315 1.199 19800 2463 1 10 . 1 1 22 22 ASP CB C 22 40.854 40.854 40.964 -0.110 19800 2464 1 10 . 1 1 23 23 LEU N N 23 126.265 126.265 125.274 0.991 19800 2465 1 10 . 1 1 23 23 LEU HA H 23 4.680 4.680 4.502 0.178 19800 2466 1 10 . 1 1 23 23 LEU C C 23 176.338 176.338 175.287 1.051 19800 2467 1 10 . 1 1 23 23 LEU CA C 23 56.204 56.204 55.717 0.487 19800 2468 1 10 . 1 1 23 23 LEU CB C 23 45.211 45.211 43.381 1.830 19800 2469 1 10 . 1 1 24 24 LEU N N 24 114.484 114.484 117.450 -2.966 19800 2470 1 10 . 1 1 24 24 LEU HA H 24 4.789 4.789 4.652 0.137 19800 2471 1 10 . 1 1 24 24 LEU C C 24 174.976 174.976 174.552 0.424 19800 2472 1 10 . 1 1 24 24 LEU CA C 24 53.674 53.674 53.646 0.028 19800 2473 1 10 . 1 1 24 24 LEU CB C 24 49.345 49.345 45.982 3.363 19800 2474 1 10 . 1 1 25 25 LYS N N 25 118.529 118.529 120.709 -2.180 19800 2475 1 10 . 1 1 25 25 LYS HA H 25 4.994 4.994 4.404 0.590 19800 2476 1 10 . 1 1 25 25 LYS C C 25 176.242 176.242 176.297 -0.055 19800 2477 1 10 . 1 1 25 25 LYS CA C 25 55.210 55.210 55.701 -0.491 19800 2478 1 10 . 1 1 25 25 LYS CB C 25 35.992 35.992 33.817 2.175 19800 2479 1 10 . 1 1 26 26 GLY N N 26 107.756 107.756 111.465 -3.709 19800 2480 1 10 . 1 1 26 26 GLY C C 26 176.034 176.034 173.900 2.134 19800 2481 1 10 . 1 1 26 26 GLY CA C 26 46.394 46.394 45.502 0.892 19800 2482 1 10 . 1 1 27 27 LEU N N 27 120.147 120.147 120.763 -0.616 19800 2483 1 10 . 1 1 27 27 LEU HA H 27 4.601 4.601 4.743 -0.142 19800 2484 1 10 . 1 1 27 27 LEU C C 27 179.874 179.874 175.891 3.983 19800 2485 1 10 . 1 1 27 27 LEU CA C 27 54.325 54.325 53.956 0.369 19800 2486 1 10 . 1 1 27 27 LEU CB C 27 43.622 43.622 43.805 -0.183 19800 2487 1 10 . 1 1 28 28 ASP N N 28 119.966 119.966 122.122 -2.156 19800 2488 1 10 . 1 1 28 28 ASP HA H 28 5.096 5.096 4.881 0.215 19800 2489 1 10 . 1 1 28 28 ASP C C 28 177.406 177.406 177.487 -0.081 19800 2490 1 10 . 1 1 28 28 ASP CA C 28 52.835 52.835 53.842 -1.006 19800 2491 1 10 . 1 1 28 28 ASP CB C 28 41.180 41.180 44.035 -2.855 19800 2492 1 10 . 1 1 29 29 GLN N N 29 118.219 118.219 119.947 -1.728 19800 2493 1 10 . 1 1 29 29 GLN HA H 29 2.969 2.969 3.834 -0.865 19800 2494 1 10 . 1 1 29 29 GLN C C 29 178.379 178.379 177.591 0.788 19800 2495 1 10 . 1 1 29 29 GLN CA C 29 59.978 59.978 59.875 0.103 19800 2496 1 10 . 1 1 29 29 GLN CB C 29 28.897 28.897 28.135 0.762 19800 2497 1 10 . 1 1 30 30 GLU N N 30 118.429 118.429 115.506 2.923 19800 2498 1 10 . 1 1 30 30 GLU HA H 30 3.986 3.986 4.032 -0.046 19800 2499 1 10 . 1 1 30 30 GLU C C 30 182.812 182.812 178.191 4.621 19800 2500 1 10 . 1 1 30 30 GLU CA C 30 59.730 59.730 58.897 0.833 19800 2501 1 10 . 1 1 30 30 GLU CB C 30 28.936 28.936 28.661 0.275 19800 2502 1 10 . 1 1 31 31 GLN N N 31 120.672 120.672 118.763 1.909 19800 2503 1 10 . 1 1 31 31 GLN HA H 31 4.068 4.068 4.307 -0.239 19800 2504 1 10 . 1 1 31 31 GLN C C 31 180.864 180.864 178.357 2.507 19800 2505 1 10 . 1 1 31 31 GLN CA C 31 58.612 58.612 57.707 0.905 19800 2506 1 10 . 1 1 31 31 GLN CB C 31 29.844 29.844 29.382 0.462 19800 2507 1 10 . 1 1 32 32 ALA N N 32 120.200 120.200 122.898 -2.698 19800 2508 1 10 . 1 1 32 32 ALA HA H 32 3.771 3.771 4.043 -0.272 19800 2509 1 10 . 1 1 32 32 ALA C C 32 180.339 180.339 178.971 1.368 19800 2510 1 10 . 1 1 32 32 ALA CA C 32 55.122 55.122 54.458 0.664 19800 2511 1 10 . 1 1 32 32 ALA CB C 32 17.289 17.289 18.283 -0.994 19800 2512 1 10 . 1 1 33 33 ASN N N 33 115.507 115.507 116.652 -1.145 19800 2513 1 10 . 1 1 33 33 ASN HA H 33 4.292 4.292 4.390 -0.098 19800 2514 1 10 . 1 1 33 33 ASN C C 33 180.713 180.713 177.645 3.068 19800 2515 1 10 . 1 1 33 33 ASN CA C 33 55.479 55.479 56.455 -0.976 19800 2516 1 10 . 1 1 33 33 ASN CB C 33 37.104 37.104 38.580 -1.476 19800 2517 1 10 . 1 1 34 34 GLU N N 34 122.826 122.826 118.522 4.304 19800 2518 1 10 . 1 1 34 34 GLU HA H 34 4.083 4.083 4.096 -0.013 19800 2519 1 10 . 1 1 34 34 GLU C C 34 180.367 180.367 178.067 2.300 19800 2520 1 10 . 1 1 34 34 GLU CA C 34 59.486 59.486 58.491 0.995 19800 2521 1 10 . 1 1 34 34 GLU CB C 34 29.370 29.370 29.918 -0.548 19800 2522 1 10 . 1 1 35 35 VAL N N 35 119.909 119.909 120.179 -0.270 19800 2523 1 10 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.186 0.187 19800 2524 1 10 . 1 1 35 35 VAL C C 35 179.502 179.502 177.770 1.732 19800 2525 1 10 . 1 1 35 35 VAL CA C 35 66.809 66.809 66.300 0.508 19800 2526 1 10 . 1 1 35 35 VAL CB C 35 31.000 31.000 31.758 -0.758 19800 2527 1 10 . 1 1 36 36 ILE N N 36 118.626 118.626 118.614 0.012 19800 2528 1 10 . 1 1 36 36 ILE HA H 36 3.514 3.514 3.832 -0.318 19800 2529 1 10 . 1 1 36 36 ILE C C 36 180.436 180.436 176.619 3.817 19800 2530 1 10 . 1 1 36 36 ILE CA C 36 64.355 64.355 63.230 1.125 19800 2531 1 10 . 1 1 36 36 ILE CB C 36 36.534 36.534 37.886 -1.353 19800 2532 1 10 . 1 1 37 37 ALA N N 37 122.361 122.361 123.909 -1.548 19800 2533 1 10 . 1 1 37 37 ALA HA H 37 4.145 4.145 4.017 0.128 19800 2534 1 10 . 1 1 37 37 ALA C C 37 183.902 183.902 179.177 4.725 19800 2535 1 10 . 1 1 37 37 ALA CA C 37 55.433 55.433 55.255 0.177 19800 2536 1 10 . 1 1 37 37 ALA CB C 37 17.807 17.807 17.860 -0.053 19800 2537 1 10 . 1 1 38 38 VAL N N 38 120.987 120.987 118.188 2.799 19800 2538 1 10 . 1 1 38 38 VAL HA H 38 3.630 3.630 3.734 -0.104 19800 2539 1 10 . 1 1 38 38 VAL C C 38 180.529 180.529 177.450 3.079 19800 2540 1 10 . 1 1 38 38 VAL CA C 38 66.453 66.453 64.903 1.551 19800 2541 1 10 . 1 1 38 38 VAL CB C 38 31.763 31.763 32.032 -0.269 19800 2542 1 10 . 1 1 39 39 LEU N N 39 119.408 119.408 120.822 -1.414 19800 2543 1 10 . 1 1 39 39 LEU HA H 39 3.929 3.929 4.033 -0.104 19800 2544 1 10 . 1 1 39 39 LEU C C 39 183.063 183.063 178.523 4.540 19800 2545 1 10 . 1 1 39 39 LEU CA C 39 58.544 58.544 58.272 0.272 19800 2546 1 10 . 1 1 39 39 LEU CB C 39 39.409 39.409 41.689 -2.280 19800 2547 1 10 . 1 1 40 40 GLN N N 40 121.514 121.514 119.093 2.421 19800 2548 1 10 . 1 1 40 40 GLN HA H 40 3.928 3.928 3.978 -0.050 19800 2549 1 10 . 1 1 40 40 GLN C C 40 183.366 183.366 178.423 4.943 19800 2550 1 10 . 1 1 40 40 GLN CA C 40 59.324 59.324 58.662 0.662 19800 2551 1 10 . 1 1 40 40 GLN CB C 40 28.254 28.254 28.755 -0.500 19800 2552 1 10 . 1 1 41 41 MET N N 41 119.672 119.672 117.614 2.058 19800 2553 1 10 . 1 1 41 41 MET HA H 41 4.032 4.032 4.140 -0.108 19800 2554 1 10 . 1 1 41 41 MET C C 41 177.125 177.125 177.424 -0.299 19800 2555 1 10 . 1 1 41 41 MET CA C 41 57.763 57.763 56.978 0.785 19800 2556 1 10 . 1 1 41 41 MET CB C 41 31.579 31.579 32.504 -0.925 19800 2557 1 10 . 1 1 42 42 HIS N N 42 115.329 115.329 114.566 0.763 19800 2558 1 10 . 1 1 42 42 HIS HA H 42 4.371 4.371 4.472 -0.101 19800 2559 1 10 . 1 1 42 42 HIS C C 42 171.216 171.216 174.388 -3.172 19800 2560 1 10 . 1 1 42 42 HIS CA C 42 54.601 54.601 56.652 -2.051 19800 2561 1 10 . 1 1 42 42 HIS CB C 42 27.399 27.399 29.719 -2.320 19800 2562 1 10 . 1 1 43 43 ASN N N 43 112.995 112.995 115.140 -2.145 19800 2563 1 10 . 1 1 43 43 ASN HA H 43 4.293 4.293 4.417 -0.124 19800 2564 1 10 . 1 1 43 43 ASN C C 43 173.011 173.011 174.678 -1.667 19800 2565 1 10 . 1 1 43 43 ASN CA C 43 54.571 54.571 53.989 0.582 19800 2566 1 10 . 1 1 43 43 ASN CB C 43 36.981 36.981 37.404 -0.423 19800 2567 1 10 . 1 1 44 44 ILE N N 44 120.077 120.077 118.627 1.450 19800 2568 1 10 . 1 1 44 44 ILE HA H 44 4.225 4.225 4.260 -0.035 19800 2569 1 10 . 1 1 44 44 ILE C C 44 174.630 174.630 175.200 -0.570 19800 2570 1 10 . 1 1 44 44 ILE CA C 44 60.469 60.469 60.622 -0.153 19800 2571 1 10 . 1 1 44 44 ILE CB C 44 39.933 39.933 39.404 0.529 19800 2572 1 10 . 1 1 45 45 GLU N N 45 129.083 129.083 128.751 0.332 19800 2573 1 10 . 1 1 45 45 GLU HA H 45 4.144 4.144 4.211 -0.067 19800 2574 1 10 . 1 1 45 45 GLU C C 45 174.368 174.368 175.150 -0.782 19800 2575 1 10 . 1 1 45 45 GLU CA C 45 56.121 56.121 56.690 -0.569 19800 2576 1 10 . 1 1 45 45 GLU CB C 45 29.979 29.979 29.899 0.080 19800 2577 1 10 . 1 1 46 46 ALA N N 46 127.014 127.014 128.620 -1.606 19800 2578 1 10 . 1 1 46 46 ALA HA H 46 5.087 5.087 4.642 0.445 19800 2579 1 10 . 1 1 46 46 ALA C C 46 175.515 175.515 176.797 -1.282 19800 2580 1 10 . 1 1 46 46 ALA CA C 46 50.426 50.426 51.005 -0.579 19800 2581 1 10 . 1 1 46 46 ALA CB C 46 23.581 23.581 20.255 3.326 19800 2582 1 10 . 1 1 47 47 ASN N N 47 117.293 117.293 121.728 -4.435 19800 2583 1 10 . 1 1 47 47 ASN HA H 47 5.059 5.059 4.982 0.077 19800 2584 1 10 . 1 1 47 47 ASN C C 47 172.618 172.618 173.499 -0.881 19800 2585 1 10 . 1 1 47 47 ASN CA C 47 51.733 51.733 52.372 -0.639 19800 2586 1 10 . 1 1 47 47 ASN CB C 47 41.163 41.163 41.046 0.117 19800 2587 1 10 . 1 1 48 48 LYS N N 48 121.209 121.209 121.807 -0.598 19800 2588 1 10 . 1 1 48 48 LYS HA H 48 5.302 5.302 4.628 0.674 19800 2589 1 10 . 1 1 48 48 LYS C C 48 175.186 175.186 175.840 -0.654 19800 2590 1 10 . 1 1 48 48 LYS CA C 48 54.377 54.377 55.050 -0.673 19800 2591 1 10 . 1 1 48 48 LYS CB C 48 34.817 34.817 34.310 0.507 19800 2592 1 10 . 1 1 49 49 ILE N N 49 127.508 127.508 122.526 4.982 19800 2593 1 10 . 1 1 49 49 ILE HA H 49 4.335 4.335 4.524 -0.189 19800 2594 1 10 . 1 1 49 49 ILE C C 49 175.247 175.247 173.751 1.496 19800 2595 1 10 . 1 1 49 49 ILE CA C 49 59.683 59.683 60.410 -0.728 19800 2596 1 10 . 1 1 49 49 ILE CB C 49 39.941 39.941 41.160 -1.219 19800 2597 1 10 . 1 1 50 50 ASP N N 50 127.775 127.775 126.257 1.518 19800 2598 1 10 . 1 1 50 50 ASP HA H 50 3.854 3.854 5.264 -1.410 19800 2599 1 10 . 1 1 50 50 ASP C C 50 177.327 177.327 175.465 1.862 19800 2600 1 10 . 1 1 50 50 ASP CA C 50 53.639 53.639 53.497 0.142 19800 2601 1 10 . 1 1 50 50 ASP CB C 50 40.857 40.857 42.833 -1.976 19800 2602 1 10 . 1 1 51 51 SER N N 51 123.948 123.948 120.288 3.660 19800 2603 1 10 . 1 1 51 51 SER HA H 51 4.660 4.660 4.682 -0.022 19800 2604 1 10 . 1 1 51 51 SER C C 51 177.258 177.258 174.956 2.302 19800 2605 1 10 . 1 1 51 51 SER CA C 51 57.111 57.111 57.291 -0.180 19800 2606 1 10 . 1 1 51 51 SER CB C 51 63.271 63.271 66.427 -3.156 19800 2607 1 10 . 1 1 52 52 GLY N N 52 112.626 112.626 111.416 1.210 19800 2608 1 10 . 1 1 52 52 GLY C C 52 178.261 178.261 174.953 3.308 19800 2609 1 10 . 1 1 52 52 GLY CA C 52 46.450 46.450 47.326 -0.876 19800 2610 1 10 . 1 1 53 53 LYS HA H 53 4.119 4.119 4.190 -0.071 19800 2611 1 10 . 1 1 53 53 LYS C C 53 178.526 178.526 176.386 2.140 19800 2612 1 10 . 1 1 53 53 LYS CA C 53 58.349 58.349 57.187 1.162 19800 2613 1 10 . 1 1 53 53 LYS CB C 53 32.038 32.038 31.811 0.227 19800 2614 1 10 . 1 1 54 54 LEU N N 54 117.133 117.133 117.643 -0.510 19800 2615 1 10 . 1 1 54 54 LEU HA H 54 4.309 4.309 4.531 -0.222 19800 2616 1 10 . 1 1 54 54 LEU C C 54 178.832 178.832 177.563 1.269 19800 2617 1 10 . 1 1 54 54 LEU CA C 54 54.958 54.958 55.393 -0.435 19800 2618 1 10 . 1 1 54 54 LEU CB C 54 41.155 41.155 44.455 -3.300 19800 2619 1 10 . 1 1 55 55 GLY N N 55 106.946 106.946 108.314 -1.368 19800 2620 1 10 . 1 1 55 55 GLY C C 55 172.511 172.511 172.554 -0.043 19800 2621 1 10 . 1 1 55 55 GLY CA C 55 44.519 44.519 45.416 -0.897 19800 2622 1 10 . 1 1 56 56 TYR N N 56 119.500 119.500 125.307 -5.807 19800 2623 1 10 . 1 1 56 56 TYR HA H 56 5.267 5.267 4.852 0.415 19800 2624 1 10 . 1 1 56 56 TYR C C 56 177.412 177.412 173.430 3.982 19800 2625 1 10 . 1 1 56 56 TYR CA C 56 57.986 57.986 57.496 0.490 19800 2626 1 10 . 1 1 56 56 TYR CB C 56 40.838 40.838 41.104 -0.266 19800 2627 1 10 . 1 1 57 57 SER N N 57 114.460 114.460 118.862 -4.402 19800 2628 1 10 . 1 1 57 57 SER HA H 57 5.386 5.386 4.810 0.576 19800 2629 1 10 . 1 1 57 57 SER C C 57 171.818 171.818 172.349 -0.531 19800 2630 1 10 . 1 1 57 57 SER CA C 57 55.817 55.817 56.709 -0.892 19800 2631 1 10 . 1 1 57 57 SER CB C 57 65.566 65.566 67.105 -1.539 19800 2632 1 10 . 1 1 58 58 ILE N N 58 121.240 121.240 119.573 1.667 19800 2633 1 10 . 1 1 58 58 ILE HA H 58 5.538 5.538 4.788 0.750 19800 2634 1 10 . 1 1 58 58 ILE C C 58 176.822 176.822 175.420 1.402 19800 2635 1 10 . 1 1 58 58 ILE CA C 58 57.040 57.040 59.223 -2.183 19800 2636 1 10 . 1 1 58 58 ILE CB C 58 39.157 39.157 39.989 -0.832 19800 2637 1 10 . 1 1 59 59 THR N N 59 118.505 118.505 116.859 1.646 19800 2638 1 10 . 1 1 59 59 THR HA H 59 5.435 5.435 4.739 0.696 19800 2639 1 10 . 1 1 59 59 THR C C 59 172.703 172.703 172.661 0.042 19800 2640 1 10 . 1 1 59 59 THR CA C 59 58.889 58.889 60.195 -1.306 19800 2641 1 10 . 1 1 59 59 THR CB C 59 71.574 71.574 71.004 0.570 19800 2642 1 10 . 1 1 60 60 VAL N N 60 111.299 111.299 117.883 -6.584 19800 2643 1 10 . 1 1 60 60 VAL HA H 60 4.787 4.787 4.830 -0.043 19800 2644 1 10 . 1 1 60 60 VAL C C 60 173.802 173.802 174.209 -0.407 19800 2645 1 10 . 1 1 60 60 VAL CA C 60 58.594 58.594 58.050 0.544 19800 2646 1 10 . 1 1 60 60 VAL CB C 60 36.560 36.560 35.319 1.240 19800 2647 1 10 . 1 1 61 61 ALA N N 61 125.688 125.688 122.463 3.225 19800 2648 1 10 . 1 1 61 61 ALA HA H 61 4.678 4.678 4.237 0.441 19800 2649 1 10 . 1 1 61 61 ALA C C 61 182.244 182.244 178.063 4.181 19800 2650 1 10 . 1 1 61 61 ALA CA C 61 52.304 52.304 52.237 0.067 19800 2651 1 10 . 1 1 61 61 ALA CB C 61 19.742 19.742 19.585 0.157 19800 2652 1 10 . 1 1 62 62 GLU N N 62 122.612 122.612 121.267 1.345 19800 2653 1 10 . 1 1 62 62 GLU HA H 62 3.970 3.970 4.025 -0.055 19800 2654 1 10 . 1 1 62 62 GLU C C 62 175.922 175.922 177.474 -1.552 19800 2655 1 10 . 1 1 62 62 GLU CA C 62 62.328 62.328 60.625 1.703 19800 2656 1 10 . 1 1 62 62 GLU CB C 62 27.421 27.421 27.941 -0.520 19800 2657 1 10 . 1 1 63 63 PRO HA H 63 4.486 4.486 4.321 0.165 19800 2658 1 10 . 1 1 63 63 PRO C C 63 178.721 178.721 177.735 0.986 19800 2659 1 10 . 1 1 63 63 PRO CA C 63 65.517 65.517 65.279 0.238 19800 2660 1 10 . 1 1 63 63 PRO CB C 63 31.124 31.124 31.344 -0.220 19800 2661 1 10 . 1 1 64 64 ASP N N 64 115.002 115.002 118.354 -3.352 19800 2662 1 10 . 1 1 64 64 ASP HA H 64 4.994 4.994 4.625 0.369 19800 2663 1 10 . 1 1 64 64 ASP C C 64 176.565 176.565 177.026 -0.461 19800 2664 1 10 . 1 1 64 64 ASP CA C 64 54.701 54.701 55.697 -0.996 19800 2665 1 10 . 1 1 64 64 ASP CB C 64 43.082 43.082 40.281 2.801 19800 2666 1 10 . 1 1 65 65 PHE N N 65 122.010 122.010 120.986 1.024 19800 2667 1 10 . 1 1 65 65 PHE HA H 65 3.926 3.926 4.215 -0.289 19800 2668 1 10 . 1 1 65 65 PHE C C 65 175.918 175.918 176.127 -0.209 19800 2669 1 10 . 1 1 65 65 PHE CA C 65 63.611 63.611 61.251 2.360 19800 2670 1 10 . 1 1 65 65 PHE CB C 65 40.354 40.354 39.297 1.057 19800 2671 1 10 . 1 1 66 66 THR N N 66 112.195 112.195 114.787 -2.592 19800 2672 1 10 . 1 1 66 66 THR HA H 66 3.660 3.660 3.799 -0.139 19800 2673 1 10 . 1 1 66 66 THR C C 66 178.106 178.106 176.078 2.028 19800 2674 1 10 . 1 1 66 66 THR CA C 66 66.742 66.742 66.538 0.204 19800 2675 1 10 . 1 1 66 66 THR CB C 66 68.412 68.412 68.317 0.095 19800 2676 1 10 . 1 1 67 67 ALA N N 67 124.955 124.955 122.716 2.239 19800 2677 1 10 . 1 1 67 67 ALA HA H 67 4.044 4.044 3.616 0.428 19800 2678 1 10 . 1 1 67 67 ALA C C 67 180.268 180.268 178.514 1.754 19800 2679 1 10 . 1 1 67 67 ALA CA C 67 54.618 54.618 54.057 0.561 19800 2680 1 10 . 1 1 67 67 ALA CB C 67 18.408 18.408 17.810 0.598 19800 2681 1 10 . 1 1 68 68 ALA N N 68 119.593 119.593 122.183 -2.590 19800 2682 1 10 . 1 1 68 68 ALA HA H 68 3.966 3.966 3.866 0.100 19800 2683 1 10 . 1 1 68 68 ALA C C 68 181.033 181.033 178.994 2.039 19800 2684 1 10 . 1 1 68 68 ALA CA C 68 55.623 55.623 55.193 0.430 19800 2685 1 10 . 1 1 68 68 ALA CB C 68 19.802 19.802 18.178 1.624 19800 2686 1 10 . 1 1 69 69 VAL N N 69 115.582 115.582 116.656 -1.074 19800 2687 1 10 . 1 1 69 69 VAL HA H 69 3.257 3.257 3.555 -0.298 19800 2688 1 10 . 1 1 69 69 VAL C C 69 179.000 179.000 177.926 1.074 19800 2689 1 10 . 1 1 69 69 VAL CA C 69 66.077 66.077 65.656 0.421 19800 2690 1 10 . 1 1 69 69 VAL CB C 69 31.684 31.684 30.699 0.985 19800 2691 1 10 . 1 1 70 70 TYR N N 70 118.722 118.722 120.579 -1.857 19800 2692 1 10 . 1 1 70 70 TYR HA H 70 3.805 3.805 3.976 -0.171 19800 2693 1 10 . 1 1 70 70 TYR C C 70 180.084 180.084 176.991 3.093 19800 2694 1 10 . 1 1 70 70 TYR CA C 70 61.459 61.459 61.534 -0.075 19800 2695 1 10 . 1 1 70 70 TYR CB C 70 37.712 37.712 38.328 -0.616 19800 2696 1 10 . 1 1 71 71 TRP N N 71 117.180 117.180 117.076 0.104 19800 2697 1 10 . 1 1 71 71 TRP HA H 71 4.482 4.482 4.512 -0.030 19800 2698 1 10 . 1 1 71 71 TRP C C 71 180.643 180.643 178.507 2.136 19800 2699 1 10 . 1 1 71 71 TRP CA C 71 58.833 58.833 58.612 0.221 19800 2700 1 10 . 1 1 71 71 TRP CB C 71 30.133 30.133 30.095 0.038 19800 2701 1 10 . 1 1 72 72 ILE N N 72 113.422 113.422 117.291 -3.869 19800 2702 1 10 . 1 1 72 72 ILE HA H 72 4.452 4.452 4.164 0.288 19800 2703 1 10 . 1 1 72 72 ILE C C 72 178.490 178.490 178.425 0.065 19800 2704 1 10 . 1 1 72 72 ILE CA C 72 61.563 61.563 61.563 0.000 19800 2705 1 10 . 1 1 72 72 ILE CB C 72 37.491 37.491 36.193 1.298 19800 2706 1 10 . 1 1 73 73 LYS N N 73 120.911 120.911 121.585 -0.674 19800 2707 1 10 . 1 1 73 73 LYS HA H 73 4.177 4.177 4.099 0.078 19800 2708 1 10 . 1 1 73 73 LYS C C 73 179.460 179.460 177.782 1.678 19800 2709 1 10 . 1 1 73 73 LYS CA C 73 58.310 58.310 58.838 -0.528 19800 2710 1 10 . 1 1 73 73 LYS CB C 73 32.247 32.247 32.120 0.127 19800 2711 1 10 . 1 1 74 74 THR N N 74 110.017 110.017 109.654 0.363 19800 2712 1 10 . 1 1 74 74 THR HA H 74 4.140 4.140 4.191 -0.051 19800 2713 1 10 . 1 1 74 74 THR C C 74 174.574 174.574 175.037 -0.463 19800 2714 1 10 . 1 1 74 74 THR CA C 74 63.019 63.019 63.089 -0.070 19800 2715 1 10 . 1 1 74 74 THR CB C 74 69.394 69.394 69.561 -0.168 19800 2716 1 10 . 1 1 75 75 TYR N N 75 122.005 122.005 122.974 -0.969 19800 2717 1 10 . 1 1 75 75 TYR HA H 75 4.468 4.468 4.591 -0.123 19800 2718 1 10 . 1 1 75 75 TYR C C 75 174.634 174.634 174.678 -0.044 19800 2719 1 10 . 1 1 75 75 TYR CA C 75 58.964 58.964 58.463 0.501 19800 2720 1 10 . 1 1 75 75 TYR CB C 75 38.945 38.945 38.466 0.479 19800 2721 1 11 . 1 1 20 20 ASP N N 20 121.855 121.855 121.680 0.175 19800 2722 1 11 . 1 1 20 20 ASP HA H 20 4.824 4.824 4.964 -0.140 19800 2723 1 11 . 1 1 20 20 ASP C C 20 176.378 176.378 174.891 1.487 19800 2724 1 11 . 1 1 20 20 ASP CA C 20 54.063 54.063 53.792 0.271 19800 2725 1 11 . 1 1 20 20 ASP CB C 20 41.753 41.753 42.258 -0.506 19800 2726 1 11 . 1 1 21 21 LYS N N 21 121.556 121.556 123.632 -2.076 19800 2727 1 11 . 1 1 21 21 LYS HA H 21 4.493 4.493 4.639 -0.146 19800 2728 1 11 . 1 1 21 21 LYS C C 21 175.887 175.887 175.267 0.620 19800 2729 1 11 . 1 1 21 21 LYS CA C 21 54.395 54.395 55.011 -0.616 19800 2730 1 11 . 1 1 21 21 LYS CB C 21 35.006 35.006 35.343 -0.337 19800 2731 1 11 . 1 1 22 22 ASP N N 22 123.097 123.097 124.053 -0.956 19800 2732 1 11 . 1 1 22 22 ASP HA H 22 4.558 4.558 4.533 0.025 19800 2733 1 11 . 1 1 22 22 ASP C C 22 175.402 175.402 175.245 0.157 19800 2734 1 11 . 1 1 22 22 ASP CA C 22 55.514 55.514 54.217 1.297 19800 2735 1 11 . 1 1 22 22 ASP CB C 22 40.854 40.854 40.595 0.259 19800 2736 1 11 . 1 1 23 23 LEU N N 23 126.265 126.265 124.765 1.500 19800 2737 1 11 . 1 1 23 23 LEU HA H 23 4.680 4.680 4.398 0.282 19800 2738 1 11 . 1 1 23 23 LEU C C 23 176.338 176.338 176.031 0.307 19800 2739 1 11 . 1 1 23 23 LEU CA C 23 56.204 56.204 55.718 0.486 19800 2740 1 11 . 1 1 23 23 LEU CB C 23 45.211 45.211 43.204 2.007 19800 2741 1 11 . 1 1 24 24 LEU N N 24 114.484 114.484 117.041 -2.557 19800 2742 1 11 . 1 1 24 24 LEU HA H 24 4.789 4.789 4.513 0.276 19800 2743 1 11 . 1 1 24 24 LEU C C 24 174.976 174.976 175.786 -0.810 19800 2744 1 11 . 1 1 24 24 LEU CA C 24 53.674 53.674 53.723 -0.049 19800 2745 1 11 . 1 1 24 24 LEU CB C 24 49.345 49.345 44.898 4.447 19800 2746 1 11 . 1 1 25 25 LYS N N 25 118.529 118.529 119.639 -1.110 19800 2747 1 11 . 1 1 25 25 LYS HA H 25 4.994 4.994 4.576 0.418 19800 2748 1 11 . 1 1 25 25 LYS C C 25 176.242 176.242 176.257 -0.015 19800 2749 1 11 . 1 1 25 25 LYS CA C 25 55.210 55.210 55.735 -0.525 19800 2750 1 11 . 1 1 25 25 LYS CB C 25 35.992 35.992 33.353 2.639 19800 2751 1 11 . 1 1 26 26 GLY N N 26 107.756 107.756 112.674 -4.918 19800 2752 1 11 . 1 1 26 26 GLY C C 26 176.034 176.034 174.036 1.998 19800 2753 1 11 . 1 1 26 26 GLY CA C 26 46.394 46.394 45.384 1.010 19800 2754 1 11 . 1 1 27 27 LEU N N 27 120.147 120.147 122.212 -2.065 19800 2755 1 11 . 1 1 27 27 LEU HA H 27 4.601 4.601 4.325 0.276 19800 2756 1 11 . 1 1 27 27 LEU C C 27 179.874 179.874 175.984 3.890 19800 2757 1 11 . 1 1 27 27 LEU CA C 27 54.325 54.325 55.183 -0.858 19800 2758 1 11 . 1 1 27 27 LEU CB C 27 43.622 43.622 42.550 1.072 19800 2759 1 11 . 1 1 28 28 ASP N N 28 119.966 119.966 120.216 -0.250 19800 2760 1 11 . 1 1 28 28 ASP HA H 28 5.096 5.096 4.805 0.291 19800 2761 1 11 . 1 1 28 28 ASP C C 28 177.406 177.406 177.324 0.082 19800 2762 1 11 . 1 1 28 28 ASP CA C 28 52.835 52.835 53.767 -0.932 19800 2763 1 11 . 1 1 28 28 ASP CB C 28 41.180 41.180 43.490 -2.310 19800 2764 1 11 . 1 1 29 29 GLN N N 29 118.219 118.219 119.673 -1.454 19800 2765 1 11 . 1 1 29 29 GLN HA H 29 2.969 2.969 3.656 -0.687 19800 2766 1 11 . 1 1 29 29 GLN C C 29 178.379 178.379 177.487 0.892 19800 2767 1 11 . 1 1 29 29 GLN CA C 29 59.978 59.978 59.035 0.943 19800 2768 1 11 . 1 1 29 29 GLN CB C 29 28.897 28.897 28.235 0.662 19800 2769 1 11 . 1 1 30 30 GLU N N 30 118.429 118.429 116.529 1.900 19800 2770 1 11 . 1 1 30 30 GLU HA H 30 3.986 3.986 3.948 0.038 19800 2771 1 11 . 1 1 30 30 GLU C C 30 182.812 182.812 178.724 4.088 19800 2772 1 11 . 1 1 30 30 GLU CA C 30 59.730 59.730 58.667 1.063 19800 2773 1 11 . 1 1 30 30 GLU CB C 30 28.936 28.936 28.839 0.097 19800 2774 1 11 . 1 1 31 31 GLN N N 31 120.672 120.672 118.337 2.335 19800 2775 1 11 . 1 1 31 31 GLN HA H 31 4.068 4.068 4.253 -0.185 19800 2776 1 11 . 1 1 31 31 GLN C C 31 180.864 180.864 178.134 2.730 19800 2777 1 11 . 1 1 31 31 GLN CA C 31 58.612 58.612 57.273 1.339 19800 2778 1 11 . 1 1 31 31 GLN CB C 31 29.844 29.844 28.887 0.956 19800 2779 1 11 . 1 1 32 32 ALA N N 32 120.200 120.200 123.457 -3.257 19800 2780 1 11 . 1 1 32 32 ALA HA H 32 3.771 3.771 3.973 -0.202 19800 2781 1 11 . 1 1 32 32 ALA C C 32 180.339 180.339 178.637 1.702 19800 2782 1 11 . 1 1 32 32 ALA CA C 32 55.122 55.122 54.513 0.609 19800 2783 1 11 . 1 1 32 32 ALA CB C 32 17.289 17.289 18.250 -0.961 19800 2784 1 11 . 1 1 33 33 ASN N N 33 115.507 115.507 117.767 -2.260 19800 2785 1 11 . 1 1 33 33 ASN HA H 33 4.292 4.292 4.335 -0.043 19800 2786 1 11 . 1 1 33 33 ASN C C 33 180.713 180.713 177.253 3.460 19800 2787 1 11 . 1 1 33 33 ASN CA C 33 55.479 55.479 56.517 -1.038 19800 2788 1 11 . 1 1 33 33 ASN CB C 33 37.104 37.104 38.147 -1.043 19800 2789 1 11 . 1 1 34 34 GLU N N 34 122.826 122.826 118.359 4.467 19800 2790 1 11 . 1 1 34 34 GLU HA H 34 4.083 4.083 4.088 -0.005 19800 2791 1 11 . 1 1 34 34 GLU C C 34 180.367 180.367 178.088 2.279 19800 2792 1 11 . 1 1 34 34 GLU CA C 34 59.486 59.486 58.544 0.943 19800 2793 1 11 . 1 1 34 34 GLU CB C 34 29.370 29.370 29.100 0.270 19800 2794 1 11 . 1 1 35 35 VAL N N 35 119.909 119.909 118.534 1.375 19800 2795 1 11 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.792 -0.419 19800 2796 1 11 . 1 1 35 35 VAL C C 35 179.502 179.502 177.736 1.766 19800 2797 1 11 . 1 1 35 35 VAL CA C 35 66.809 66.809 65.891 0.918 19800 2798 1 11 . 1 1 35 35 VAL CB C 35 31.000 31.000 32.101 -1.101 19800 2799 1 11 . 1 1 36 36 ILE N N 36 118.626 118.626 120.958 -2.332 19800 2800 1 11 . 1 1 36 36 ILE HA H 36 3.514 3.514 3.668 -0.154 19800 2801 1 11 . 1 1 36 36 ILE C C 36 180.436 180.436 176.817 3.619 19800 2802 1 11 . 1 1 36 36 ILE CA C 36 64.355 64.355 64.146 0.209 19800 2803 1 11 . 1 1 36 36 ILE CB C 36 36.534 36.534 37.740 -1.206 19800 2804 1 11 . 1 1 37 37 ALA N N 37 122.361 122.361 123.047 -0.686 19800 2805 1 11 . 1 1 37 37 ALA HA H 37 4.145 4.145 3.978 0.167 19800 2806 1 11 . 1 1 37 37 ALA C C 37 183.902 183.902 179.220 4.682 19800 2807 1 11 . 1 1 37 37 ALA CA C 37 55.433 55.433 55.425 0.008 19800 2808 1 11 . 1 1 37 37 ALA CB C 37 17.807 17.807 18.011 -0.204 19800 2809 1 11 . 1 1 38 38 VAL N N 38 120.987 120.987 118.334 2.653 19800 2810 1 11 . 1 1 38 38 VAL HA H 38 3.630 3.630 3.833 -0.203 19800 2811 1 11 . 1 1 38 38 VAL C C 38 180.529 180.529 177.390 3.139 19800 2812 1 11 . 1 1 38 38 VAL CA C 38 66.453 66.453 64.830 1.623 19800 2813 1 11 . 1 1 38 38 VAL CB C 38 31.763 31.763 32.231 -0.468 19800 2814 1 11 . 1 1 39 39 LEU N N 39 119.408 119.408 120.824 -1.416 19800 2815 1 11 . 1 1 39 39 LEU HA H 39 3.929 3.929 4.075 -0.146 19800 2816 1 11 . 1 1 39 39 LEU C C 39 183.063 183.063 178.881 4.182 19800 2817 1 11 . 1 1 39 39 LEU CA C 39 58.544 58.544 57.444 1.100 19800 2818 1 11 . 1 1 39 39 LEU CB C 39 39.409 39.409 40.424 -1.015 19800 2819 1 11 . 1 1 40 40 GLN N N 40 121.514 121.514 119.537 1.977 19800 2820 1 11 . 1 1 40 40 GLN HA H 40 3.928 3.928 4.014 -0.086 19800 2821 1 11 . 1 1 40 40 GLN C C 40 183.366 183.366 179.245 4.121 19800 2822 1 11 . 1 1 40 40 GLN CA C 40 59.324 59.324 58.816 0.508 19800 2823 1 11 . 1 1 40 40 GLN CB C 40 28.254 28.254 28.660 -0.406 19800 2824 1 11 . 1 1 41 41 MET N N 41 119.672 119.672 117.688 1.984 19800 2825 1 11 . 1 1 41 41 MET HA H 41 4.032 4.032 4.151 -0.119 19800 2826 1 11 . 1 1 41 41 MET C C 41 177.125 177.125 177.018 0.107 19800 2827 1 11 . 1 1 41 41 MET CA C 41 57.763 57.763 58.221 -0.458 19800 2828 1 11 . 1 1 41 41 MET CB C 41 31.579 31.579 32.678 -1.099 19800 2829 1 11 . 1 1 42 42 HIS N N 42 115.329 115.329 114.106 1.223 19800 2830 1 11 . 1 1 42 42 HIS HA H 42 4.371 4.371 4.423 -0.052 19800 2831 1 11 . 1 1 42 42 HIS C C 42 171.216 171.216 174.361 -3.145 19800 2832 1 11 . 1 1 42 42 HIS CA C 42 54.601 54.601 56.502 -1.901 19800 2833 1 11 . 1 1 42 42 HIS CB C 42 27.399 27.399 29.712 -2.313 19800 2834 1 11 . 1 1 43 43 ASN N N 43 112.995 112.995 114.536 -1.541 19800 2835 1 11 . 1 1 43 43 ASN HA H 43 4.293 4.293 4.339 -0.046 19800 2836 1 11 . 1 1 43 43 ASN C C 43 173.011 173.011 174.422 -1.411 19800 2837 1 11 . 1 1 43 43 ASN CA C 43 54.571 54.571 54.547 0.024 19800 2838 1 11 . 1 1 43 43 ASN CB C 43 36.981 36.981 37.227 -0.246 19800 2839 1 11 . 1 1 44 44 ILE N N 44 120.077 120.077 119.109 0.968 19800 2840 1 11 . 1 1 44 44 ILE HA H 44 4.225 4.225 4.269 -0.044 19800 2841 1 11 . 1 1 44 44 ILE C C 44 174.630 174.630 174.948 -0.318 19800 2842 1 11 . 1 1 44 44 ILE CA C 44 60.469 60.469 60.099 0.371 19800 2843 1 11 . 1 1 44 44 ILE CB C 44 39.933 39.933 39.782 0.150 19800 2844 1 11 . 1 1 45 45 GLU N N 45 129.083 129.083 128.484 0.599 19800 2845 1 11 . 1 1 45 45 GLU HA H 45 4.144 4.144 4.152 -0.008 19800 2846 1 11 . 1 1 45 45 GLU C C 45 174.368 174.368 174.929 -0.561 19800 2847 1 11 . 1 1 45 45 GLU CA C 45 56.121 56.121 56.911 -0.790 19800 2848 1 11 . 1 1 45 45 GLU CB C 45 29.979 29.979 29.491 0.488 19800 2849 1 11 . 1 1 46 46 ALA N N 46 127.014 127.014 129.735 -2.721 19800 2850 1 11 . 1 1 46 46 ALA HA H 46 5.087 5.087 4.672 0.415 19800 2851 1 11 . 1 1 46 46 ALA C C 46 175.515 175.515 175.999 -0.484 19800 2852 1 11 . 1 1 46 46 ALA CA C 46 50.426 50.426 50.766 -0.340 19800 2853 1 11 . 1 1 46 46 ALA CB C 46 23.581 23.581 20.239 3.342 19800 2854 1 11 . 1 1 47 47 ASN N N 47 117.293 117.293 122.936 -5.643 19800 2855 1 11 . 1 1 47 47 ASN HA H 47 5.059 5.059 4.959 0.100 19800 2856 1 11 . 1 1 47 47 ASN C C 47 172.618 172.618 174.228 -1.610 19800 2857 1 11 . 1 1 47 47 ASN CA C 47 51.733 51.733 52.309 -0.576 19800 2858 1 11 . 1 1 47 47 ASN CB C 47 41.163 41.163 41.731 -0.568 19800 2859 1 11 . 1 1 48 48 LYS N N 48 121.209 121.209 125.028 -3.819 19800 2860 1 11 . 1 1 48 48 LYS HA H 48 5.302 5.302 4.984 0.318 19800 2861 1 11 . 1 1 48 48 LYS C C 48 175.186 175.186 176.310 -1.124 19800 2862 1 11 . 1 1 48 48 LYS CA C 48 54.377 54.377 55.469 -1.092 19800 2863 1 11 . 1 1 48 48 LYS CB C 48 34.817 34.817 32.574 2.243 19800 2864 1 11 . 1 1 49 49 ILE N N 49 127.508 127.508 122.370 5.138 19800 2865 1 11 . 1 1 49 49 ILE HA H 49 4.335 4.335 4.303 0.032 19800 2866 1 11 . 1 1 49 49 ILE C C 49 175.247 175.247 174.221 1.026 19800 2867 1 11 . 1 1 49 49 ILE CA C 49 59.683 59.683 60.486 -0.803 19800 2868 1 11 . 1 1 49 49 ILE CB C 49 39.941 39.941 38.409 1.532 19800 2869 1 11 . 1 1 50 50 ASP N N 50 127.775 127.775 125.786 1.989 19800 2870 1 11 . 1 1 50 50 ASP HA H 50 3.854 3.854 5.124 -1.270 19800 2871 1 11 . 1 1 50 50 ASP C C 50 177.327 177.327 175.462 1.865 19800 2872 1 11 . 1 1 50 50 ASP CA C 50 53.639 53.639 51.855 1.784 19800 2873 1 11 . 1 1 50 50 ASP CB C 50 40.857 40.857 42.408 -1.551 19800 2874 1 11 . 1 1 51 51 SER N N 51 123.948 123.948 116.824 7.124 19800 2875 1 11 . 1 1 51 51 SER HA H 51 4.660 4.660 4.622 0.038 19800 2876 1 11 . 1 1 51 51 SER C C 51 177.258 177.258 174.616 2.642 19800 2877 1 11 . 1 1 51 51 SER CA C 51 57.111 57.111 56.999 0.112 19800 2878 1 11 . 1 1 51 51 SER CB C 51 63.271 63.271 65.704 -2.433 19800 2879 1 11 . 1 1 52 52 GLY N N 52 112.626 112.626 108.667 3.959 19800 2880 1 11 . 1 1 52 52 GLY C C 52 178.261 178.261 175.152 3.109 19800 2881 1 11 . 1 1 52 52 GLY CA C 52 46.450 46.450 46.235 0.215 19800 2882 1 11 . 1 1 53 53 LYS HA H 53 4.119 4.119 4.282 -0.163 19800 2883 1 11 . 1 1 53 53 LYS C C 53 178.526 178.526 177.385 1.141 19800 2884 1 11 . 1 1 53 53 LYS CA C 53 58.349 58.349 56.856 1.493 19800 2885 1 11 . 1 1 53 53 LYS CB C 53 32.038 32.038 32.435 -0.397 19800 2886 1 11 . 1 1 54 54 LEU N N 54 117.133 117.133 117.300 -0.167 19800 2887 1 11 . 1 1 54 54 LEU HA H 54 4.309 4.309 4.491 -0.182 19800 2888 1 11 . 1 1 54 54 LEU C C 54 178.832 178.832 176.671 2.161 19800 2889 1 11 . 1 1 54 54 LEU CA C 54 54.958 54.958 55.111 -0.153 19800 2890 1 11 . 1 1 54 54 LEU CB C 54 41.155 41.155 42.927 -1.772 19800 2891 1 11 . 1 1 55 55 GLY N N 55 106.946 106.946 106.919 0.027 19800 2892 1 11 . 1 1 55 55 GLY C C 55 172.511 172.511 172.807 -0.296 19800 2893 1 11 . 1 1 55 55 GLY CA C 55 44.519 44.519 45.327 -0.808 19800 2894 1 11 . 1 1 56 56 TYR N N 56 119.500 119.500 122.643 -3.143 19800 2895 1 11 . 1 1 56 56 TYR HA H 56 5.267 5.267 5.552 -0.285 19800 2896 1 11 . 1 1 56 56 TYR C C 56 177.412 177.412 174.178 3.234 19800 2897 1 11 . 1 1 56 56 TYR CA C 56 57.986 57.986 57.254 0.732 19800 2898 1 11 . 1 1 56 56 TYR CB C 56 40.838 40.838 43.016 -2.178 19800 2899 1 11 . 1 1 57 57 SER N N 57 114.460 114.460 114.667 -0.207 19800 2900 1 11 . 1 1 57 57 SER HA H 57 5.386 5.386 4.910 0.476 19800 2901 1 11 . 1 1 57 57 SER C C 57 171.818 171.818 172.503 -0.685 19800 2902 1 11 . 1 1 57 57 SER CA C 57 55.817 55.817 56.950 -1.133 19800 2903 1 11 . 1 1 57 57 SER CB C 57 65.566 65.566 67.309 -1.743 19800 2904 1 11 . 1 1 58 58 ILE N N 58 121.240 121.240 122.137 -0.897 19800 2905 1 11 . 1 1 58 58 ILE HA H 58 5.538 5.538 4.919 0.619 19800 2906 1 11 . 1 1 58 58 ILE C C 58 176.822 176.822 176.155 0.667 19800 2907 1 11 . 1 1 58 58 ILE CA C 58 57.040 57.040 59.382 -2.341 19800 2908 1 11 . 1 1 58 58 ILE CB C 58 39.157 39.157 37.267 1.890 19800 2909 1 11 . 1 1 59 59 THR N N 59 118.505 118.505 121.971 -3.466 19800 2910 1 11 . 1 1 59 59 THR HA H 59 5.435 5.435 4.722 0.713 19800 2911 1 11 . 1 1 59 59 THR C C 59 172.703 172.703 173.559 -0.856 19800 2912 1 11 . 1 1 59 59 THR CA C 59 58.889 58.889 59.903 -1.014 19800 2913 1 11 . 1 1 59 59 THR CB C 59 71.574 71.574 70.246 1.329 19800 2914 1 11 . 1 1 60 60 VAL N N 60 111.299 111.299 118.402 -7.103 19800 2915 1 11 . 1 1 60 60 VAL HA H 60 4.787 4.787 5.091 -0.304 19800 2916 1 11 . 1 1 60 60 VAL C C 60 173.802 173.802 174.491 -0.689 19800 2917 1 11 . 1 1 60 60 VAL CA C 60 58.594 58.594 58.630 -0.036 19800 2918 1 11 . 1 1 60 60 VAL CB C 60 36.560 36.560 35.850 0.710 19800 2919 1 11 . 1 1 61 61 ALA N N 61 125.688 125.688 121.928 3.760 19800 2920 1 11 . 1 1 61 61 ALA HA H 61 4.678 4.678 4.331 0.347 19800 2921 1 11 . 1 1 61 61 ALA C C 61 182.244 182.244 178.725 3.519 19800 2922 1 11 . 1 1 61 61 ALA CA C 61 52.304 52.304 52.557 -0.253 19800 2923 1 11 . 1 1 61 61 ALA CB C 61 19.742 19.742 18.888 0.854 19800 2924 1 11 . 1 1 62 62 GLU N N 62 122.612 122.612 121.839 0.773 19800 2925 1 11 . 1 1 62 62 GLU HA H 62 3.970 3.970 4.156 -0.186 19800 2926 1 11 . 1 1 62 62 GLU C C 62 175.922 175.922 176.745 -0.823 19800 2927 1 11 . 1 1 62 62 GLU CA C 62 62.328 62.328 61.097 1.231 19800 2928 1 11 . 1 1 62 62 GLU CB C 62 27.421 27.421 27.422 -0.001 19800 2929 1 11 . 1 1 63 63 PRO HA H 63 4.486 4.486 4.353 0.133 19800 2930 1 11 . 1 1 63 63 PRO C C 63 178.721 178.721 177.185 1.536 19800 2931 1 11 . 1 1 63 63 PRO CA C 63 65.517 65.517 64.485 1.032 19800 2932 1 11 . 1 1 63 63 PRO CB C 63 31.124 31.124 31.362 -0.238 19800 2933 1 11 . 1 1 64 64 ASP N N 64 115.002 115.002 118.235 -3.233 19800 2934 1 11 . 1 1 64 64 ASP HA H 64 4.994 4.994 4.905 0.089 19800 2935 1 11 . 1 1 64 64 ASP C C 64 176.565 176.565 176.133 0.432 19800 2936 1 11 . 1 1 64 64 ASP CA C 64 54.701 54.701 53.438 1.263 19800 2937 1 11 . 1 1 64 64 ASP CB C 64 43.082 43.082 41.364 1.718 19800 2938 1 11 . 1 1 65 65 PHE N N 65 122.010 122.010 122.776 -0.766 19800 2939 1 11 . 1 1 65 65 PHE HA H 65 3.926 3.926 4.037 -0.111 19800 2940 1 11 . 1 1 65 65 PHE C C 65 175.918 175.918 176.720 -0.802 19800 2941 1 11 . 1 1 65 65 PHE CA C 65 63.611 63.611 62.686 0.925 19800 2942 1 11 . 1 1 65 65 PHE CB C 65 40.354 40.354 39.152 1.202 19800 2943 1 11 . 1 1 66 66 THR N N 66 112.195 112.195 112.841 -0.646 19800 2944 1 11 . 1 1 66 66 THR HA H 66 3.660 3.660 3.861 -0.201 19800 2945 1 11 . 1 1 66 66 THR C C 66 178.106 178.106 175.865 2.241 19800 2946 1 11 . 1 1 66 66 THR CA C 66 66.742 66.742 64.605 2.137 19800 2947 1 11 . 1 1 66 66 THR CB C 66 68.412 68.412 68.497 -0.085 19800 2948 1 11 . 1 1 67 67 ALA N N 67 124.955 124.955 123.155 1.800 19800 2949 1 11 . 1 1 67 67 ALA HA H 67 4.044 4.044 3.642 0.402 19800 2950 1 11 . 1 1 67 67 ALA C C 67 180.268 180.268 178.605 1.663 19800 2951 1 11 . 1 1 67 67 ALA CA C 67 54.618 54.618 54.261 0.357 19800 2952 1 11 . 1 1 67 67 ALA CB C 67 18.408 18.408 17.961 0.447 19800 2953 1 11 . 1 1 68 68 ALA N N 68 119.593 119.593 121.301 -1.708 19800 2954 1 11 . 1 1 68 68 ALA HA H 68 3.966 3.966 4.014 -0.048 19800 2955 1 11 . 1 1 68 68 ALA C C 68 181.033 181.033 179.616 1.417 19800 2956 1 11 . 1 1 68 68 ALA CA C 68 55.623 55.623 55.208 0.415 19800 2957 1 11 . 1 1 68 68 ALA CB C 68 19.802 19.802 18.108 1.694 19800 2958 1 11 . 1 1 69 69 VAL N N 69 115.582 115.582 116.711 -1.129 19800 2959 1 11 . 1 1 69 69 VAL HA H 69 3.257 3.257 3.667 -0.410 19800 2960 1 11 . 1 1 69 69 VAL C C 69 179.000 179.000 177.974 1.026 19800 2961 1 11 . 1 1 69 69 VAL CA C 69 66.077 66.077 65.702 0.375 19800 2962 1 11 . 1 1 69 69 VAL CB C 69 31.684 31.684 31.084 0.600 19800 2963 1 11 . 1 1 70 70 TYR N N 70 118.722 118.722 120.256 -1.534 19800 2964 1 11 . 1 1 70 70 TYR HA H 70 3.805 3.805 4.201 -0.396 19800 2965 1 11 . 1 1 70 70 TYR C C 70 180.084 180.084 177.575 2.509 19800 2966 1 11 . 1 1 70 70 TYR CA C 70 61.459 61.459 60.876 0.583 19800 2967 1 11 . 1 1 70 70 TYR CB C 70 37.712 37.712 38.384 -0.672 19800 2968 1 11 . 1 1 71 71 TRP N N 71 117.180 117.180 118.929 -1.749 19800 2969 1 11 . 1 1 71 71 TRP HA H 71 4.482 4.482 4.283 0.199 19800 2970 1 11 . 1 1 71 71 TRP C C 71 180.643 180.643 177.846 2.797 19800 2971 1 11 . 1 1 71 71 TRP CA C 71 58.833 58.833 58.515 0.318 19800 2972 1 11 . 1 1 71 71 TRP CB C 71 30.133 30.133 29.558 0.575 19800 2973 1 11 . 1 1 72 72 ILE N N 72 113.422 113.422 116.783 -3.361 19800 2974 1 11 . 1 1 72 72 ILE HA H 72 4.452 4.452 4.248 0.204 19800 2975 1 11 . 1 1 72 72 ILE C C 72 178.490 178.490 177.094 1.396 19800 2976 1 11 . 1 1 72 72 ILE CA C 72 61.563 61.563 59.951 1.612 19800 2977 1 11 . 1 1 72 72 ILE CB C 72 37.491 37.491 36.333 1.158 19800 2978 1 11 . 1 1 73 73 LYS N N 73 120.911 120.911 121.911 -1.000 19800 2979 1 11 . 1 1 73 73 LYS HA H 73 4.177 4.177 4.311 -0.134 19800 2980 1 11 . 1 1 73 73 LYS C C 73 179.460 179.460 177.730 1.730 19800 2981 1 11 . 1 1 73 73 LYS CA C 73 58.310 58.310 58.957 -0.647 19800 2982 1 11 . 1 1 73 73 LYS CB C 73 32.247 32.247 31.861 0.386 19800 2983 1 11 . 1 1 74 74 THR N N 74 110.017 110.017 110.759 -0.742 19800 2984 1 11 . 1 1 74 74 THR HA H 74 4.140 4.140 4.033 0.107 19800 2985 1 11 . 1 1 74 74 THR C C 74 174.574 174.574 175.706 -1.132 19800 2986 1 11 . 1 1 74 74 THR CA C 74 63.019 63.019 64.686 -1.667 19800 2987 1 11 . 1 1 74 74 THR CB C 74 69.394 69.394 68.726 0.668 19800 2988 1 11 . 1 1 75 75 TYR N N 75 122.005 122.005 119.706 2.299 19800 2989 1 11 . 1 1 75 75 TYR HA H 75 4.468 4.468 4.791 -0.323 19800 2990 1 11 . 1 1 75 75 TYR C C 75 174.634 174.634 176.001 -1.367 19800 2991 1 11 . 1 1 75 75 TYR CA C 75 58.964 58.964 59.224 -0.260 19800 2992 1 11 . 1 1 75 75 TYR CB C 75 38.945 38.945 40.399 -1.454 19800 2993 1 12 . 1 1 20 20 ASP N N 20 121.855 121.855 118.206 3.649 19800 2994 1 12 . 1 1 20 20 ASP HA H 20 4.824 4.824 4.760 0.064 19800 2995 1 12 . 1 1 20 20 ASP C C 20 176.378 176.378 175.527 0.851 19800 2996 1 12 . 1 1 20 20 ASP CA C 20 54.063 54.063 53.669 0.394 19800 2997 1 12 . 1 1 20 20 ASP CB C 20 41.753 41.753 41.141 0.612 19800 2998 1 12 . 1 1 21 21 LYS N N 21 121.556 121.556 121.836 -0.280 19800 2999 1 12 . 1 1 21 21 LYS HA H 21 4.493 4.493 4.376 0.117 19800 3000 1 12 . 1 1 21 21 LYS C C 21 175.887 175.887 176.430 -0.543 19800 3001 1 12 . 1 1 21 21 LYS CA C 21 54.395 54.395 55.143 -0.748 19800 3002 1 12 . 1 1 21 21 LYS CB C 21 35.006 35.006 32.679 2.327 19800 3003 1 12 . 1 1 22 22 ASP N N 22 123.097 123.097 123.620 -0.523 19800 3004 1 12 . 1 1 22 22 ASP HA H 22 4.558 4.558 4.666 -0.108 19800 3005 1 12 . 1 1 22 22 ASP C C 22 175.402 175.402 175.259 0.143 19800 3006 1 12 . 1 1 22 22 ASP CA C 22 55.514 55.514 54.313 1.200 19800 3007 1 12 . 1 1 22 22 ASP CB C 22 40.854 40.854 41.405 -0.551 19800 3008 1 12 . 1 1 23 23 LEU N N 23 126.265 126.265 124.398 1.867 19800 3009 1 12 . 1 1 23 23 LEU HA H 23 4.680 4.680 4.567 0.113 19800 3010 1 12 . 1 1 23 23 LEU C C 23 176.338 176.338 175.498 0.840 19800 3011 1 12 . 1 1 23 23 LEU CA C 23 56.204 56.204 55.927 0.277 19800 3012 1 12 . 1 1 23 23 LEU CB C 23 45.211 45.211 43.507 1.704 19800 3013 1 12 . 1 1 24 24 LEU N N 24 114.484 114.484 118.065 -3.581 19800 3014 1 12 . 1 1 24 24 LEU HA H 24 4.789 4.789 4.605 0.184 19800 3015 1 12 . 1 1 24 24 LEU C C 24 174.976 174.976 175.670 -0.694 19800 3016 1 12 . 1 1 24 24 LEU CA C 24 53.674 53.674 53.616 0.058 19800 3017 1 12 . 1 1 24 24 LEU CB C 24 49.345 49.345 44.294 5.051 19800 3018 1 12 . 1 1 25 25 LYS N N 25 118.529 118.529 120.588 -2.059 19800 3019 1 12 . 1 1 25 25 LYS HA H 25 4.994 4.994 4.444 0.550 19800 3020 1 12 . 1 1 25 25 LYS C C 25 176.242 176.242 176.659 -0.417 19800 3021 1 12 . 1 1 25 25 LYS CA C 25 55.210 55.210 55.439 -0.229 19800 3022 1 12 . 1 1 25 25 LYS CB C 25 35.992 35.992 33.458 2.534 19800 3023 1 12 . 1 1 26 26 GLY N N 26 107.756 107.756 113.235 -5.479 19800 3024 1 12 . 1 1 26 26 GLY C C 26 176.034 176.034 173.429 2.605 19800 3025 1 12 . 1 1 26 26 GLY CA C 26 46.394 46.394 45.746 0.648 19800 3026 1 12 . 1 1 27 27 LEU N N 27 120.147 120.147 120.152 -0.005 19800 3027 1 12 . 1 1 27 27 LEU HA H 27 4.601 4.601 4.746 -0.145 19800 3028 1 12 . 1 1 27 27 LEU C C 27 179.874 179.874 175.786 4.088 19800 3029 1 12 . 1 1 27 27 LEU CA C 27 54.325 54.325 53.736 0.589 19800 3030 1 12 . 1 1 27 27 LEU CB C 27 43.622 43.622 45.074 -1.452 19800 3031 1 12 . 1 1 28 28 ASP N N 28 119.966 119.966 121.079 -1.113 19800 3032 1 12 . 1 1 28 28 ASP HA H 28 5.096 5.096 4.853 0.243 19800 3033 1 12 . 1 1 28 28 ASP C C 28 177.406 177.406 176.558 0.848 19800 3034 1 12 . 1 1 28 28 ASP CA C 28 52.835 52.835 53.202 -0.367 19800 3035 1 12 . 1 1 28 28 ASP CB C 28 41.180 41.180 43.681 -2.501 19800 3036 1 12 . 1 1 29 29 GLN N N 29 118.219 118.219 120.209 -1.990 19800 3037 1 12 . 1 1 29 29 GLN HA H 29 2.969 2.969 3.372 -0.403 19800 3038 1 12 . 1 1 29 29 GLN C C 29 178.379 178.379 177.447 0.932 19800 3039 1 12 . 1 1 29 29 GLN CA C 29 59.978 59.978 59.063 0.915 19800 3040 1 12 . 1 1 29 29 GLN CB C 29 28.897 28.897 28.308 0.589 19800 3041 1 12 . 1 1 30 30 GLU N N 30 118.429 118.429 116.746 1.683 19800 3042 1 12 . 1 1 30 30 GLU HA H 30 3.986 3.986 3.936 0.050 19800 3043 1 12 . 1 1 30 30 GLU C C 30 182.812 182.812 178.633 4.179 19800 3044 1 12 . 1 1 30 30 GLU CA C 30 59.730 59.730 58.533 1.197 19800 3045 1 12 . 1 1 30 30 GLU CB C 30 28.936 28.936 28.892 0.044 19800 3046 1 12 . 1 1 31 31 GLN N N 31 120.672 120.672 119.878 0.794 19800 3047 1 12 . 1 1 31 31 GLN HA H 31 4.068 4.068 4.163 -0.095 19800 3048 1 12 . 1 1 31 31 GLN C C 31 180.864 180.864 177.529 3.335 19800 3049 1 12 . 1 1 31 31 GLN CA C 31 58.612 58.612 57.686 0.926 19800 3050 1 12 . 1 1 31 31 GLN CB C 31 29.844 29.844 28.330 1.514 19800 3051 1 12 . 1 1 32 32 ALA N N 32 120.200 120.200 121.580 -1.380 19800 3052 1 12 . 1 1 32 32 ALA HA H 32 3.771 3.771 4.032 -0.262 19800 3053 1 12 . 1 1 32 32 ALA C C 32 180.339 180.339 178.784 1.555 19800 3054 1 12 . 1 1 32 32 ALA CA C 32 55.122 55.122 54.257 0.865 19800 3055 1 12 . 1 1 32 32 ALA CB C 32 17.289 17.289 18.408 -1.119 19800 3056 1 12 . 1 1 33 33 ASN N N 33 115.507 115.507 117.090 -1.583 19800 3057 1 12 . 1 1 33 33 ASN HA H 33 4.292 4.292 4.316 -0.024 19800 3058 1 12 . 1 1 33 33 ASN C C 33 180.713 180.713 177.199 3.514 19800 3059 1 12 . 1 1 33 33 ASN CA C 33 55.479 55.479 56.870 -1.391 19800 3060 1 12 . 1 1 33 33 ASN CB C 33 37.104 37.104 38.474 -1.370 19800 3061 1 12 . 1 1 34 34 GLU N N 34 122.826 122.826 119.608 3.218 19800 3062 1 12 . 1 1 34 34 GLU HA H 34 4.083 4.083 4.050 0.033 19800 3063 1 12 . 1 1 34 34 GLU C C 34 180.367 180.367 178.622 1.745 19800 3064 1 12 . 1 1 34 34 GLU CA C 34 59.486 59.486 59.094 0.392 19800 3065 1 12 . 1 1 34 34 GLU CB C 34 29.370 29.370 29.122 0.248 19800 3066 1 12 . 1 1 35 35 VAL N N 35 119.909 119.909 119.339 0.570 19800 3067 1 12 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.614 -0.241 19800 3068 1 12 . 1 1 35 35 VAL C C 35 179.502 179.502 177.726 1.776 19800 3069 1 12 . 1 1 35 35 VAL CA C 35 66.809 66.809 67.060 -0.251 19800 3070 1 12 . 1 1 35 35 VAL CB C 35 31.000 31.000 31.709 -0.709 19800 3071 1 12 . 1 1 36 36 ILE N N 36 118.626 118.626 120.005 -1.379 19800 3072 1 12 . 1 1 36 36 ILE HA H 36 3.514 3.514 3.654 -0.140 19800 3073 1 12 . 1 1 36 36 ILE C C 36 180.436 180.436 177.047 3.389 19800 3074 1 12 . 1 1 36 36 ILE CA C 36 64.355 64.355 64.543 -0.188 19800 3075 1 12 . 1 1 36 36 ILE CB C 36 36.534 36.534 37.712 -1.178 19800 3076 1 12 . 1 1 37 37 ALA N N 37 122.361 122.361 123.300 -0.939 19800 3077 1 12 . 1 1 37 37 ALA HA H 37 4.145 4.145 3.999 0.146 19800 3078 1 12 . 1 1 37 37 ALA C C 37 183.902 183.902 179.394 4.508 19800 3079 1 12 . 1 1 37 37 ALA CA C 37 55.433 55.433 55.222 0.211 19800 3080 1 12 . 1 1 37 37 ALA CB C 37 17.807 17.807 18.167 -0.360 19800 3081 1 12 . 1 1 38 38 VAL N N 38 120.987 120.987 120.085 0.902 19800 3082 1 12 . 1 1 38 38 VAL HA H 38 3.630 3.630 3.472 0.158 19800 3083 1 12 . 1 1 38 38 VAL C C 38 180.529 180.529 178.118 2.411 19800 3084 1 12 . 1 1 38 38 VAL CA C 38 66.453 66.453 66.618 -0.165 19800 3085 1 12 . 1 1 38 38 VAL CB C 38 31.763 31.763 31.688 0.075 19800 3086 1 12 . 1 1 39 39 LEU N N 39 119.408 119.408 118.840 0.568 19800 3087 1 12 . 1 1 39 39 LEU HA H 39 3.929 3.929 3.995 -0.066 19800 3088 1 12 . 1 1 39 39 LEU C C 39 183.063 183.063 179.152 3.911 19800 3089 1 12 . 1 1 39 39 LEU CA C 39 58.544 58.544 58.065 0.479 19800 3090 1 12 . 1 1 39 39 LEU CB C 39 39.409 39.409 40.688 -1.280 19800 3091 1 12 . 1 1 40 40 GLN N N 40 121.514 121.514 119.094 2.420 19800 3092 1 12 . 1 1 40 40 GLN HA H 40 3.928 3.928 4.235 -0.307 19800 3093 1 12 . 1 1 40 40 GLN C C 40 183.366 183.366 179.320 4.046 19800 3094 1 12 . 1 1 40 40 GLN CA C 40 59.324 59.324 58.528 0.796 19800 3095 1 12 . 1 1 40 40 GLN CB C 40 28.254 28.254 28.713 -0.459 19800 3096 1 12 . 1 1 41 41 MET N N 41 119.672 119.672 117.233 2.439 19800 3097 1 12 . 1 1 41 41 MET HA H 41 4.032 4.032 4.168 -0.136 19800 3098 1 12 . 1 1 41 41 MET C C 41 177.125 177.125 176.598 0.527 19800 3099 1 12 . 1 1 41 41 MET CA C 41 57.763 57.763 57.550 0.213 19800 3100 1 12 . 1 1 41 41 MET CB C 41 31.579 31.579 32.609 -1.030 19800 3101 1 12 . 1 1 42 42 HIS N N 42 115.329 115.329 115.421 -0.092 19800 3102 1 12 . 1 1 42 42 HIS HA H 42 4.371 4.371 4.431 -0.060 19800 3103 1 12 . 1 1 42 42 HIS C C 42 171.216 171.216 174.624 -3.408 19800 3104 1 12 . 1 1 42 42 HIS CA C 42 54.601 54.601 56.237 -1.636 19800 3105 1 12 . 1 1 42 42 HIS CB C 42 27.399 27.399 28.916 -1.516 19800 3106 1 12 . 1 1 43 43 ASN N N 43 112.995 112.995 115.025 -2.030 19800 3107 1 12 . 1 1 43 43 ASN HA H 43 4.293 4.293 4.353 -0.060 19800 3108 1 12 . 1 1 43 43 ASN C C 43 173.011 173.011 173.985 -0.974 19800 3109 1 12 . 1 1 43 43 ASN CA C 43 54.571 54.571 54.756 -0.185 19800 3110 1 12 . 1 1 43 43 ASN CB C 43 36.981 36.981 37.188 -0.207 19800 3111 1 12 . 1 1 44 44 ILE N N 44 120.077 120.077 119.899 0.178 19800 3112 1 12 . 1 1 44 44 ILE HA H 44 4.225 4.225 4.452 -0.227 19800 3113 1 12 . 1 1 44 44 ILE C C 44 174.630 174.630 174.490 0.140 19800 3114 1 12 . 1 1 44 44 ILE CA C 44 60.469 60.469 59.683 0.786 19800 3115 1 12 . 1 1 44 44 ILE CB C 44 39.933 39.933 40.382 -0.449 19800 3116 1 12 . 1 1 45 45 GLU N N 45 129.083 129.083 127.528 1.555 19800 3117 1 12 . 1 1 45 45 GLU HA H 45 4.144 4.144 4.293 -0.149 19800 3118 1 12 . 1 1 45 45 GLU C C 45 174.368 174.368 175.126 -0.758 19800 3119 1 12 . 1 1 45 45 GLU CA C 45 56.121 56.121 56.261 -0.140 19800 3120 1 12 . 1 1 45 45 GLU CB C 45 29.979 29.979 28.651 1.328 19800 3121 1 12 . 1 1 46 46 ALA N N 46 127.014 127.014 128.907 -1.893 19800 3122 1 12 . 1 1 46 46 ALA HA H 46 5.087 5.087 4.728 0.359 19800 3123 1 12 . 1 1 46 46 ALA C C 46 175.515 175.515 176.476 -0.961 19800 3124 1 12 . 1 1 46 46 ALA CA C 46 50.426 50.426 50.957 -0.531 19800 3125 1 12 . 1 1 46 46 ALA CB C 46 23.581 23.581 19.942 3.639 19800 3126 1 12 . 1 1 47 47 ASN N N 47 117.293 117.293 122.441 -5.148 19800 3127 1 12 . 1 1 47 47 ASN HA H 47 5.059 5.059 4.913 0.146 19800 3128 1 12 . 1 1 47 47 ASN C C 47 172.618 172.618 174.333 -1.715 19800 3129 1 12 . 1 1 47 47 ASN CA C 47 51.733 51.733 52.159 -0.426 19800 3130 1 12 . 1 1 47 47 ASN CB C 47 41.163 41.163 42.069 -0.906 19800 3131 1 12 . 1 1 48 48 LYS N N 48 121.209 121.209 125.536 -4.327 19800 3132 1 12 . 1 1 48 48 LYS HA H 48 5.302 5.302 4.530 0.772 19800 3133 1 12 . 1 1 48 48 LYS C C 48 175.186 175.186 175.889 -0.703 19800 3134 1 12 . 1 1 48 48 LYS CA C 48 54.377 54.377 55.682 -1.305 19800 3135 1 12 . 1 1 48 48 LYS CB C 48 34.817 34.817 32.884 1.933 19800 3136 1 12 . 1 1 49 49 ILE N N 49 127.508 127.508 123.221 4.287 19800 3137 1 12 . 1 1 49 49 ILE HA H 49 4.335 4.335 4.568 -0.233 19800 3138 1 12 . 1 1 49 49 ILE C C 49 175.247 175.247 173.759 1.488 19800 3139 1 12 . 1 1 49 49 ILE CA C 49 59.683 59.683 60.005 -0.322 19800 3140 1 12 . 1 1 49 49 ILE CB C 49 39.941 39.941 39.614 0.327 19800 3141 1 12 . 1 1 50 50 ASP N N 50 127.775 127.775 125.750 2.025 19800 3142 1 12 . 1 1 50 50 ASP HA H 50 3.854 3.854 5.380 -1.526 19800 3143 1 12 . 1 1 50 50 ASP C C 50 177.327 177.327 175.575 1.752 19800 3144 1 12 . 1 1 50 50 ASP CA C 50 53.639 53.639 52.255 1.384 19800 3145 1 12 . 1 1 50 50 ASP CB C 50 40.857 40.857 42.601 -1.744 19800 3146 1 12 . 1 1 51 51 SER N N 51 123.948 123.948 116.587 7.361 19800 3147 1 12 . 1 1 51 51 SER HA H 51 4.660 4.660 4.621 0.039 19800 3148 1 12 . 1 1 51 51 SER C C 51 177.258 177.258 175.334 1.924 19800 3149 1 12 . 1 1 51 51 SER CA C 51 57.111 57.111 57.320 -0.209 19800 3150 1 12 . 1 1 51 51 SER CB C 51 63.271 63.271 65.500 -2.229 19800 3151 1 12 . 1 1 52 52 GLY N N 52 112.626 112.626 111.636 0.990 19800 3152 1 12 . 1 1 52 52 GLY C C 52 178.261 178.261 174.803 3.458 19800 3153 1 12 . 1 1 52 52 GLY CA C 52 46.450 46.450 46.875 -0.425 19800 3154 1 12 . 1 1 53 53 LYS HA H 53 4.119 4.119 4.206 -0.087 19800 3155 1 12 . 1 1 53 53 LYS C C 53 178.526 178.526 176.500 2.026 19800 3156 1 12 . 1 1 53 53 LYS CA C 53 58.349 58.349 57.215 1.134 19800 3157 1 12 . 1 1 53 53 LYS CB C 53 32.038 32.038 31.866 0.172 19800 3158 1 12 . 1 1 54 54 LEU N N 54 117.133 117.133 119.545 -2.412 19800 3159 1 12 . 1 1 54 54 LEU HA H 54 4.309 4.309 4.489 -0.180 19800 3160 1 12 . 1 1 54 54 LEU C C 54 178.832 178.832 176.391 2.441 19800 3161 1 12 . 1 1 54 54 LEU CA C 54 54.958 54.958 54.893 0.065 19800 3162 1 12 . 1 1 54 54 LEU CB C 54 41.155 41.155 44.954 -3.799 19800 3163 1 12 . 1 1 55 55 GLY N N 55 106.946 106.946 106.961 -0.015 19800 3164 1 12 . 1 1 55 55 GLY C C 55 172.511 172.511 172.801 -0.290 19800 3165 1 12 . 1 1 55 55 GLY CA C 55 44.519 44.519 44.972 -0.453 19800 3166 1 12 . 1 1 56 56 TYR N N 56 119.500 119.500 122.716 -3.216 19800 3167 1 12 . 1 1 56 56 TYR HA H 56 5.267 5.267 4.959 0.308 19800 3168 1 12 . 1 1 56 56 TYR C C 56 177.412 177.412 174.748 2.664 19800 3169 1 12 . 1 1 56 56 TYR CA C 56 57.986 57.986 58.052 -0.066 19800 3170 1 12 . 1 1 56 56 TYR CB C 56 40.838 40.838 41.201 -0.363 19800 3171 1 12 . 1 1 57 57 SER N N 57 114.460 114.460 117.000 -2.540 19800 3172 1 12 . 1 1 57 57 SER HA H 57 5.386 5.386 4.967 0.419 19800 3173 1 12 . 1 1 57 57 SER C C 57 171.818 171.818 172.474 -0.656 19800 3174 1 12 . 1 1 57 57 SER CA C 57 55.817 55.817 56.755 -0.938 19800 3175 1 12 . 1 1 57 57 SER CB C 57 65.566 65.566 67.133 -1.567 19800 3176 1 12 . 1 1 58 58 ILE N N 58 121.240 121.240 120.548 0.692 19800 3177 1 12 . 1 1 58 58 ILE HA H 58 5.538 5.538 5.066 0.472 19800 3178 1 12 . 1 1 58 58 ILE C C 58 176.822 176.822 176.109 0.713 19800 3179 1 12 . 1 1 58 58 ILE CA C 58 57.040 57.040 59.214 -2.174 19800 3180 1 12 . 1 1 58 58 ILE CB C 58 39.157 39.157 39.397 -0.240 19800 3181 1 12 . 1 1 59 59 THR N N 59 118.505 118.505 120.246 -1.741 19800 3182 1 12 . 1 1 59 59 THR HA H 59 5.435 5.435 4.871 0.564 19800 3183 1 12 . 1 1 59 59 THR C C 59 172.703 172.703 173.144 -0.441 19800 3184 1 12 . 1 1 59 59 THR CA C 59 58.889 58.889 59.910 -1.021 19800 3185 1 12 . 1 1 59 59 THR CB C 59 71.574 71.574 71.043 0.531 19800 3186 1 12 . 1 1 60 60 VAL N N 60 111.299 111.299 119.153 -7.854 19800 3187 1 12 . 1 1 60 60 VAL HA H 60 4.787 4.787 5.173 -0.386 19800 3188 1 12 . 1 1 60 60 VAL C C 60 173.802 173.802 174.808 -1.006 19800 3189 1 12 . 1 1 60 60 VAL CA C 60 58.594 58.594 58.192 0.402 19800 3190 1 12 . 1 1 60 60 VAL CB C 60 36.560 36.560 35.134 1.426 19800 3191 1 12 . 1 1 61 61 ALA N N 61 125.688 125.688 121.417 4.271 19800 3192 1 12 . 1 1 61 61 ALA HA H 61 4.678 4.678 4.171 0.507 19800 3193 1 12 . 1 1 61 61 ALA C C 61 182.244 182.244 179.139 3.105 19800 3194 1 12 . 1 1 61 61 ALA CA C 61 52.304 52.304 52.959 -0.655 19800 3195 1 12 . 1 1 61 61 ALA CB C 61 19.742 19.742 19.228 0.514 19800 3196 1 12 . 1 1 62 62 GLU N N 62 122.612 122.612 122.600 0.012 19800 3197 1 12 . 1 1 62 62 GLU HA H 62 3.970 3.970 4.058 -0.088 19800 3198 1 12 . 1 1 62 62 GLU C C 62 175.922 175.922 176.917 -0.995 19800 3199 1 12 . 1 1 62 62 GLU CA C 62 62.328 62.328 61.154 1.174 19800 3200 1 12 . 1 1 62 62 GLU CB C 62 27.421 27.421 27.830 -0.409 19800 3201 1 12 . 1 1 63 63 PRO HA H 63 4.486 4.486 4.434 0.052 19800 3202 1 12 . 1 1 63 63 PRO C C 63 178.721 178.721 176.971 1.750 19800 3203 1 12 . 1 1 63 63 PRO CA C 63 65.517 65.517 64.360 1.157 19800 3204 1 12 . 1 1 63 63 PRO CB C 63 31.124 31.124 31.270 -0.146 19800 3205 1 12 . 1 1 64 64 ASP N N 64 115.002 115.002 118.785 -3.783 19800 3206 1 12 . 1 1 64 64 ASP HA H 64 4.994 4.994 4.789 0.205 19800 3207 1 12 . 1 1 64 64 ASP C C 64 176.565 176.565 176.435 0.130 19800 3208 1 12 . 1 1 64 64 ASP CA C 64 54.701 54.701 54.562 0.140 19800 3209 1 12 . 1 1 64 64 ASP CB C 64 43.082 43.082 41.444 1.638 19800 3210 1 12 . 1 1 65 65 PHE N N 65 122.010 122.010 122.049 -0.039 19800 3211 1 12 . 1 1 65 65 PHE HA H 65 3.926 3.926 4.192 -0.266 19800 3212 1 12 . 1 1 65 65 PHE C C 65 175.918 175.918 176.617 -0.699 19800 3213 1 12 . 1 1 65 65 PHE CA C 65 63.611 63.611 62.149 1.462 19800 3214 1 12 . 1 1 65 65 PHE CB C 65 40.354 40.354 39.203 1.151 19800 3215 1 12 . 1 1 66 66 THR N N 66 112.195 112.195 114.306 -2.111 19800 3216 1 12 . 1 1 66 66 THR HA H 66 3.660 3.660 3.855 -0.195 19800 3217 1 12 . 1 1 66 66 THR C C 66 178.106 178.106 176.141 1.965 19800 3218 1 12 . 1 1 66 66 THR CA C 66 66.742 66.742 66.276 0.466 19800 3219 1 12 . 1 1 66 66 THR CB C 66 68.412 68.412 68.417 -0.005 19800 3220 1 12 . 1 1 67 67 ALA N N 67 124.955 124.955 122.832 2.123 19800 3221 1 12 . 1 1 67 67 ALA HA H 67 4.044 4.044 3.684 0.360 19800 3222 1 12 . 1 1 67 67 ALA C C 67 180.268 180.268 178.666 1.602 19800 3223 1 12 . 1 1 67 67 ALA CA C 67 54.618 54.618 54.406 0.213 19800 3224 1 12 . 1 1 67 67 ALA CB C 67 18.408 18.408 17.857 0.551 19800 3225 1 12 . 1 1 68 68 ALA N N 68 119.593 119.593 121.744 -2.151 19800 3226 1 12 . 1 1 68 68 ALA HA H 68 3.966 3.966 4.013 -0.047 19800 3227 1 12 . 1 1 68 68 ALA C C 68 181.033 181.033 179.591 1.442 19800 3228 1 12 . 1 1 68 68 ALA CA C 68 55.623 55.623 55.029 0.595 19800 3229 1 12 . 1 1 68 68 ALA CB C 68 19.802 19.802 18.053 1.748 19800 3230 1 12 . 1 1 69 69 VAL N N 69 115.582 115.582 117.688 -2.106 19800 3231 1 12 . 1 1 69 69 VAL HA H 69 3.257 3.257 3.377 -0.120 19800 3232 1 12 . 1 1 69 69 VAL C C 69 179.000 179.000 177.721 1.279 19800 3233 1 12 . 1 1 69 69 VAL CA C 69 66.077 66.077 66.220 -0.143 19800 3234 1 12 . 1 1 69 69 VAL CB C 69 31.684 31.684 31.563 0.121 19800 3235 1 12 . 1 1 70 70 TYR N N 70 118.722 118.722 120.169 -1.447 19800 3236 1 12 . 1 1 70 70 TYR HA H 70 3.805 3.805 3.982 -0.177 19800 3237 1 12 . 1 1 70 70 TYR C C 70 180.084 180.084 177.901 2.183 19800 3238 1 12 . 1 1 70 70 TYR CA C 70 61.459 61.459 61.623 -0.164 19800 3239 1 12 . 1 1 70 70 TYR CB C 70 37.712 37.712 38.174 -0.462 19800 3240 1 12 . 1 1 71 71 TRP N N 71 117.180 117.180 119.191 -2.011 19800 3241 1 12 . 1 1 71 71 TRP HA H 71 4.482 4.482 4.223 0.259 19800 3242 1 12 . 1 1 71 71 TRP C C 71 180.643 180.643 178.303 2.340 19800 3243 1 12 . 1 1 71 71 TRP CA C 71 58.833 58.833 59.160 -0.327 19800 3244 1 12 . 1 1 71 71 TRP CB C 71 30.133 30.133 29.598 0.535 19800 3245 1 12 . 1 1 72 72 ILE N N 72 113.422 113.422 117.319 -3.897 19800 3246 1 12 . 1 1 72 72 ILE HA H 72 4.452 4.452 3.853 0.599 19800 3247 1 12 . 1 1 72 72 ILE C C 72 178.490 178.490 177.393 1.097 19800 3248 1 12 . 1 1 72 72 ILE CA C 72 61.563 61.563 62.521 -0.958 19800 3249 1 12 . 1 1 72 72 ILE CB C 72 37.491 37.491 36.263 1.228 19800 3250 1 12 . 1 1 73 73 LYS N N 73 120.911 120.911 120.070 0.841 19800 3251 1 12 . 1 1 73 73 LYS HA H 73 4.177 4.177 4.382 -0.205 19800 3252 1 12 . 1 1 73 73 LYS C C 73 179.460 179.460 178.161 1.299 19800 3253 1 12 . 1 1 73 73 LYS CA C 73 58.310 58.310 57.812 0.498 19800 3254 1 12 . 1 1 73 73 LYS CB C 73 32.247 32.247 31.901 0.346 19800 3255 1 12 . 1 1 74 74 THR N N 74 110.017 110.017 110.423 -0.406 19800 3256 1 12 . 1 1 74 74 THR HA H 74 4.140 4.140 4.283 -0.143 19800 3257 1 12 . 1 1 74 74 THR C C 74 174.574 174.574 175.157 -0.583 19800 3258 1 12 . 1 1 74 74 THR CA C 74 63.019 63.019 63.125 -0.106 19800 3259 1 12 . 1 1 74 74 THR CB C 74 69.394 69.394 69.259 0.135 19800 3260 1 12 . 1 1 75 75 TYR N N 75 122.005 122.005 121.390 0.615 19800 3261 1 12 . 1 1 75 75 TYR HA H 75 4.468 4.468 4.724 -0.256 19800 3262 1 12 . 1 1 75 75 TYR C C 75 174.634 174.634 174.664 -0.030 19800 3263 1 12 . 1 1 75 75 TYR CA C 75 58.964 58.964 58.469 0.495 19800 3264 1 12 . 1 1 75 75 TYR CB C 75 38.945 38.945 41.101 -2.156 19800 3265 1 13 . 1 1 20 20 ASP N N 20 121.855 121.855 117.184 4.671 19800 3266 1 13 . 1 1 20 20 ASP HA H 20 4.824 4.824 4.569 0.255 19800 3267 1 13 . 1 1 20 20 ASP C C 20 176.378 176.378 176.015 0.363 19800 3268 1 13 . 1 1 20 20 ASP CA C 20 54.063 54.063 53.380 0.683 19800 3269 1 13 . 1 1 20 20 ASP CB C 20 41.753 41.753 40.876 0.877 19800 3270 1 13 . 1 1 21 21 LYS N N 21 121.556 121.556 122.210 -0.654 19800 3271 1 13 . 1 1 21 21 LYS HA H 21 4.493 4.493 4.111 0.382 19800 3272 1 13 . 1 1 21 21 LYS C C 21 175.887 175.887 176.153 -0.266 19800 3273 1 13 . 1 1 21 21 LYS CA C 21 54.395 54.395 55.697 -1.302 19800 3274 1 13 . 1 1 21 21 LYS CB C 21 35.006 35.006 31.567 3.439 19800 3275 1 13 . 1 1 22 22 ASP N N 22 123.097 123.097 122.983 0.114 19800 3276 1 13 . 1 1 22 22 ASP HA H 22 4.558 4.558 4.509 0.049 19800 3277 1 13 . 1 1 22 22 ASP C C 22 175.402 175.402 175.164 0.238 19800 3278 1 13 . 1 1 22 22 ASP CA C 22 55.514 55.514 54.477 1.037 19800 3279 1 13 . 1 1 22 22 ASP CB C 22 40.854 40.854 41.303 -0.449 19800 3280 1 13 . 1 1 23 23 LEU N N 23 126.265 126.265 124.526 1.739 19800 3281 1 13 . 1 1 23 23 LEU HA H 23 4.680 4.680 4.651 0.029 19800 3282 1 13 . 1 1 23 23 LEU C C 23 176.338 176.338 175.774 0.564 19800 3283 1 13 . 1 1 23 23 LEU CA C 23 56.204 56.204 55.521 0.683 19800 3284 1 13 . 1 1 23 23 LEU CB C 23 45.211 45.211 44.858 0.353 19800 3285 1 13 . 1 1 24 24 LEU N N 24 114.484 114.484 119.021 -4.537 19800 3286 1 13 . 1 1 24 24 LEU HA H 24 4.789 4.789 4.694 0.095 19800 3287 1 13 . 1 1 24 24 LEU C C 24 174.976 174.976 174.599 0.377 19800 3288 1 13 . 1 1 24 24 LEU CA C 24 53.674 53.674 54.194 -0.520 19800 3289 1 13 . 1 1 24 24 LEU CB C 24 49.345 49.345 45.942 3.403 19800 3290 1 13 . 1 1 25 25 LYS N N 25 118.529 118.529 121.779 -3.250 19800 3291 1 13 . 1 1 25 25 LYS HA H 25 4.994 4.994 5.326 -0.332 19800 3292 1 13 . 1 1 25 25 LYS C C 25 176.242 176.242 177.372 -1.130 19800 3293 1 13 . 1 1 25 25 LYS CA C 25 55.210 55.210 55.171 0.039 19800 3294 1 13 . 1 1 25 25 LYS CB C 25 35.992 35.992 33.611 2.381 19800 3295 1 13 . 1 1 26 26 GLY N N 26 107.756 107.756 112.623 -4.867 19800 3296 1 13 . 1 1 26 26 GLY C C 26 176.034 176.034 173.511 2.523 19800 3297 1 13 . 1 1 26 26 GLY CA C 26 46.394 46.394 45.432 0.962 19800 3298 1 13 . 1 1 27 27 LEU N N 27 120.147 120.147 120.596 -0.449 19800 3299 1 13 . 1 1 27 27 LEU HA H 27 4.601 4.601 4.765 -0.164 19800 3300 1 13 . 1 1 27 27 LEU C C 27 179.874 179.874 175.370 4.504 19800 3301 1 13 . 1 1 27 27 LEU CA C 27 54.325 54.325 53.490 0.834 19800 3302 1 13 . 1 1 27 27 LEU CB C 27 43.622 43.622 44.695 -1.073 19800 3303 1 13 . 1 1 28 28 ASP N N 28 119.966 119.966 125.472 -5.506 19800 3304 1 13 . 1 1 28 28 ASP HA H 28 5.096 5.096 4.844 0.252 19800 3305 1 13 . 1 1 28 28 ASP C C 28 177.406 177.406 177.068 0.338 19800 3306 1 13 . 1 1 28 28 ASP CA C 28 52.835 52.835 54.481 -1.646 19800 3307 1 13 . 1 1 28 28 ASP CB C 28 41.180 41.180 42.701 -1.521 19800 3308 1 13 . 1 1 29 29 GLN N N 29 118.219 118.219 119.955 -1.736 19800 3309 1 13 . 1 1 29 29 GLN HA H 29 2.969 2.969 3.455 -0.486 19800 3310 1 13 . 1 1 29 29 GLN C C 29 178.379 178.379 177.184 1.195 19800 3311 1 13 . 1 1 29 29 GLN CA C 29 59.978 59.978 59.255 0.723 19800 3312 1 13 . 1 1 29 29 GLN CB C 29 28.897 28.897 28.230 0.666 19800 3313 1 13 . 1 1 30 30 GLU N N 30 118.429 118.429 118.154 0.275 19800 3314 1 13 . 1 1 30 30 GLU HA H 30 3.986 3.986 4.026 -0.040 19800 3315 1 13 . 1 1 30 30 GLU C C 30 182.812 182.812 179.071 3.741 19800 3316 1 13 . 1 1 30 30 GLU CA C 30 59.730 59.730 59.095 0.635 19800 3317 1 13 . 1 1 30 30 GLU CB C 30 28.936 28.936 29.121 -0.185 19800 3318 1 13 . 1 1 31 31 GLN N N 31 120.672 120.672 118.553 2.119 19800 3319 1 13 . 1 1 31 31 GLN HA H 31 4.068 4.068 4.239 -0.171 19800 3320 1 13 . 1 1 31 31 GLN C C 31 180.864 180.864 177.777 3.087 19800 3321 1 13 . 1 1 31 31 GLN CA C 31 58.612 58.612 57.442 1.170 19800 3322 1 13 . 1 1 31 31 GLN CB C 31 29.844 29.844 28.571 1.273 19800 3323 1 13 . 1 1 32 32 ALA N N 32 120.200 120.200 122.798 -2.598 19800 3324 1 13 . 1 1 32 32 ALA HA H 32 3.771 3.771 3.896 -0.125 19800 3325 1 13 . 1 1 32 32 ALA C C 32 180.339 180.339 177.962 2.377 19800 3326 1 13 . 1 1 32 32 ALA CA C 32 55.122 55.122 54.704 0.418 19800 3327 1 13 . 1 1 32 32 ALA CB C 32 17.289 17.289 18.074 -0.785 19800 3328 1 13 . 1 1 33 33 ASN N N 33 115.507 115.507 117.053 -1.546 19800 3329 1 13 . 1 1 33 33 ASN HA H 33 4.292 4.292 4.323 -0.031 19800 3330 1 13 . 1 1 33 33 ASN C C 33 180.713 180.713 177.498 3.215 19800 3331 1 13 . 1 1 33 33 ASN CA C 33 55.479 55.479 56.823 -1.344 19800 3332 1 13 . 1 1 33 33 ASN CB C 33 37.104 37.104 38.326 -1.222 19800 3333 1 13 . 1 1 34 34 GLU N N 34 122.826 122.826 119.073 3.753 19800 3334 1 13 . 1 1 34 34 GLU HA H 34 4.083 4.083 4.085 -0.002 19800 3335 1 13 . 1 1 34 34 GLU C C 34 180.367 180.367 179.044 1.323 19800 3336 1 13 . 1 1 34 34 GLU CA C 34 59.486 59.486 58.956 0.530 19800 3337 1 13 . 1 1 34 34 GLU CB C 34 29.370 29.370 29.715 -0.345 19800 3338 1 13 . 1 1 35 35 VAL N N 35 119.909 119.909 119.420 0.489 19800 3339 1 13 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.581 -0.208 19800 3340 1 13 . 1 1 35 35 VAL C C 35 179.502 179.502 177.584 1.918 19800 3341 1 13 . 1 1 35 35 VAL CA C 35 66.809 66.809 65.513 1.296 19800 3342 1 13 . 1 1 35 35 VAL CB C 35 31.000 31.000 31.790 -0.790 19800 3343 1 13 . 1 1 36 36 ILE N N 36 118.626 118.626 120.310 -1.684 19800 3344 1 13 . 1 1 36 36 ILE HA H 36 3.514 3.514 3.647 -0.133 19800 3345 1 13 . 1 1 36 36 ILE C C 36 180.436 180.436 177.003 3.433 19800 3346 1 13 . 1 1 36 36 ILE CA C 36 64.355 64.355 64.458 -0.103 19800 3347 1 13 . 1 1 36 36 ILE CB C 36 36.534 36.534 37.922 -1.387 19800 3348 1 13 . 1 1 37 37 ALA N N 37 122.361 122.361 122.389 -0.028 19800 3349 1 13 . 1 1 37 37 ALA HA H 37 4.145 4.145 4.083 0.062 19800 3350 1 13 . 1 1 37 37 ALA C C 37 183.902 183.902 179.456 4.446 19800 3351 1 13 . 1 1 37 37 ALA CA C 37 55.433 55.433 55.088 0.345 19800 3352 1 13 . 1 1 37 37 ALA CB C 37 17.807 17.807 18.123 -0.316 19800 3353 1 13 . 1 1 38 38 VAL N N 38 120.987 120.987 119.456 1.531 19800 3354 1 13 . 1 1 38 38 VAL HA H 38 3.630 3.630 3.582 0.048 19800 3355 1 13 . 1 1 38 38 VAL C C 38 180.529 180.529 178.194 2.335 19800 3356 1 13 . 1 1 38 38 VAL CA C 38 66.453 66.453 66.304 0.149 19800 3357 1 13 . 1 1 38 38 VAL CB C 38 31.763 31.763 31.710 0.053 19800 3358 1 13 . 1 1 39 39 LEU N N 39 119.408 119.408 118.738 0.670 19800 3359 1 13 . 1 1 39 39 LEU HA H 39 3.929 3.929 4.029 -0.100 19800 3360 1 13 . 1 1 39 39 LEU C C 39 183.063 183.063 179.100 3.963 19800 3361 1 13 . 1 1 39 39 LEU CA C 39 58.544 58.544 57.477 1.067 19800 3362 1 13 . 1 1 39 39 LEU CB C 39 39.409 39.409 40.286 -0.877 19800 3363 1 13 . 1 1 40 40 GLN N N 40 121.514 121.514 119.402 2.112 19800 3364 1 13 . 1 1 40 40 GLN HA H 40 3.928 3.928 4.039 -0.111 19800 3365 1 13 . 1 1 40 40 GLN C C 40 183.366 183.366 179.320 4.046 19800 3366 1 13 . 1 1 40 40 GLN CA C 40 59.324 59.324 58.807 0.517 19800 3367 1 13 . 1 1 40 40 GLN CB C 40 28.254 28.254 28.879 -0.625 19800 3368 1 13 . 1 1 41 41 MET N N 41 119.672 119.672 117.121 2.551 19800 3369 1 13 . 1 1 41 41 MET HA H 41 4.032 4.032 4.186 -0.154 19800 3370 1 13 . 1 1 41 41 MET C C 41 177.125 177.125 177.984 -0.859 19800 3371 1 13 . 1 1 41 41 MET CA C 41 57.763 57.763 57.144 0.619 19800 3372 1 13 . 1 1 41 41 MET CB C 41 31.579 31.579 31.839 -0.260 19800 3373 1 13 . 1 1 42 42 HIS N N 42 115.329 115.329 114.937 0.392 19800 3374 1 13 . 1 1 42 42 HIS HA H 42 4.371 4.371 4.465 -0.094 19800 3375 1 13 . 1 1 42 42 HIS C C 42 171.216 171.216 174.808 -3.592 19800 3376 1 13 . 1 1 42 42 HIS CA C 42 54.601 54.601 56.871 -2.270 19800 3377 1 13 . 1 1 42 42 HIS CB C 42 27.399 27.399 29.029 -1.631 19800 3378 1 13 . 1 1 43 43 ASN N N 43 112.995 112.995 114.525 -1.530 19800 3379 1 13 . 1 1 43 43 ASN HA H 43 4.293 4.293 4.366 -0.073 19800 3380 1 13 . 1 1 43 43 ASN C C 43 173.011 173.011 174.178 -1.167 19800 3381 1 13 . 1 1 43 43 ASN CA C 43 54.571 54.571 54.365 0.206 19800 3382 1 13 . 1 1 43 43 ASN CB C 43 36.981 36.981 37.529 -0.548 19800 3383 1 13 . 1 1 44 44 ILE N N 44 120.077 120.077 119.669 0.408 19800 3384 1 13 . 1 1 44 44 ILE HA H 44 4.225 4.225 4.407 -0.182 19800 3385 1 13 . 1 1 44 44 ILE C C 44 174.630 174.630 175.079 -0.449 19800 3386 1 13 . 1 1 44 44 ILE CA C 44 60.469 60.469 59.727 0.743 19800 3387 1 13 . 1 1 44 44 ILE CB C 44 39.933 39.933 40.223 -0.290 19800 3388 1 13 . 1 1 45 45 GLU N N 45 129.083 129.083 128.414 0.669 19800 3389 1 13 . 1 1 45 45 GLU HA H 45 4.144 4.144 4.289 -0.145 19800 3390 1 13 . 1 1 45 45 GLU C C 45 174.368 174.368 175.157 -0.789 19800 3391 1 13 . 1 1 45 45 GLU CA C 45 56.121 56.121 56.528 -0.407 19800 3392 1 13 . 1 1 45 45 GLU CB C 45 29.979 29.979 30.608 -0.629 19800 3393 1 13 . 1 1 46 46 ALA N N 46 127.014 127.014 128.516 -1.502 19800 3394 1 13 . 1 1 46 46 ALA HA H 46 5.087 5.087 4.557 0.530 19800 3395 1 13 . 1 1 46 46 ALA C C 46 175.515 175.515 176.645 -1.130 19800 3396 1 13 . 1 1 46 46 ALA CA C 46 50.426 50.426 51.060 -0.634 19800 3397 1 13 . 1 1 46 46 ALA CB C 46 23.581 23.581 19.805 3.776 19800 3398 1 13 . 1 1 47 47 ASN N N 47 117.293 117.293 121.831 -4.538 19800 3399 1 13 . 1 1 47 47 ASN HA H 47 5.059 5.059 5.032 0.027 19800 3400 1 13 . 1 1 47 47 ASN C C 47 172.618 172.618 173.864 -1.246 19800 3401 1 13 . 1 1 47 47 ASN CA C 47 51.733 51.733 52.274 -0.541 19800 3402 1 13 . 1 1 47 47 ASN CB C 47 41.163 41.163 42.582 -1.419 19800 3403 1 13 . 1 1 48 48 LYS N N 48 121.209 121.209 121.197 0.012 19800 3404 1 13 . 1 1 48 48 LYS HA H 48 5.302 5.302 4.630 0.672 19800 3405 1 13 . 1 1 48 48 LYS C C 48 175.186 175.186 176.273 -1.087 19800 3406 1 13 . 1 1 48 48 LYS CA C 48 54.377 54.377 56.505 -2.128 19800 3407 1 13 . 1 1 48 48 LYS CB C 48 34.817 34.817 33.528 1.289 19800 3408 1 13 . 1 1 49 49 ILE N N 49 127.508 127.508 118.314 9.194 19800 3409 1 13 . 1 1 49 49 ILE HA H 49 4.335 4.335 4.523 -0.188 19800 3410 1 13 . 1 1 49 49 ILE C C 49 175.247 175.247 173.237 2.010 19800 3411 1 13 . 1 1 49 49 ILE CA C 49 59.683 59.683 59.714 -0.031 19800 3412 1 13 . 1 1 49 49 ILE CB C 49 39.941 39.941 40.123 -0.182 19800 3413 1 13 . 1 1 50 50 ASP N N 50 127.775 127.775 127.667 0.108 19800 3414 1 13 . 1 1 50 50 ASP HA H 50 3.854 3.854 5.733 -1.879 19800 3415 1 13 . 1 1 50 50 ASP C C 50 177.327 177.327 175.367 1.960 19800 3416 1 13 . 1 1 50 50 ASP CA C 50 53.639 53.639 52.353 1.286 19800 3417 1 13 . 1 1 50 50 ASP CB C 50 40.857 40.857 42.775 -1.918 19800 3418 1 13 . 1 1 51 51 SER N N 51 123.948 123.948 120.543 3.405 19800 3419 1 13 . 1 1 51 51 SER HA H 51 4.660 4.660 4.610 0.050 19800 3420 1 13 . 1 1 51 51 SER C C 51 177.258 177.258 175.081 2.177 19800 3421 1 13 . 1 1 51 51 SER CA C 51 57.111 57.111 57.219 -0.108 19800 3422 1 13 . 1 1 51 51 SER CB C 51 63.271 63.271 66.430 -3.159 19800 3423 1 13 . 1 1 52 52 GLY N N 52 112.626 112.626 112.492 0.134 19800 3424 1 13 . 1 1 52 52 GLY C C 52 178.261 178.261 174.968 3.293 19800 3425 1 13 . 1 1 52 52 GLY CA C 52 46.450 46.450 47.471 -1.021 19800 3426 1 13 . 1 1 53 53 LYS HA H 53 4.119 4.119 4.209 -0.090 19800 3427 1 13 . 1 1 53 53 LYS C C 53 178.526 178.526 176.214 2.312 19800 3428 1 13 . 1 1 53 53 LYS CA C 53 58.349 58.349 57.027 1.322 19800 3429 1 13 . 1 1 53 53 LYS CB C 53 32.038 32.038 32.375 -0.337 19800 3430 1 13 . 1 1 54 54 LEU N N 54 117.133 117.133 116.780 0.353 19800 3431 1 13 . 1 1 54 54 LEU HA H 54 4.309 4.309 4.396 -0.087 19800 3432 1 13 . 1 1 54 54 LEU C C 54 178.832 178.832 176.544 2.288 19800 3433 1 13 . 1 1 54 54 LEU CA C 54 54.958 54.958 54.885 0.073 19800 3434 1 13 . 1 1 54 54 LEU CB C 54 41.155 41.155 44.400 -3.244 19800 3435 1 13 . 1 1 55 55 GLY N N 55 106.946 106.946 106.056 0.890 19800 3436 1 13 . 1 1 55 55 GLY C C 55 172.511 172.511 172.346 0.165 19800 3437 1 13 . 1 1 55 55 GLY CA C 55 44.519 44.519 44.890 -0.371 19800 3438 1 13 . 1 1 56 56 TYR N N 56 119.500 119.500 122.182 -2.682 19800 3439 1 13 . 1 1 56 56 TYR HA H 56 5.267 5.267 5.130 0.137 19800 3440 1 13 . 1 1 56 56 TYR C C 56 177.412 177.412 175.022 2.390 19800 3441 1 13 . 1 1 56 56 TYR CA C 56 57.986 57.986 58.044 -0.058 19800 3442 1 13 . 1 1 56 56 TYR CB C 56 40.838 40.838 40.589 0.249 19800 3443 1 13 . 1 1 57 57 SER N N 57 114.460 114.460 117.771 -3.311 19800 3444 1 13 . 1 1 57 57 SER HA H 57 5.386 5.386 4.916 0.470 19800 3445 1 13 . 1 1 57 57 SER C C 57 171.818 171.818 172.978 -1.160 19800 3446 1 13 . 1 1 57 57 SER CA C 57 55.817 55.817 56.911 -1.094 19800 3447 1 13 . 1 1 57 57 SER CB C 57 65.566 65.566 66.818 -1.252 19800 3448 1 13 . 1 1 58 58 ILE N N 58 121.240 121.240 122.391 -1.151 19800 3449 1 13 . 1 1 58 58 ILE HA H 58 5.538 5.538 4.642 0.896 19800 3450 1 13 . 1 1 58 58 ILE C C 58 176.822 176.822 176.212 0.610 19800 3451 1 13 . 1 1 58 58 ILE CA C 58 57.040 57.040 59.427 -2.387 19800 3452 1 13 . 1 1 58 58 ILE CB C 58 39.157 39.157 36.689 2.468 19800 3453 1 13 . 1 1 59 59 THR N N 59 118.505 118.505 123.234 -4.729 19800 3454 1 13 . 1 1 59 59 THR HA H 59 5.435 5.435 4.632 0.803 19800 3455 1 13 . 1 1 59 59 THR C C 59 172.703 172.703 174.041 -1.338 19800 3456 1 13 . 1 1 59 59 THR CA C 59 58.889 58.889 61.171 -2.282 19800 3457 1 13 . 1 1 59 59 THR CB C 59 71.574 71.574 70.176 1.398 19800 3458 1 13 . 1 1 60 60 VAL N N 60 111.299 111.299 122.685 -11.386 19800 3459 1 13 . 1 1 60 60 VAL HA H 60 4.787 4.787 4.776 0.011 19800 3460 1 13 . 1 1 60 60 VAL C C 60 173.802 173.802 175.060 -1.258 19800 3461 1 13 . 1 1 60 60 VAL CA C 60 58.594 58.594 58.418 0.176 19800 3462 1 13 . 1 1 60 60 VAL CB C 60 36.560 36.560 34.652 1.908 19800 3463 1 13 . 1 1 61 61 ALA N N 61 125.688 125.688 122.068 3.620 19800 3464 1 13 . 1 1 61 61 ALA HA H 61 4.678 4.678 4.255 0.423 19800 3465 1 13 . 1 1 61 61 ALA C C 61 182.244 182.244 179.105 3.139 19800 3466 1 13 . 1 1 61 61 ALA CA C 61 52.304 52.304 52.777 -0.473 19800 3467 1 13 . 1 1 61 61 ALA CB C 61 19.742 19.742 19.126 0.616 19800 3468 1 13 . 1 1 62 62 GLU N N 62 122.612 122.612 122.610 0.002 19800 3469 1 13 . 1 1 62 62 GLU HA H 62 3.970 3.970 4.023 -0.053 19800 3470 1 13 . 1 1 62 62 GLU C C 62 175.922 175.922 177.050 -1.128 19800 3471 1 13 . 1 1 62 62 GLU CA C 62 62.328 62.328 60.438 1.890 19800 3472 1 13 . 1 1 62 62 GLU CB C 62 27.421 27.421 27.966 -0.545 19800 3473 1 13 . 1 1 63 63 PRO HA H 63 4.486 4.486 4.373 0.113 19800 3474 1 13 . 1 1 63 63 PRO C C 63 178.721 178.721 176.694 2.027 19800 3475 1 13 . 1 1 63 63 PRO CA C 63 65.517 65.517 64.494 1.023 19800 3476 1 13 . 1 1 63 63 PRO CB C 63 31.124 31.124 31.301 -0.177 19800 3477 1 13 . 1 1 64 64 ASP N N 64 115.002 115.002 118.584 -3.582 19800 3478 1 13 . 1 1 64 64 ASP HA H 64 4.994 4.994 4.686 0.308 19800 3479 1 13 . 1 1 64 64 ASP C C 64 176.565 176.565 177.256 -0.691 19800 3480 1 13 . 1 1 64 64 ASP CA C 64 54.701 54.701 55.319 -0.618 19800 3481 1 13 . 1 1 64 64 ASP CB C 64 43.082 43.082 40.771 2.311 19800 3482 1 13 . 1 1 65 65 PHE N N 65 122.010 122.010 121.683 0.327 19800 3483 1 13 . 1 1 65 65 PHE HA H 65 3.926 3.926 4.152 -0.226 19800 3484 1 13 . 1 1 65 65 PHE C C 65 175.918 175.918 176.319 -0.401 19800 3485 1 13 . 1 1 65 65 PHE CA C 65 63.611 63.611 61.521 2.090 19800 3486 1 13 . 1 1 65 65 PHE CB C 65 40.354 40.354 39.155 1.199 19800 3487 1 13 . 1 1 66 66 THR N N 66 112.195 112.195 115.314 -3.119 19800 3488 1 13 . 1 1 66 66 THR HA H 66 3.660 3.660 3.644 0.016 19800 3489 1 13 . 1 1 66 66 THR C C 66 178.106 178.106 175.991 2.115 19800 3490 1 13 . 1 1 66 66 THR CA C 66 66.742 66.742 67.579 -0.837 19800 3491 1 13 . 1 1 66 66 THR CB C 66 68.412 68.412 68.127 0.285 19800 3492 1 13 . 1 1 67 67 ALA N N 67 124.955 124.955 122.657 2.298 19800 3493 1 13 . 1 1 67 67 ALA HA H 67 4.044 4.044 3.677 0.367 19800 3494 1 13 . 1 1 67 67 ALA C C 67 180.268 180.268 178.621 1.647 19800 3495 1 13 . 1 1 67 67 ALA CA C 67 54.618 54.618 54.343 0.275 19800 3496 1 13 . 1 1 67 67 ALA CB C 67 18.408 18.408 17.805 0.603 19800 3497 1 13 . 1 1 68 68 ALA N N 68 119.593 119.593 121.646 -2.053 19800 3498 1 13 . 1 1 68 68 ALA HA H 68 3.966 3.966 4.027 -0.061 19800 3499 1 13 . 1 1 68 68 ALA C C 68 181.033 181.033 179.542 1.491 19800 3500 1 13 . 1 1 68 68 ALA CA C 68 55.623 55.623 55.085 0.538 19800 3501 1 13 . 1 1 68 68 ALA CB C 68 19.802 19.802 18.132 1.670 19800 3502 1 13 . 1 1 69 69 VAL N N 69 115.582 115.582 117.880 -2.298 19800 3503 1 13 . 1 1 69 69 VAL HA H 69 3.257 3.257 3.450 -0.193 19800 3504 1 13 . 1 1 69 69 VAL C C 69 179.000 179.000 177.835 1.165 19800 3505 1 13 . 1 1 69 69 VAL CA C 69 66.077 66.077 66.073 0.004 19800 3506 1 13 . 1 1 69 69 VAL CB C 69 31.684 31.684 30.606 1.078 19800 3507 1 13 . 1 1 70 70 TYR N N 70 118.722 118.722 120.254 -1.532 19800 3508 1 13 . 1 1 70 70 TYR HA H 70 3.805 3.805 4.029 -0.224 19800 3509 1 13 . 1 1 70 70 TYR C C 70 180.084 180.084 178.216 1.868 19800 3510 1 13 . 1 1 70 70 TYR CA C 70 61.459 61.459 61.624 -0.165 19800 3511 1 13 . 1 1 70 70 TYR CB C 70 37.712 37.712 38.316 -0.604 19800 3512 1 13 . 1 1 71 71 TRP N N 71 117.180 117.180 119.553 -2.373 19800 3513 1 13 . 1 1 71 71 TRP HA H 71 4.482 4.482 4.181 0.301 19800 3514 1 13 . 1 1 71 71 TRP C C 71 180.643 180.643 178.394 2.249 19800 3515 1 13 . 1 1 71 71 TRP CA C 71 58.833 58.833 59.295 -0.462 19800 3516 1 13 . 1 1 71 71 TRP CB C 71 30.133 30.133 29.507 0.626 19800 3517 1 13 . 1 1 72 72 ILE N N 72 113.422 113.422 117.515 -4.093 19800 3518 1 13 . 1 1 72 72 ILE HA H 72 4.452 4.452 3.849 0.603 19800 3519 1 13 . 1 1 72 72 ILE C C 72 178.490 178.490 178.082 0.408 19800 3520 1 13 . 1 1 72 72 ILE CA C 72 61.563 61.563 62.524 -0.961 19800 3521 1 13 . 1 1 72 72 ILE CB C 72 37.491 37.491 36.487 1.004 19800 3522 1 13 . 1 1 73 73 LYS N N 73 120.911 120.911 120.766 0.145 19800 3523 1 13 . 1 1 73 73 LYS HA H 73 4.177 4.177 4.080 0.097 19800 3524 1 13 . 1 1 73 73 LYS C C 73 179.460 179.460 177.782 1.678 19800 3525 1 13 . 1 1 73 73 LYS CA C 73 58.310 58.310 58.704 -0.394 19800 3526 1 13 . 1 1 73 73 LYS CB C 73 32.247 32.247 32.148 0.099 19800 3527 1 13 . 1 1 74 74 THR N N 74 110.017 110.017 110.027 -0.010 19800 3528 1 13 . 1 1 74 74 THR HA H 74 4.140 4.140 4.187 -0.047 19800 3529 1 13 . 1 1 74 74 THR C C 74 174.574 174.574 175.039 -0.465 19800 3530 1 13 . 1 1 74 74 THR CA C 74 63.019 63.019 62.652 0.367 19800 3531 1 13 . 1 1 74 74 THR CB C 74 69.394 69.394 69.584 -0.190 19800 3532 1 13 . 1 1 75 75 TYR N N 75 122.005 122.005 125.043 -3.038 19800 3533 1 13 . 1 1 75 75 TYR HA H 75 4.468 4.468 4.474 -0.006 19800 3534 1 13 . 1 1 75 75 TYR C C 75 174.634 174.634 174.023 0.611 19800 3535 1 13 . 1 1 75 75 TYR CA C 75 58.964 58.964 58.513 0.452 19800 3536 1 13 . 1 1 75 75 TYR CB C 75 38.945 38.945 37.862 1.083 19800 3537 1 14 . 1 1 20 20 ASP N N 20 121.855 121.855 121.792 0.063 19800 3538 1 14 . 1 1 20 20 ASP HA H 20 4.824 4.824 4.477 0.347 19800 3539 1 14 . 1 1 20 20 ASP C C 20 176.378 176.378 175.526 0.852 19800 3540 1 14 . 1 1 20 20 ASP CA C 20 54.063 54.063 54.743 -0.680 19800 3541 1 14 . 1 1 20 20 ASP CB C 20 41.753 41.753 39.976 1.777 19800 3542 1 14 . 1 1 21 21 LYS N N 21 121.556 121.556 122.447 -0.891 19800 3543 1 14 . 1 1 21 21 LYS HA H 21 4.493 4.493 4.489 0.004 19800 3544 1 14 . 1 1 21 21 LYS C C 21 175.887 175.887 174.863 1.024 19800 3545 1 14 . 1 1 21 21 LYS CA C 21 54.395 54.395 54.557 -0.162 19800 3546 1 14 . 1 1 21 21 LYS CB C 21 35.006 35.006 36.315 -1.309 19800 3547 1 14 . 1 1 22 22 ASP N N 22 123.097 123.097 120.941 2.156 19800 3548 1 14 . 1 1 22 22 ASP HA H 22 4.558 4.558 4.601 -0.043 19800 3549 1 14 . 1 1 22 22 ASP C C 22 175.402 175.402 175.592 -0.190 19800 3550 1 14 . 1 1 22 22 ASP CA C 22 55.514 55.514 54.603 0.911 19800 3551 1 14 . 1 1 22 22 ASP CB C 22 40.854 40.854 41.426 -0.572 19800 3552 1 14 . 1 1 23 23 LEU N N 23 126.265 126.265 123.706 2.559 19800 3553 1 14 . 1 1 23 23 LEU HA H 23 4.680 4.680 4.575 0.105 19800 3554 1 14 . 1 1 23 23 LEU C C 23 176.338 176.338 175.206 1.132 19800 3555 1 14 . 1 1 23 23 LEU CA C 23 56.204 56.204 55.905 0.299 19800 3556 1 14 . 1 1 23 23 LEU CB C 23 45.211 45.211 43.715 1.496 19800 3557 1 14 . 1 1 24 24 LEU N N 24 114.484 114.484 116.332 -1.848 19800 3558 1 14 . 1 1 24 24 LEU HA H 24 4.789 4.789 4.570 0.219 19800 3559 1 14 . 1 1 24 24 LEU C C 24 174.976 174.976 175.037 -0.061 19800 3560 1 14 . 1 1 24 24 LEU CA C 24 53.674 53.674 53.765 -0.091 19800 3561 1 14 . 1 1 24 24 LEU CB C 24 49.345 49.345 45.075 4.270 19800 3562 1 14 . 1 1 25 25 LYS N N 25 118.529 118.529 119.800 -1.271 19800 3563 1 14 . 1 1 25 25 LYS HA H 25 4.994 4.994 4.553 0.441 19800 3564 1 14 . 1 1 25 25 LYS C C 25 176.242 176.242 176.659 -0.417 19800 3565 1 14 . 1 1 25 25 LYS CA C 25 55.210 55.210 55.260 -0.050 19800 3566 1 14 . 1 1 25 25 LYS CB C 25 35.992 35.992 34.103 1.889 19800 3567 1 14 . 1 1 26 26 GLY N N 26 107.756 107.756 113.365 -5.609 19800 3568 1 14 . 1 1 26 26 GLY C C 26 176.034 176.034 173.700 2.334 19800 3569 1 14 . 1 1 26 26 GLY CA C 26 46.394 46.394 46.114 0.280 19800 3570 1 14 . 1 1 27 27 LEU N N 27 120.147 120.147 120.204 -0.057 19800 3571 1 14 . 1 1 27 27 LEU HA H 27 4.601 4.601 4.633 -0.032 19800 3572 1 14 . 1 1 27 27 LEU C C 27 179.874 179.874 175.088 4.786 19800 3573 1 14 . 1 1 27 27 LEU CA C 27 54.325 54.325 53.909 0.416 19800 3574 1 14 . 1 1 27 27 LEU CB C 27 43.622 43.622 45.306 -1.684 19800 3575 1 14 . 1 1 28 28 ASP N N 28 119.966 119.966 123.023 -3.057 19800 3576 1 14 . 1 1 28 28 ASP HA H 28 5.096 5.096 5.004 0.092 19800 3577 1 14 . 1 1 28 28 ASP C C 28 177.406 177.406 176.521 0.885 19800 3578 1 14 . 1 1 28 28 ASP CA C 28 52.835 52.835 53.069 -0.234 19800 3579 1 14 . 1 1 28 28 ASP CB C 28 41.180 41.180 43.658 -2.478 19800 3580 1 14 . 1 1 29 29 GLN N N 29 118.219 118.219 121.707 -3.488 19800 3581 1 14 . 1 1 29 29 GLN HA H 29 2.969 2.969 3.640 -0.671 19800 3582 1 14 . 1 1 29 29 GLN C C 29 178.379 178.379 177.268 1.111 19800 3583 1 14 . 1 1 29 29 GLN CA C 29 59.978 59.978 58.998 0.980 19800 3584 1 14 . 1 1 29 29 GLN CB C 29 28.897 28.897 28.285 0.612 19800 3585 1 14 . 1 1 30 30 GLU N N 30 118.429 118.429 117.273 1.156 19800 3586 1 14 . 1 1 30 30 GLU HA H 30 3.986 3.986 4.062 -0.076 19800 3587 1 14 . 1 1 30 30 GLU C C 30 182.812 182.812 178.723 4.089 19800 3588 1 14 . 1 1 30 30 GLU CA C 30 59.730 59.730 58.509 1.221 19800 3589 1 14 . 1 1 30 30 GLU CB C 30 28.936 28.936 29.188 -0.252 19800 3590 1 14 . 1 1 31 31 GLN N N 31 120.672 120.672 118.099 2.573 19800 3591 1 14 . 1 1 31 31 GLN HA H 31 4.068 4.068 4.200 -0.132 19800 3592 1 14 . 1 1 31 31 GLN C C 31 180.864 180.864 178.271 2.593 19800 3593 1 14 . 1 1 31 31 GLN CA C 31 58.612 58.612 57.934 0.678 19800 3594 1 14 . 1 1 31 31 GLN CB C 31 29.844 29.844 28.966 0.878 19800 3595 1 14 . 1 1 32 32 ALA N N 32 120.200 120.200 122.638 -2.438 19800 3596 1 14 . 1 1 32 32 ALA HA H 32 3.771 3.771 3.958 -0.187 19800 3597 1 14 . 1 1 32 32 ALA C C 32 180.339 180.339 178.186 2.153 19800 3598 1 14 . 1 1 32 32 ALA CA C 32 55.122 55.122 55.020 0.102 19800 3599 1 14 . 1 1 32 32 ALA CB C 32 17.289 17.289 18.491 -1.202 19800 3600 1 14 . 1 1 33 33 ASN N N 33 115.507 115.507 115.923 -0.416 19800 3601 1 14 . 1 1 33 33 ASN HA H 33 4.292 4.292 4.343 -0.051 19800 3602 1 14 . 1 1 33 33 ASN C C 33 180.713 180.713 177.459 3.254 19800 3603 1 14 . 1 1 33 33 ASN CA C 33 55.479 55.479 56.534 -1.055 19800 3604 1 14 . 1 1 33 33 ASN CB C 33 37.104 37.104 38.327 -1.223 19800 3605 1 14 . 1 1 34 34 GLU N N 34 122.826 122.826 117.815 5.011 19800 3606 1 14 . 1 1 34 34 GLU HA H 34 4.083 4.083 4.074 0.009 19800 3607 1 14 . 1 1 34 34 GLU C C 34 180.367 180.367 178.130 2.237 19800 3608 1 14 . 1 1 34 34 GLU CA C 34 59.486 59.486 58.624 0.862 19800 3609 1 14 . 1 1 34 34 GLU CB C 34 29.370 29.370 29.324 0.046 19800 3610 1 14 . 1 1 35 35 VAL N N 35 119.909 119.909 118.838 1.071 19800 3611 1 14 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.682 -0.309 19800 3612 1 14 . 1 1 35 35 VAL C C 35 179.502 179.502 177.458 2.044 19800 3613 1 14 . 1 1 35 35 VAL CA C 35 66.809 66.809 64.980 1.829 19800 3614 1 14 . 1 1 35 35 VAL CB C 35 31.000 31.000 32.208 -1.208 19800 3615 1 14 . 1 1 36 36 ILE N N 36 118.626 118.626 120.763 -2.137 19800 3616 1 14 . 1 1 36 36 ILE HA H 36 3.514 3.514 3.635 -0.121 19800 3617 1 14 . 1 1 36 36 ILE C C 36 180.436 180.436 176.820 3.616 19800 3618 1 14 . 1 1 36 36 ILE CA C 36 64.355 64.355 64.531 -0.176 19800 3619 1 14 . 1 1 36 36 ILE CB C 36 36.534 36.534 37.871 -1.337 19800 3620 1 14 . 1 1 37 37 ALA N N 37 122.361 122.361 121.736 0.625 19800 3621 1 14 . 1 1 37 37 ALA HA H 37 4.145 4.145 4.069 0.075 19800 3622 1 14 . 1 1 37 37 ALA C C 37 183.902 183.902 179.515 4.387 19800 3623 1 14 . 1 1 37 37 ALA CA C 37 55.433 55.433 54.861 0.572 19800 3624 1 14 . 1 1 37 37 ALA CB C 37 17.807 17.807 18.294 -0.487 19800 3625 1 14 . 1 1 38 38 VAL N N 38 120.987 120.987 119.303 1.684 19800 3626 1 14 . 1 1 38 38 VAL HA H 38 3.630 3.630 3.612 0.018 19800 3627 1 14 . 1 1 38 38 VAL C C 38 180.529 180.529 177.861 2.668 19800 3628 1 14 . 1 1 38 38 VAL CA C 38 66.453 66.453 65.980 0.473 19800 3629 1 14 . 1 1 38 38 VAL CB C 38 31.763 31.763 31.783 -0.020 19800 3630 1 14 . 1 1 39 39 LEU N N 39 119.408 119.408 119.779 -0.371 19800 3631 1 14 . 1 1 39 39 LEU HA H 39 3.929 3.929 4.002 -0.073 19800 3632 1 14 . 1 1 39 39 LEU C C 39 183.063 183.063 179.397 3.666 19800 3633 1 14 . 1 1 39 39 LEU CA C 39 58.544 58.544 57.766 0.778 19800 3634 1 14 . 1 1 39 39 LEU CB C 39 39.409 39.409 40.571 -1.162 19800 3635 1 14 . 1 1 40 40 GLN N N 40 121.514 121.514 116.983 4.531 19800 3636 1 14 . 1 1 40 40 GLN HA H 40 3.928 3.928 4.086 -0.158 19800 3637 1 14 . 1 1 40 40 GLN C C 40 183.366 183.366 179.315 4.051 19800 3638 1 14 . 1 1 40 40 GLN CA C 40 59.324 59.324 58.349 0.975 19800 3639 1 14 . 1 1 40 40 GLN CB C 40 28.254 28.254 28.594 -0.340 19800 3640 1 14 . 1 1 41 41 MET N N 41 119.672 119.672 118.712 0.960 19800 3641 1 14 . 1 1 41 41 MET HA H 41 4.032 4.032 4.204 -0.172 19800 3642 1 14 . 1 1 41 41 MET C C 41 177.125 177.125 176.918 0.207 19800 3643 1 14 . 1 1 41 41 MET CA C 41 57.763 57.763 57.877 -0.114 19800 3644 1 14 . 1 1 41 41 MET CB C 41 31.579 31.579 32.818 -1.239 19800 3645 1 14 . 1 1 42 42 HIS N N 42 115.329 115.329 116.118 -0.789 19800 3646 1 14 . 1 1 42 42 HIS HA H 42 4.371 4.371 4.480 -0.109 19800 3647 1 14 . 1 1 42 42 HIS C C 42 171.216 171.216 174.331 -3.115 19800 3648 1 14 . 1 1 42 42 HIS CA C 42 54.601 54.601 56.375 -1.774 19800 3649 1 14 . 1 1 42 42 HIS CB C 42 27.399 27.399 29.262 -1.863 19800 3650 1 14 . 1 1 43 43 ASN N N 43 112.995 112.995 114.739 -1.744 19800 3651 1 14 . 1 1 43 43 ASN HA H 43 4.293 4.293 4.334 -0.041 19800 3652 1 14 . 1 1 43 43 ASN C C 43 173.011 173.011 173.917 -0.906 19800 3653 1 14 . 1 1 43 43 ASN CA C 43 54.571 54.571 54.625 -0.054 19800 3654 1 14 . 1 1 43 43 ASN CB C 43 36.981 36.981 37.446 -0.465 19800 3655 1 14 . 1 1 44 44 ILE N N 44 120.077 120.077 120.062 0.015 19800 3656 1 14 . 1 1 44 44 ILE HA H 44 4.225 4.225 4.405 -0.180 19800 3657 1 14 . 1 1 44 44 ILE C C 44 174.630 174.630 174.322 0.308 19800 3658 1 14 . 1 1 44 44 ILE CA C 44 60.469 60.469 59.683 0.786 19800 3659 1 14 . 1 1 44 44 ILE CB C 44 39.933 39.933 40.045 -0.112 19800 3660 1 14 . 1 1 45 45 GLU N N 45 129.083 129.083 129.433 -0.350 19800 3661 1 14 . 1 1 45 45 GLU HA H 45 4.144 4.144 4.176 -0.032 19800 3662 1 14 . 1 1 45 45 GLU C C 45 174.368 174.368 174.863 -0.495 19800 3663 1 14 . 1 1 45 45 GLU CA C 45 56.121 56.121 56.547 -0.426 19800 3664 1 14 . 1 1 45 45 GLU CB C 45 29.979 29.979 30.356 -0.377 19800 3665 1 14 . 1 1 46 46 ALA N N 46 127.014 127.014 129.647 -2.633 19800 3666 1 14 . 1 1 46 46 ALA HA H 46 5.087 5.087 4.591 0.496 19800 3667 1 14 . 1 1 46 46 ALA C C 46 175.515 175.515 176.444 -0.929 19800 3668 1 14 . 1 1 46 46 ALA CA C 46 50.426 50.426 50.911 -0.485 19800 3669 1 14 . 1 1 46 46 ALA CB C 46 23.581 23.581 20.459 3.122 19800 3670 1 14 . 1 1 47 47 ASN N N 47 117.293 117.293 123.068 -5.775 19800 3671 1 14 . 1 1 47 47 ASN HA H 47 5.059 5.059 4.966 0.093 19800 3672 1 14 . 1 1 47 47 ASN C C 47 172.618 172.618 174.642 -2.024 19800 3673 1 14 . 1 1 47 47 ASN CA C 47 51.733 51.733 52.407 -0.674 19800 3674 1 14 . 1 1 47 47 ASN CB C 47 41.163 41.163 41.599 -0.436 19800 3675 1 14 . 1 1 48 48 LYS N N 48 121.209 121.209 121.335 -0.126 19800 3676 1 14 . 1 1 48 48 LYS HA H 48 5.302 5.302 5.232 0.070 19800 3677 1 14 . 1 1 48 48 LYS C C 48 175.186 175.186 176.602 -1.416 19800 3678 1 14 . 1 1 48 48 LYS CA C 48 54.377 54.377 55.264 -0.887 19800 3679 1 14 . 1 1 48 48 LYS CB C 48 34.817 34.817 34.433 0.384 19800 3680 1 14 . 1 1 49 49 ILE N N 49 127.508 127.508 123.529 3.979 19800 3681 1 14 . 1 1 49 49 ILE HA H 49 4.335 4.335 4.293 0.042 19800 3682 1 14 . 1 1 49 49 ILE C C 49 175.247 175.247 174.531 0.716 19800 3683 1 14 . 1 1 49 49 ILE CA C 49 59.683 59.683 60.292 -0.609 19800 3684 1 14 . 1 1 49 49 ILE CB C 49 39.941 39.941 37.310 2.631 19800 3685 1 14 . 1 1 50 50 ASP N N 50 127.775 127.775 130.912 -3.137 19800 3686 1 14 . 1 1 50 50 ASP HA H 50 3.854 3.854 4.096 -0.242 19800 3687 1 14 . 1 1 50 50 ASP C C 50 177.327 177.327 175.066 2.261 19800 3688 1 14 . 1 1 50 50 ASP CA C 50 53.639 53.639 55.180 -1.541 19800 3689 1 14 . 1 1 50 50 ASP CB C 50 40.857 40.857 40.933 -0.076 19800 3690 1 14 . 1 1 51 51 SER N N 51 123.948 123.948 118.921 5.027 19800 3691 1 14 . 1 1 51 51 SER HA H 51 4.660 4.660 4.575 0.085 19800 3692 1 14 . 1 1 51 51 SER C C 51 177.258 177.258 175.271 1.987 19800 3693 1 14 . 1 1 51 51 SER CA C 51 57.111 57.111 57.654 -0.543 19800 3694 1 14 . 1 1 51 51 SER CB C 51 63.271 63.271 64.707 -1.437 19800 3695 1 14 . 1 1 52 52 GLY N N 52 112.626 112.626 112.790 -0.164 19800 3696 1 14 . 1 1 52 52 GLY C C 52 178.261 178.261 175.552 2.709 19800 3697 1 14 . 1 1 52 52 GLY CA C 52 46.450 46.450 46.830 -0.380 19800 3698 1 14 . 1 1 53 53 LYS HA H 53 4.119 4.119 4.273 -0.154 19800 3699 1 14 . 1 1 53 53 LYS C C 53 178.526 178.526 177.629 0.897 19800 3700 1 14 . 1 1 53 53 LYS CA C 53 58.349 58.349 56.776 1.573 19800 3701 1 14 . 1 1 53 53 LYS CB C 53 32.038 32.038 31.946 0.092 19800 3702 1 14 . 1 1 54 54 LEU N N 54 117.133 117.133 117.098 0.035 19800 3703 1 14 . 1 1 54 54 LEU HA H 54 4.309 4.309 4.350 -0.041 19800 3704 1 14 . 1 1 54 54 LEU C C 54 178.832 178.832 175.978 2.854 19800 3705 1 14 . 1 1 54 54 LEU CA C 54 54.958 54.958 54.950 0.008 19800 3706 1 14 . 1 1 54 54 LEU CB C 54 41.155 41.155 42.897 -1.742 19800 3707 1 14 . 1 1 55 55 GLY N N 55 106.946 106.946 103.800 3.146 19800 3708 1 14 . 1 1 55 55 GLY C C 55 172.511 172.511 173.268 -0.757 19800 3709 1 14 . 1 1 55 55 GLY CA C 55 44.519 44.519 44.233 0.287 19800 3710 1 14 . 1 1 56 56 TYR N N 56 119.500 119.500 121.621 -2.121 19800 3711 1 14 . 1 1 56 56 TYR HA H 56 5.267 5.267 4.504 0.763 19800 3712 1 14 . 1 1 56 56 TYR C C 56 177.412 177.412 175.153 2.259 19800 3713 1 14 . 1 1 56 56 TYR CA C 56 57.986 57.986 59.732 -1.746 19800 3714 1 14 . 1 1 56 56 TYR CB C 56 40.838 40.838 38.898 1.940 19800 3715 1 14 . 1 1 57 57 SER N N 57 114.460 114.460 116.937 -2.477 19800 3716 1 14 . 1 1 57 57 SER HA H 57 5.386 5.386 4.810 0.576 19800 3717 1 14 . 1 1 57 57 SER C C 57 171.818 171.818 172.868 -1.050 19800 3718 1 14 . 1 1 57 57 SER CA C 57 55.817 55.817 56.685 -0.868 19800 3719 1 14 . 1 1 57 57 SER CB C 57 65.566 65.566 67.069 -1.503 19800 3720 1 14 . 1 1 58 58 ILE N N 58 121.240 121.240 121.978 -0.738 19800 3721 1 14 . 1 1 58 58 ILE HA H 58 5.538 5.538 4.881 0.657 19800 3722 1 14 . 1 1 58 58 ILE C C 58 176.822 176.822 176.171 0.651 19800 3723 1 14 . 1 1 58 58 ILE CA C 58 57.040 57.040 59.768 -2.728 19800 3724 1 14 . 1 1 58 58 ILE CB C 58 39.157 39.157 37.759 1.398 19800 3725 1 14 . 1 1 59 59 THR N N 59 118.505 118.505 124.852 -6.347 19800 3726 1 14 . 1 1 59 59 THR HA H 59 5.435 5.435 4.818 0.617 19800 3727 1 14 . 1 1 59 59 THR C C 59 172.703 172.703 173.869 -1.166 19800 3728 1 14 . 1 1 59 59 THR CA C 59 58.889 58.889 61.658 -2.769 19800 3729 1 14 . 1 1 59 59 THR CB C 59 71.574 71.574 70.935 0.639 19800 3730 1 14 . 1 1 60 60 VAL N N 60 111.299 111.299 120.790 -9.491 19800 3731 1 14 . 1 1 60 60 VAL HA H 60 4.787 4.787 4.802 -0.015 19800 3732 1 14 . 1 1 60 60 VAL C C 60 173.802 173.802 174.470 -0.668 19800 3733 1 14 . 1 1 60 60 VAL CA C 60 58.594 58.594 57.953 0.641 19800 3734 1 14 . 1 1 60 60 VAL CB C 60 36.560 36.560 35.204 1.356 19800 3735 1 14 . 1 1 61 61 ALA N N 61 125.688 125.688 121.661 4.027 19800 3736 1 14 . 1 1 61 61 ALA HA H 61 4.678 4.678 4.262 0.416 19800 3737 1 14 . 1 1 61 61 ALA C C 61 182.244 182.244 179.260 2.984 19800 3738 1 14 . 1 1 61 61 ALA CA C 61 52.304 52.304 52.493 -0.189 19800 3739 1 14 . 1 1 61 61 ALA CB C 61 19.742 19.742 19.145 0.597 19800 3740 1 14 . 1 1 62 62 GLU N N 62 122.612 122.612 121.988 0.624 19800 3741 1 14 . 1 1 62 62 GLU HA H 62 3.970 3.970 4.048 -0.078 19800 3742 1 14 . 1 1 62 62 GLU C C 62 175.922 175.922 176.920 -0.998 19800 3743 1 14 . 1 1 62 62 GLU CA C 62 62.328 62.328 61.307 1.021 19800 3744 1 14 . 1 1 62 62 GLU CB C 62 27.421 27.421 27.726 -0.305 19800 3745 1 14 . 1 1 63 63 PRO HA H 63 4.486 4.486 4.376 0.110 19800 3746 1 14 . 1 1 63 63 PRO C C 63 178.721 178.721 177.220 1.501 19800 3747 1 14 . 1 1 63 63 PRO CA C 63 65.517 65.517 64.560 0.957 19800 3748 1 14 . 1 1 63 63 PRO CB C 63 31.124 31.124 31.462 -0.338 19800 3749 1 14 . 1 1 64 64 ASP N N 64 115.002 115.002 116.567 -1.565 19800 3750 1 14 . 1 1 64 64 ASP HA H 64 4.994 4.994 4.839 0.155 19800 3751 1 14 . 1 1 64 64 ASP C C 64 176.565 176.565 176.557 0.008 19800 3752 1 14 . 1 1 64 64 ASP CA C 64 54.701 54.701 54.402 0.299 19800 3753 1 14 . 1 1 64 64 ASP CB C 64 43.082 43.082 41.984 1.098 19800 3754 1 14 . 1 1 65 65 PHE N N 65 122.010 122.010 122.619 -0.609 19800 3755 1 14 . 1 1 65 65 PHE HA H 65 3.926 3.926 4.076 -0.150 19800 3756 1 14 . 1 1 65 65 PHE C C 65 175.918 175.918 176.730 -0.812 19800 3757 1 14 . 1 1 65 65 PHE CA C 65 63.611 63.611 62.077 1.534 19800 3758 1 14 . 1 1 65 65 PHE CB C 65 40.354 40.354 39.138 1.216 19800 3759 1 14 . 1 1 66 66 THR N N 66 112.195 112.195 113.983 -1.788 19800 3760 1 14 . 1 1 66 66 THR HA H 66 3.660 3.660 3.726 -0.066 19800 3761 1 14 . 1 1 66 66 THR C C 66 178.106 178.106 175.795 2.311 19800 3762 1 14 . 1 1 66 66 THR CA C 66 66.742 66.742 65.869 0.873 19800 3763 1 14 . 1 1 66 66 THR CB C 66 68.412 68.412 68.241 0.171 19800 3764 1 14 . 1 1 67 67 ALA N N 67 124.955 124.955 122.618 2.337 19800 3765 1 14 . 1 1 67 67 ALA HA H 67 4.044 4.044 3.667 0.377 19800 3766 1 14 . 1 1 67 67 ALA C C 67 180.268 180.268 178.537 1.731 19800 3767 1 14 . 1 1 67 67 ALA CA C 67 54.618 54.618 54.254 0.364 19800 3768 1 14 . 1 1 67 67 ALA CB C 67 18.408 18.408 18.048 0.360 19800 3769 1 14 . 1 1 68 68 ALA N N 68 119.593 119.593 120.975 -1.382 19800 3770 1 14 . 1 1 68 68 ALA HA H 68 3.966 3.966 4.050 -0.084 19800 3771 1 14 . 1 1 68 68 ALA C C 68 181.033 181.033 179.567 1.466 19800 3772 1 14 . 1 1 68 68 ALA CA C 68 55.623 55.623 54.867 0.756 19800 3773 1 14 . 1 1 68 68 ALA CB C 68 19.802 19.802 18.290 1.512 19800 3774 1 14 . 1 1 69 69 VAL N N 69 115.582 115.582 116.993 -1.411 19800 3775 1 14 . 1 1 69 69 VAL HA H 69 3.257 3.257 3.470 -0.213 19800 3776 1 14 . 1 1 69 69 VAL C C 69 179.000 179.000 177.461 1.539 19800 3777 1 14 . 1 1 69 69 VAL CA C 69 66.077 66.077 66.642 -0.565 19800 3778 1 14 . 1 1 69 69 VAL CB C 69 31.684 31.684 31.350 0.334 19800 3779 1 14 . 1 1 70 70 TYR N N 70 118.722 118.722 119.538 -0.816 19800 3780 1 14 . 1 1 70 70 TYR HA H 70 3.805 3.805 4.086 -0.281 19800 3781 1 14 . 1 1 70 70 TYR C C 70 180.084 180.084 177.621 2.463 19800 3782 1 14 . 1 1 70 70 TYR CA C 70 61.459 61.459 61.091 0.368 19800 3783 1 14 . 1 1 70 70 TYR CB C 70 37.712 37.712 38.444 -0.731 19800 3784 1 14 . 1 1 71 71 TRP N N 71 117.180 117.180 118.775 -1.595 19800 3785 1 14 . 1 1 71 71 TRP HA H 71 4.482 4.482 4.404 0.078 19800 3786 1 14 . 1 1 71 71 TRP C C 71 180.643 180.643 178.633 2.010 19800 3787 1 14 . 1 1 71 71 TRP CA C 71 58.833 58.833 58.483 0.350 19800 3788 1 14 . 1 1 71 71 TRP CB C 71 30.133 30.133 29.435 0.698 19800 3789 1 14 . 1 1 72 72 ILE N N 72 113.422 113.422 118.457 -5.035 19800 3790 1 14 . 1 1 72 72 ILE HA H 72 4.452 4.452 3.868 0.584 19800 3791 1 14 . 1 1 72 72 ILE C C 72 178.490 178.490 177.903 0.587 19800 3792 1 14 . 1 1 72 72 ILE CA C 72 61.563 61.563 62.710 -1.147 19800 3793 1 14 . 1 1 72 72 ILE CB C 72 37.491 37.491 36.309 1.182 19800 3794 1 14 . 1 1 73 73 LYS N N 73 120.911 120.911 118.837 2.074 19800 3795 1 14 . 1 1 73 73 LYS HA H 73 4.177 4.177 4.076 0.101 19800 3796 1 14 . 1 1 73 73 LYS C C 73 179.460 179.460 177.781 1.679 19800 3797 1 14 . 1 1 73 73 LYS CA C 73 58.310 58.310 58.204 0.106 19800 3798 1 14 . 1 1 73 73 LYS CB C 73 32.247 32.247 31.751 0.496 19800 3799 1 14 . 1 1 74 74 THR N N 74 110.017 110.017 111.982 -1.965 19800 3800 1 14 . 1 1 74 74 THR HA H 74 4.140 4.140 4.192 -0.052 19800 3801 1 14 . 1 1 74 74 THR C C 74 174.574 174.574 174.235 0.339 19800 3802 1 14 . 1 1 74 74 THR CA C 74 63.019 63.019 64.119 -1.100 19800 3803 1 14 . 1 1 74 74 THR CB C 74 69.394 69.394 69.370 0.024 19800 3804 1 14 . 1 1 75 75 TYR N N 75 122.005 122.005 123.914 -1.909 19800 3805 1 14 . 1 1 75 75 TYR HA H 75 4.468 4.468 4.338 0.130 19800 3806 1 14 . 1 1 75 75 TYR C C 75 174.634 174.634 174.381 0.253 19800 3807 1 14 . 1 1 75 75 TYR CA C 75 58.964 58.964 58.996 -0.032 19800 3808 1 14 . 1 1 75 75 TYR CB C 75 38.945 38.945 38.891 0.055 19800 3809 1 15 . 1 1 20 20 ASP N N 20 121.855 121.855 120.446 1.409 19800 3810 1 15 . 1 1 20 20 ASP HA H 20 4.824 4.824 4.335 0.489 19800 3811 1 15 . 1 1 20 20 ASP C C 20 176.378 176.378 174.612 1.766 19800 3812 1 15 . 1 1 20 20 ASP CA C 20 54.063 54.063 55.822 -1.759 19800 3813 1 15 . 1 1 20 20 ASP CB C 20 41.753 41.753 40.300 1.453 19800 3814 1 15 . 1 1 21 21 LYS N N 21 121.556 121.556 120.063 1.493 19800 3815 1 15 . 1 1 21 21 LYS HA H 21 4.493 4.493 4.621 -0.128 19800 3816 1 15 . 1 1 21 21 LYS C C 21 175.887 175.887 175.360 0.527 19800 3817 1 15 . 1 1 21 21 LYS CA C 21 54.395 54.395 54.185 0.210 19800 3818 1 15 . 1 1 21 21 LYS CB C 21 35.006 35.006 34.723 0.283 19800 3819 1 15 . 1 1 22 22 ASP N N 22 123.097 123.097 125.791 -2.694 19800 3820 1 15 . 1 1 22 22 ASP HA H 22 4.558 4.558 4.581 -0.023 19800 3821 1 15 . 1 1 22 22 ASP C C 22 175.402 175.402 176.140 -0.738 19800 3822 1 15 . 1 1 22 22 ASP CA C 22 55.514 55.514 55.507 0.007 19800 3823 1 15 . 1 1 22 22 ASP CB C 22 40.854 40.854 40.634 0.220 19800 3824 1 15 . 1 1 23 23 LEU N N 23 126.265 126.265 125.107 1.158 19800 3825 1 15 . 1 1 23 23 LEU HA H 23 4.680 4.680 4.508 0.172 19800 3826 1 15 . 1 1 23 23 LEU C C 23 176.338 176.338 176.138 0.200 19800 3827 1 15 . 1 1 23 23 LEU CA C 23 56.204 56.204 55.929 0.275 19800 3828 1 15 . 1 1 23 23 LEU CB C 23 45.211 45.211 43.532 1.679 19800 3829 1 15 . 1 1 24 24 LEU N N 24 114.484 114.484 118.701 -4.217 19800 3830 1 15 . 1 1 24 24 LEU HA H 24 4.789 4.789 4.578 0.211 19800 3831 1 15 . 1 1 24 24 LEU C C 24 174.976 174.976 175.030 -0.054 19800 3832 1 15 . 1 1 24 24 LEU CA C 24 53.674 53.674 53.866 -0.192 19800 3833 1 15 . 1 1 24 24 LEU CB C 24 49.345 49.345 43.799 5.546 19800 3834 1 15 . 1 1 25 25 LYS N N 25 118.529 118.529 121.898 -3.369 19800 3835 1 15 . 1 1 25 25 LYS HA H 25 4.994 4.994 4.749 0.245 19800 3836 1 15 . 1 1 25 25 LYS C C 25 176.242 176.242 177.409 -1.167 19800 3837 1 15 . 1 1 25 25 LYS CA C 25 55.210 55.210 55.312 -0.102 19800 3838 1 15 . 1 1 25 25 LYS CB C 25 35.992 35.992 32.658 3.334 19800 3839 1 15 . 1 1 26 26 GLY N N 26 107.756 107.756 112.827 -5.071 19800 3840 1 15 . 1 1 26 26 GLY C C 26 176.034 176.034 174.116 1.918 19800 3841 1 15 . 1 1 26 26 GLY CA C 26 46.394 46.394 45.719 0.675 19800 3842 1 15 . 1 1 27 27 LEU N N 27 120.147 120.147 122.430 -2.283 19800 3843 1 15 . 1 1 27 27 LEU HA H 27 4.601 4.601 4.379 0.222 19800 3844 1 15 . 1 1 27 27 LEU C C 27 179.874 179.874 176.455 3.419 19800 3845 1 15 . 1 1 27 27 LEU CA C 27 54.325 54.325 55.615 -1.290 19800 3846 1 15 . 1 1 27 27 LEU CB C 27 43.622 43.622 41.993 1.629 19800 3847 1 15 . 1 1 28 28 ASP N N 28 119.966 119.966 122.947 -2.981 19800 3848 1 15 . 1 1 28 28 ASP HA H 28 5.096 5.096 5.060 0.036 19800 3849 1 15 . 1 1 28 28 ASP C C 28 177.406 177.406 176.701 0.705 19800 3850 1 15 . 1 1 28 28 ASP CA C 28 52.835 52.835 53.482 -0.647 19800 3851 1 15 . 1 1 28 28 ASP CB C 28 41.180 41.180 43.738 -2.558 19800 3852 1 15 . 1 1 29 29 GLN N N 29 118.219 118.219 119.840 -1.621 19800 3853 1 15 . 1 1 29 29 GLN HA H 29 2.969 2.969 3.927 -0.958 19800 3854 1 15 . 1 1 29 29 GLN C C 29 178.379 178.379 177.454 0.925 19800 3855 1 15 . 1 1 29 29 GLN CA C 29 59.978 59.978 58.133 1.845 19800 3856 1 15 . 1 1 29 29 GLN CB C 29 28.897 28.897 28.128 0.769 19800 3857 1 15 . 1 1 30 30 GLU N N 30 118.429 118.429 119.781 -1.352 19800 3858 1 15 . 1 1 30 30 GLU HA H 30 3.986 3.986 3.967 0.019 19800 3859 1 15 . 1 1 30 30 GLU C C 30 182.812 182.812 178.763 4.049 19800 3860 1 15 . 1 1 30 30 GLU CA C 30 59.730 59.730 59.049 0.681 19800 3861 1 15 . 1 1 30 30 GLU CB C 30 28.936 28.936 29.010 -0.074 19800 3862 1 15 . 1 1 31 31 GLN N N 31 120.672 120.672 117.855 2.817 19800 3863 1 15 . 1 1 31 31 GLN HA H 31 4.068 4.068 4.275 -0.207 19800 3864 1 15 . 1 1 31 31 GLN C C 31 180.864 180.864 178.132 2.732 19800 3865 1 15 . 1 1 31 31 GLN CA C 31 58.612 58.612 57.892 0.720 19800 3866 1 15 . 1 1 31 31 GLN CB C 31 29.844 29.844 29.260 0.584 19800 3867 1 15 . 1 1 32 32 ALA N N 32 120.200 120.200 122.417 -2.217 19800 3868 1 15 . 1 1 32 32 ALA HA H 32 3.771 3.771 3.894 -0.123 19800 3869 1 15 . 1 1 32 32 ALA C C 32 180.339 180.339 178.562 1.777 19800 3870 1 15 . 1 1 32 32 ALA CA C 32 55.122 55.122 54.834 0.288 19800 3871 1 15 . 1 1 32 32 ALA CB C 32 17.289 17.289 18.103 -0.814 19800 3872 1 15 . 1 1 33 33 ASN N N 33 115.507 115.507 117.161 -1.654 19800 3873 1 15 . 1 1 33 33 ASN HA H 33 4.292 4.292 4.348 -0.056 19800 3874 1 15 . 1 1 33 33 ASN C C 33 180.713 180.713 177.504 3.209 19800 3875 1 15 . 1 1 33 33 ASN CA C 33 55.479 55.479 56.893 -1.414 19800 3876 1 15 . 1 1 33 33 ASN CB C 33 37.104 37.104 38.315 -1.211 19800 3877 1 15 . 1 1 34 34 GLU N N 34 122.826 122.826 119.609 3.217 19800 3878 1 15 . 1 1 34 34 GLU HA H 34 4.083 4.083 4.043 0.040 19800 3879 1 15 . 1 1 34 34 GLU C C 34 180.367 180.367 178.844 1.523 19800 3880 1 15 . 1 1 34 34 GLU CA C 34 59.486 59.486 58.683 0.803 19800 3881 1 15 . 1 1 34 34 GLU CB C 34 29.370 29.370 29.527 -0.157 19800 3882 1 15 . 1 1 35 35 VAL N N 35 119.909 119.909 120.219 -0.310 19800 3883 1 15 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.484 -0.111 19800 3884 1 15 . 1 1 35 35 VAL C C 35 179.502 179.502 177.763 1.739 19800 3885 1 15 . 1 1 35 35 VAL CA C 35 66.809 66.809 66.205 0.604 19800 3886 1 15 . 1 1 35 35 VAL CB C 35 31.000 31.000 31.859 -0.859 19800 3887 1 15 . 1 1 36 36 ILE N N 36 118.626 118.626 119.290 -0.664 19800 3888 1 15 . 1 1 36 36 ILE HA H 36 3.514 3.514 3.746 -0.232 19800 3889 1 15 . 1 1 36 36 ILE C C 36 180.436 180.436 176.875 3.561 19800 3890 1 15 . 1 1 36 36 ILE CA C 36 64.355 64.355 63.596 0.759 19800 3891 1 15 . 1 1 36 36 ILE CB C 36 36.534 36.534 37.918 -1.384 19800 3892 1 15 . 1 1 37 37 ALA N N 37 122.361 122.361 123.740 -1.379 19800 3893 1 15 . 1 1 37 37 ALA HA H 37 4.145 4.145 3.984 0.161 19800 3894 1 15 . 1 1 37 37 ALA C C 37 183.902 183.902 179.151 4.751 19800 3895 1 15 . 1 1 37 37 ALA CA C 37 55.433 55.433 55.177 0.256 19800 3896 1 15 . 1 1 37 37 ALA CB C 37 17.807 17.807 17.995 -0.188 19800 3897 1 15 . 1 1 38 38 VAL N N 38 120.987 120.987 118.222 2.765 19800 3898 1 15 . 1 1 38 38 VAL HA H 38 3.630 3.630 3.639 -0.009 19800 3899 1 15 . 1 1 38 38 VAL C C 38 180.529 180.529 177.397 3.132 19800 3900 1 15 . 1 1 38 38 VAL CA C 38 66.453 66.453 65.361 1.092 19800 3901 1 15 . 1 1 38 38 VAL CB C 38 31.763 31.763 32.002 -0.239 19800 3902 1 15 . 1 1 39 39 LEU N N 39 119.408 119.408 119.715 -0.307 19800 3903 1 15 . 1 1 39 39 LEU HA H 39 3.929 3.929 3.797 0.132 19800 3904 1 15 . 1 1 39 39 LEU C C 39 183.063 183.063 178.640 4.423 19800 3905 1 15 . 1 1 39 39 LEU CA C 39 58.544 58.544 58.256 0.288 19800 3906 1 15 . 1 1 39 39 LEU CB C 39 39.409 39.409 41.597 -2.188 19800 3907 1 15 . 1 1 40 40 GLN N N 40 121.514 121.514 119.358 2.156 19800 3908 1 15 . 1 1 40 40 GLN HA H 40 3.928 3.928 3.981 -0.053 19800 3909 1 15 . 1 1 40 40 GLN C C 40 183.366 183.366 178.847 4.519 19800 3910 1 15 . 1 1 40 40 GLN CA C 40 59.324 59.324 58.627 0.697 19800 3911 1 15 . 1 1 40 40 GLN CB C 40 28.254 28.254 28.764 -0.510 19800 3912 1 15 . 1 1 41 41 MET N N 41 119.672 119.672 116.583 3.089 19800 3913 1 15 . 1 1 41 41 MET HA H 41 4.032 4.032 4.156 -0.124 19800 3914 1 15 . 1 1 41 41 MET C C 41 177.125 177.125 176.757 0.368 19800 3915 1 15 . 1 1 41 41 MET CA C 41 57.763 57.763 57.144 0.619 19800 3916 1 15 . 1 1 41 41 MET CB C 41 31.579 31.579 32.625 -1.046 19800 3917 1 15 . 1 1 42 42 HIS N N 42 115.329 115.329 115.617 -0.288 19800 3918 1 15 . 1 1 42 42 HIS HA H 42 4.371 4.371 4.494 -0.123 19800 3919 1 15 . 1 1 42 42 HIS C C 42 171.216 171.216 174.329 -3.113 19800 3920 1 15 . 1 1 42 42 HIS CA C 42 54.601 54.601 55.677 -1.076 19800 3921 1 15 . 1 1 42 42 HIS CB C 42 27.399 27.399 29.129 -1.730 19800 3922 1 15 . 1 1 43 43 ASN N N 43 112.995 112.995 116.023 -3.028 19800 3923 1 15 . 1 1 43 43 ASN HA H 43 4.293 4.293 4.256 0.037 19800 3924 1 15 . 1 1 43 43 ASN C C 43 173.011 173.011 174.315 -1.304 19800 3925 1 15 . 1 1 43 43 ASN CA C 43 54.571 54.571 54.490 0.080 19800 3926 1 15 . 1 1 43 43 ASN CB C 43 36.981 36.981 37.628 -0.647 19800 3927 1 15 . 1 1 44 44 ILE N N 44 120.077 120.077 119.430 0.647 19800 3928 1 15 . 1 1 44 44 ILE HA H 44 4.225 4.225 4.354 -0.129 19800 3929 1 15 . 1 1 44 44 ILE C C 44 174.630 174.630 175.043 -0.413 19800 3930 1 15 . 1 1 44 44 ILE CA C 44 60.469 60.469 60.322 0.148 19800 3931 1 15 . 1 1 44 44 ILE CB C 44 39.933 39.933 39.558 0.375 19800 3932 1 15 . 1 1 45 45 GLU N N 45 129.083 129.083 126.186 2.897 19800 3933 1 15 . 1 1 45 45 GLU HA H 45 4.144 4.144 4.322 -0.178 19800 3934 1 15 . 1 1 45 45 GLU C C 45 174.368 174.368 175.314 -0.946 19800 3935 1 15 . 1 1 45 45 GLU CA C 45 56.121 56.121 56.617 -0.496 19800 3936 1 15 . 1 1 45 45 GLU CB C 45 29.979 29.979 30.240 -0.261 19800 3937 1 15 . 1 1 46 46 ALA N N 46 127.014 127.014 127.079 -0.065 19800 3938 1 15 . 1 1 46 46 ALA HA H 46 5.087 5.087 4.632 0.455 19800 3939 1 15 . 1 1 46 46 ALA C C 46 175.515 175.515 175.737 -0.222 19800 3940 1 15 . 1 1 46 46 ALA CA C 46 50.426 50.426 51.242 -0.816 19800 3941 1 15 . 1 1 46 46 ALA CB C 46 23.581 23.581 21.549 2.032 19800 3942 1 15 . 1 1 47 47 ASN N N 47 117.293 117.293 121.770 -4.477 19800 3943 1 15 . 1 1 47 47 ASN HA H 47 5.059 5.059 4.942 0.117 19800 3944 1 15 . 1 1 47 47 ASN C C 47 172.618 172.618 174.182 -1.564 19800 3945 1 15 . 1 1 47 47 ASN CA C 47 51.733 51.733 52.461 -0.728 19800 3946 1 15 . 1 1 47 47 ASN CB C 47 41.163 41.163 41.289 -0.126 19800 3947 1 15 . 1 1 48 48 LYS N N 48 121.209 121.209 123.396 -2.187 19800 3948 1 15 . 1 1 48 48 LYS HA H 48 5.302 5.302 4.574 0.728 19800 3949 1 15 . 1 1 48 48 LYS C C 48 175.186 175.186 175.808 -0.622 19800 3950 1 15 . 1 1 48 48 LYS CA C 48 54.377 54.377 55.824 -1.447 19800 3951 1 15 . 1 1 48 48 LYS CB C 48 34.817 34.817 33.471 1.346 19800 3952 1 15 . 1 1 49 49 ILE N N 49 127.508 127.508 124.241 3.267 19800 3953 1 15 . 1 1 49 49 ILE HA H 49 4.335 4.335 4.672 -0.337 19800 3954 1 15 . 1 1 49 49 ILE C C 49 175.247 175.247 174.011 1.236 19800 3955 1 15 . 1 1 49 49 ILE CA C 49 59.683 59.683 60.125 -0.442 19800 3956 1 15 . 1 1 49 49 ILE CB C 49 39.941 39.941 39.970 -0.029 19800 3957 1 15 . 1 1 50 50 ASP N N 50 127.775 127.775 125.958 1.817 19800 3958 1 15 . 1 1 50 50 ASP HA H 50 3.854 3.854 5.397 -1.543 19800 3959 1 15 . 1 1 50 50 ASP C C 50 177.327 177.327 175.572 1.755 19800 3960 1 15 . 1 1 50 50 ASP CA C 50 53.639 53.639 52.375 1.264 19800 3961 1 15 . 1 1 50 50 ASP CB C 50 40.857 40.857 42.877 -2.020 19800 3962 1 15 . 1 1 51 51 SER N N 51 123.948 123.948 116.720 7.228 19800 3963 1 15 . 1 1 51 51 SER HA H 51 4.660 4.660 4.633 0.027 19800 3964 1 15 . 1 1 51 51 SER C C 51 177.258 177.258 175.319 1.939 19800 3965 1 15 . 1 1 51 51 SER CA C 51 57.111 57.111 57.316 -0.205 19800 3966 1 15 . 1 1 51 51 SER CB C 51 63.271 63.271 65.477 -2.206 19800 3967 1 15 . 1 1 52 52 GLY N N 52 112.626 112.626 112.094 0.532 19800 3968 1 15 . 1 1 52 52 GLY C C 52 178.261 178.261 174.870 3.391 19800 3969 1 15 . 1 1 52 52 GLY CA C 52 46.450 46.450 47.196 -0.746 19800 3970 1 15 . 1 1 53 53 LYS HA H 53 4.119 4.119 4.301 -0.182 19800 3971 1 15 . 1 1 53 53 LYS C C 53 178.526 178.526 176.244 2.282 19800 3972 1 15 . 1 1 53 53 LYS CA C 53 58.349 58.349 56.812 1.537 19800 3973 1 15 . 1 1 53 53 LYS CB C 53 32.038 32.038 31.665 0.373 19800 3974 1 15 . 1 1 54 54 LEU N N 54 117.133 117.133 120.442 -3.309 19800 3975 1 15 . 1 1 54 54 LEU HA H 54 4.309 4.309 4.465 -0.156 19800 3976 1 15 . 1 1 54 54 LEU C C 54 178.832 178.832 176.652 2.180 19800 3977 1 15 . 1 1 54 54 LEU CA C 54 54.958 54.958 54.925 0.033 19800 3978 1 15 . 1 1 54 54 LEU CB C 54 41.155 41.155 44.673 -3.518 19800 3979 1 15 . 1 1 55 55 GLY N N 55 106.946 106.946 106.984 -0.038 19800 3980 1 15 . 1 1 55 55 GLY C C 55 172.511 172.511 172.347 0.164 19800 3981 1 15 . 1 1 55 55 GLY CA C 55 44.519 44.519 44.845 -0.326 19800 3982 1 15 . 1 1 56 56 TYR N N 56 119.500 119.500 121.941 -2.441 19800 3983 1 15 . 1 1 56 56 TYR HA H 56 5.267 5.267 5.210 0.057 19800 3984 1 15 . 1 1 56 56 TYR C C 56 177.412 177.412 175.112 2.300 19800 3985 1 15 . 1 1 56 56 TYR CA C 56 57.986 57.986 57.429 0.557 19800 3986 1 15 . 1 1 56 56 TYR CB C 56 40.838 40.838 41.030 -0.192 19800 3987 1 15 . 1 1 57 57 SER N N 57 114.460 114.460 117.874 -3.414 19800 3988 1 15 . 1 1 57 57 SER HA H 57 5.386 5.386 4.847 0.539 19800 3989 1 15 . 1 1 57 57 SER C C 57 171.818 171.818 172.924 -1.106 19800 3990 1 15 . 1 1 57 57 SER CA C 57 55.817 55.817 56.822 -1.004 19800 3991 1 15 . 1 1 57 57 SER CB C 57 65.566 65.566 66.839 -1.273 19800 3992 1 15 . 1 1 58 58 ILE N N 58 121.240 121.240 122.807 -1.567 19800 3993 1 15 . 1 1 58 58 ILE HA H 58 5.538 5.538 4.940 0.598 19800 3994 1 15 . 1 1 58 58 ILE C C 58 176.822 176.822 175.948 0.874 19800 3995 1 15 . 1 1 58 58 ILE CA C 58 57.040 57.040 59.193 -2.153 19800 3996 1 15 . 1 1 58 58 ILE CB C 58 39.157 39.157 37.360 1.797 19800 3997 1 15 . 1 1 59 59 THR N N 59 118.505 118.505 122.513 -4.008 19800 3998 1 15 . 1 1 59 59 THR HA H 59 5.435 5.435 4.570 0.865 19800 3999 1 15 . 1 1 59 59 THR C C 59 172.703 172.703 173.699 -0.996 19800 4000 1 15 . 1 1 59 59 THR CA C 59 58.889 58.889 60.585 -1.696 19800 4001 1 15 . 1 1 59 59 THR CB C 59 71.574 71.574 70.380 1.194 19800 4002 1 15 . 1 1 60 60 VAL N N 60 111.299 111.299 118.990 -7.691 19800 4003 1 15 . 1 1 60 60 VAL HA H 60 4.787 4.787 4.478 0.309 19800 4004 1 15 . 1 1 60 60 VAL C C 60 173.802 173.802 174.494 -0.692 19800 4005 1 15 . 1 1 60 60 VAL CA C 60 58.594 58.594 58.585 0.009 19800 4006 1 15 . 1 1 60 60 VAL CB C 60 36.560 36.560 35.337 1.223 19800 4007 1 15 . 1 1 61 61 ALA N N 61 125.688 125.688 122.191 3.497 19800 4008 1 15 . 1 1 61 61 ALA HA H 61 4.678 4.678 4.352 0.326 19800 4009 1 15 . 1 1 61 61 ALA C C 61 182.244 182.244 178.955 3.289 19800 4010 1 15 . 1 1 61 61 ALA CA C 61 52.304 52.304 52.109 0.195 19800 4011 1 15 . 1 1 61 61 ALA CB C 61 19.742 19.742 19.564 0.178 19800 4012 1 15 . 1 1 62 62 GLU N N 62 122.612 122.612 121.382 1.230 19800 4013 1 15 . 1 1 62 62 GLU HA H 62 3.970 3.970 4.126 -0.156 19800 4014 1 15 . 1 1 62 62 GLU C C 62 175.922 175.922 176.976 -1.054 19800 4015 1 15 . 1 1 62 62 GLU CA C 62 62.328 62.328 60.849 1.479 19800 4016 1 15 . 1 1 62 62 GLU CB C 62 27.421 27.421 27.410 0.011 19800 4017 1 15 . 1 1 63 63 PRO HA H 63 4.486 4.486 4.347 0.139 19800 4018 1 15 . 1 1 63 63 PRO C C 63 178.721 178.721 177.335 1.386 19800 4019 1 15 . 1 1 63 63 PRO CA C 63 65.517 65.517 64.901 0.616 19800 4020 1 15 . 1 1 63 63 PRO CB C 63 31.124 31.124 31.441 -0.317 19800 4021 1 15 . 1 1 64 64 ASP N N 64 115.002 115.002 116.830 -1.828 19800 4022 1 15 . 1 1 64 64 ASP HA H 64 4.994 4.994 4.789 0.205 19800 4023 1 15 . 1 1 64 64 ASP C C 64 176.565 176.565 176.690 -0.125 19800 4024 1 15 . 1 1 64 64 ASP CA C 64 54.701 54.701 54.768 -0.067 19800 4025 1 15 . 1 1 64 64 ASP CB C 64 43.082 43.082 41.534 1.548 19800 4026 1 15 . 1 1 65 65 PHE N N 65 122.010 122.010 121.810 0.200 19800 4027 1 15 . 1 1 65 65 PHE HA H 65 3.926 3.926 4.096 -0.170 19800 4028 1 15 . 1 1 65 65 PHE C C 65 175.918 175.918 176.662 -0.744 19800 4029 1 15 . 1 1 65 65 PHE CA C 65 63.611 63.611 62.551 1.060 19800 4030 1 15 . 1 1 65 65 PHE CB C 65 40.354 40.354 39.194 1.160 19800 4031 1 15 . 1 1 66 66 THR N N 66 112.195 112.195 113.110 -0.915 19800 4032 1 15 . 1 1 66 66 THR HA H 66 3.660 3.660 3.893 -0.233 19800 4033 1 15 . 1 1 66 66 THR C C 66 178.106 178.106 175.812 2.294 19800 4034 1 15 . 1 1 66 66 THR CA C 66 66.742 66.742 65.188 1.554 19800 4035 1 15 . 1 1 66 66 THR CB C 66 68.412 68.412 68.516 -0.104 19800 4036 1 15 . 1 1 67 67 ALA N N 67 124.955 124.955 123.092 1.863 19800 4037 1 15 . 1 1 67 67 ALA HA H 67 4.044 4.044 3.841 0.203 19800 4038 1 15 . 1 1 67 67 ALA C C 67 180.268 180.268 178.516 1.752 19800 4039 1 15 . 1 1 67 67 ALA CA C 67 54.618 54.618 54.245 0.374 19800 4040 1 15 . 1 1 67 67 ALA CB C 67 18.408 18.408 18.029 0.379 19800 4041 1 15 . 1 1 68 68 ALA N N 68 119.593 119.593 121.816 -2.223 19800 4042 1 15 . 1 1 68 68 ALA HA H 68 3.966 3.966 3.912 0.054 19800 4043 1 15 . 1 1 68 68 ALA C C 68 181.033 181.033 179.194 1.839 19800 4044 1 15 . 1 1 68 68 ALA CA C 68 55.623 55.623 55.249 0.374 19800 4045 1 15 . 1 1 68 68 ALA CB C 68 19.802 19.802 18.289 1.513 19800 4046 1 15 . 1 1 69 69 VAL N N 69 115.582 115.582 117.571 -1.989 19800 4047 1 15 . 1 1 69 69 VAL HA H 69 3.257 3.257 3.558 -0.301 19800 4048 1 15 . 1 1 69 69 VAL C C 69 179.000 179.000 177.741 1.259 19800 4049 1 15 . 1 1 69 69 VAL CA C 69 66.077 66.077 66.142 -0.065 19800 4050 1 15 . 1 1 69 69 VAL CB C 69 31.684 31.684 30.618 1.066 19800 4051 1 15 . 1 1 70 70 TYR N N 70 118.722 118.722 121.158 -2.436 19800 4052 1 15 . 1 1 70 70 TYR HA H 70 3.805 3.805 3.984 -0.179 19800 4053 1 15 . 1 1 70 70 TYR C C 70 180.084 180.084 177.475 2.609 19800 4054 1 15 . 1 1 70 70 TYR CA C 70 61.459 61.459 61.071 0.389 19800 4055 1 15 . 1 1 70 70 TYR CB C 70 37.712 37.712 37.732 -0.020 19800 4056 1 15 . 1 1 71 71 TRP N N 71 117.180 117.180 118.089 -0.909 19800 4057 1 15 . 1 1 71 71 TRP HA H 71 4.482 4.482 4.072 0.410 19800 4058 1 15 . 1 1 71 71 TRP C C 71 180.643 180.643 179.185 1.458 19800 4059 1 15 . 1 1 71 71 TRP CA C 71 58.833 58.833 58.147 0.686 19800 4060 1 15 . 1 1 71 71 TRP CB C 71 30.133 30.133 29.555 0.578 19800 4061 1 15 . 1 1 72 72 ILE N N 72 113.422 113.422 118.916 -5.494 19800 4062 1 15 . 1 1 72 72 ILE HA H 72 4.452 4.452 3.802 0.650 19800 4063 1 15 . 1 1 72 72 ILE C C 72 178.490 178.490 178.624 -0.134 19800 4064 1 15 . 1 1 72 72 ILE CA C 72 61.563 61.563 62.677 -1.114 19800 4065 1 15 . 1 1 72 72 ILE CB C 72 37.491 37.491 36.446 1.045 19800 4066 1 15 . 1 1 73 73 LYS N N 73 120.911 120.911 120.739 0.172 19800 4067 1 15 . 1 1 73 73 LYS HA H 73 4.177 4.177 4.099 0.078 19800 4068 1 15 . 1 1 73 73 LYS C C 73 179.460 179.460 178.461 0.999 19800 4069 1 15 . 1 1 73 73 LYS CA C 73 58.310 58.310 59.785 -1.475 19800 4070 1 15 . 1 1 73 73 LYS CB C 73 32.247 32.247 32.345 -0.098 19800 4071 1 15 . 1 1 74 74 THR N N 74 110.017 110.017 112.448 -2.431 19800 4072 1 15 . 1 1 74 74 THR HA H 74 4.140 4.140 4.235 -0.095 19800 4073 1 15 . 1 1 74 74 THR C C 74 174.574 174.574 175.161 -0.587 19800 4074 1 15 . 1 1 74 74 THR CA C 74 63.019 63.019 63.946 -0.927 19800 4075 1 15 . 1 1 74 74 THR CB C 74 69.394 69.394 68.191 1.203 19800 4076 1 15 . 1 1 75 75 TYR N N 75 122.005 122.005 121.618 0.387 19800 4077 1 15 . 1 1 75 75 TYR HA H 75 4.468 4.468 4.544 -0.076 19800 4078 1 15 . 1 1 75 75 TYR C C 75 174.634 174.634 175.455 -0.821 19800 4079 1 15 . 1 1 75 75 TYR CA C 75 58.964 58.964 59.069 -0.104 19800 4080 1 15 . 1 1 75 75 TYR CB C 75 38.945 38.945 39.296 -0.351 19800 4081 1 16 . 1 1 20 20 ASP N N 20 121.855 121.855 121.964 -0.109 19800 4082 1 16 . 1 1 20 20 ASP HA H 20 4.824 4.824 4.516 0.308 19800 4083 1 16 . 1 1 20 20 ASP C C 20 176.378 176.378 176.061 0.317 19800 4084 1 16 . 1 1 20 20 ASP CA C 20 54.063 54.063 54.061 0.002 19800 4085 1 16 . 1 1 20 20 ASP CB C 20 41.753 41.753 39.682 2.071 19800 4086 1 16 . 1 1 21 21 LYS N N 21 121.556 121.556 123.134 -1.578 19800 4087 1 16 . 1 1 21 21 LYS HA H 21 4.493 4.493 4.459 0.034 19800 4088 1 16 . 1 1 21 21 LYS C C 21 175.887 175.887 175.689 0.198 19800 4089 1 16 . 1 1 21 21 LYS CA C 21 54.395 54.395 53.997 0.398 19800 4090 1 16 . 1 1 21 21 LYS CB C 21 35.006 35.006 34.871 0.135 19800 4091 1 16 . 1 1 22 22 ASP N N 22 123.097 123.097 123.746 -0.649 19800 4092 1 16 . 1 1 22 22 ASP HA H 22 4.558 4.558 4.598 -0.040 19800 4093 1 16 . 1 1 22 22 ASP C C 22 175.402 175.402 175.467 -0.065 19800 4094 1 16 . 1 1 22 22 ASP CA C 22 55.514 55.514 54.051 1.463 19800 4095 1 16 . 1 1 22 22 ASP CB C 22 40.854 40.854 40.420 0.434 19800 4096 1 16 . 1 1 23 23 LEU N N 23 126.265 126.265 124.300 1.965 19800 4097 1 16 . 1 1 23 23 LEU HA H 23 4.680 4.680 4.429 0.251 19800 4098 1 16 . 1 1 23 23 LEU C C 23 176.338 176.338 175.783 0.555 19800 4099 1 16 . 1 1 23 23 LEU CA C 23 56.204 56.204 56.452 -0.248 19800 4100 1 16 . 1 1 23 23 LEU CB C 23 45.211 45.211 43.148 2.063 19800 4101 1 16 . 1 1 24 24 LEU N N 24 114.484 114.484 116.767 -2.283 19800 4102 1 16 . 1 1 24 24 LEU HA H 24 4.789 4.789 4.623 0.166 19800 4103 1 16 . 1 1 24 24 LEU C C 24 174.976 174.976 174.986 -0.010 19800 4104 1 16 . 1 1 24 24 LEU CA C 24 53.674 53.674 53.539 0.135 19800 4105 1 16 . 1 1 24 24 LEU CB C 24 49.345 49.345 45.065 4.280 19800 4106 1 16 . 1 1 25 25 LYS N N 25 118.529 118.529 120.508 -1.979 19800 4107 1 16 . 1 1 25 25 LYS HA H 25 4.994 4.994 4.447 0.547 19800 4108 1 16 . 1 1 25 25 LYS C C 25 176.242 176.242 176.404 -0.162 19800 4109 1 16 . 1 1 25 25 LYS CA C 25 55.210 55.210 55.571 -0.361 19800 4110 1 16 . 1 1 25 25 LYS CB C 25 35.992 35.992 33.485 2.507 19800 4111 1 16 . 1 1 26 26 GLY N N 26 107.756 107.756 112.447 -4.691 19800 4112 1 16 . 1 1 26 26 GLY C C 26 176.034 176.034 173.586 2.448 19800 4113 1 16 . 1 1 26 26 GLY CA C 26 46.394 46.394 45.419 0.975 19800 4114 1 16 . 1 1 27 27 LEU N N 27 120.147 120.147 120.134 0.013 19800 4115 1 16 . 1 1 27 27 LEU HA H 27 4.601 4.601 4.790 -0.189 19800 4116 1 16 . 1 1 27 27 LEU C C 27 179.874 179.874 175.418 4.456 19800 4117 1 16 . 1 1 27 27 LEU CA C 27 54.325 54.325 54.120 0.205 19800 4118 1 16 . 1 1 27 27 LEU CB C 27 43.622 43.622 44.551 -0.929 19800 4119 1 16 . 1 1 28 28 ASP N N 28 119.966 119.966 120.233 -0.267 19800 4120 1 16 . 1 1 28 28 ASP HA H 28 5.096 5.096 4.998 0.098 19800 4121 1 16 . 1 1 28 28 ASP C C 28 177.406 177.406 177.364 0.042 19800 4122 1 16 . 1 1 28 28 ASP CA C 28 52.835 52.835 53.572 -0.737 19800 4123 1 16 . 1 1 28 28 ASP CB C 28 41.180 41.180 42.801 -1.621 19800 4124 1 16 . 1 1 29 29 GLN N N 29 118.219 118.219 118.885 -0.666 19800 4125 1 16 . 1 1 29 29 GLN HA H 29 2.969 2.969 3.895 -0.926 19800 4126 1 16 . 1 1 29 29 GLN C C 29 178.379 178.379 177.887 0.492 19800 4127 1 16 . 1 1 29 29 GLN CA C 29 59.978 59.978 58.733 1.245 19800 4128 1 16 . 1 1 29 29 GLN CB C 29 28.897 28.897 28.433 0.464 19800 4129 1 16 . 1 1 30 30 GLU N N 30 118.429 118.429 118.828 -0.399 19800 4130 1 16 . 1 1 30 30 GLU HA H 30 3.986 3.986 4.072 -0.086 19800 4131 1 16 . 1 1 30 30 GLU C C 30 182.812 182.812 179.215 3.597 19800 4132 1 16 . 1 1 30 30 GLU CA C 30 59.730 59.730 59.612 0.118 19800 4133 1 16 . 1 1 30 30 GLU CB C 30 28.936 28.936 28.995 -0.059 19800 4134 1 16 . 1 1 31 31 GLN N N 31 120.672 120.672 117.830 2.842 19800 4135 1 16 . 1 1 31 31 GLN HA H 31 4.068 4.068 4.102 -0.034 19800 4136 1 16 . 1 1 31 31 GLN C C 31 180.864 180.864 177.977 2.887 19800 4137 1 16 . 1 1 31 31 GLN CA C 31 58.612 58.612 58.421 0.191 19800 4138 1 16 . 1 1 31 31 GLN CB C 31 29.844 29.844 27.956 1.888 19800 4139 1 16 . 1 1 32 32 ALA N N 32 120.200 120.200 122.272 -2.072 19800 4140 1 16 . 1 1 32 32 ALA HA H 32 3.771 3.771 4.032 -0.261 19800 4141 1 16 . 1 1 32 32 ALA C C 32 180.339 180.339 178.879 1.460 19800 4142 1 16 . 1 1 32 32 ALA CA C 32 55.122 55.122 54.449 0.673 19800 4143 1 16 . 1 1 32 32 ALA CB C 32 17.289 17.289 18.139 -0.850 19800 4144 1 16 . 1 1 33 33 ASN N N 33 115.507 115.507 116.644 -1.137 19800 4145 1 16 . 1 1 33 33 ASN HA H 33 4.292 4.292 4.403 -0.111 19800 4146 1 16 . 1 1 33 33 ASN C C 33 180.713 180.713 177.239 3.474 19800 4147 1 16 . 1 1 33 33 ASN CA C 33 55.479 55.479 56.842 -1.363 19800 4148 1 16 . 1 1 33 33 ASN CB C 33 37.104 37.104 38.399 -1.295 19800 4149 1 16 . 1 1 34 34 GLU N N 34 122.826 122.826 119.837 2.989 19800 4150 1 16 . 1 1 34 34 GLU HA H 34 4.083 4.083 4.123 -0.040 19800 4151 1 16 . 1 1 34 34 GLU C C 34 180.367 180.367 179.056 1.311 19800 4152 1 16 . 1 1 34 34 GLU CA C 34 59.486 59.486 59.003 0.483 19800 4153 1 16 . 1 1 34 34 GLU CB C 34 29.370 29.370 29.332 0.038 19800 4154 1 16 . 1 1 35 35 VAL N N 35 119.909 119.909 119.824 0.085 19800 4155 1 16 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.690 -0.317 19800 4156 1 16 . 1 1 35 35 VAL C C 35 179.502 179.502 178.569 0.933 19800 4157 1 16 . 1 1 35 35 VAL CA C 35 66.809 66.809 65.853 0.956 19800 4158 1 16 . 1 1 35 35 VAL CB C 35 31.000 31.000 31.513 -0.513 19800 4159 1 16 . 1 1 36 36 ILE N N 36 118.626 118.626 120.413 -1.787 19800 4160 1 16 . 1 1 36 36 ILE HA H 36 3.514 3.514 3.700 -0.186 19800 4161 1 16 . 1 1 36 36 ILE C C 36 180.436 180.436 176.859 3.577 19800 4162 1 16 . 1 1 36 36 ILE CA C 36 64.355 64.355 64.172 0.183 19800 4163 1 16 . 1 1 36 36 ILE CB C 36 36.534 36.534 37.555 -1.021 19800 4164 1 16 . 1 1 37 37 ALA N N 37 122.361 122.361 123.132 -0.771 19800 4165 1 16 . 1 1 37 37 ALA HA H 37 4.145 4.145 4.015 0.130 19800 4166 1 16 . 1 1 37 37 ALA C C 37 183.902 183.902 179.168 4.734 19800 4167 1 16 . 1 1 37 37 ALA CA C 37 55.433 55.433 55.228 0.204 19800 4168 1 16 . 1 1 37 37 ALA CB C 37 17.807 17.807 17.977 -0.170 19800 4169 1 16 . 1 1 38 38 VAL N N 38 120.987 120.987 118.982 2.005 19800 4170 1 16 . 1 1 38 38 VAL HA H 38 3.630 3.630 3.744 -0.114 19800 4171 1 16 . 1 1 38 38 VAL C C 38 180.529 180.529 177.587 2.942 19800 4172 1 16 . 1 1 38 38 VAL CA C 38 66.453 66.453 65.231 1.222 19800 4173 1 16 . 1 1 38 38 VAL CB C 38 31.763 31.763 32.000 -0.237 19800 4174 1 16 . 1 1 39 39 LEU N N 39 119.408 119.408 120.383 -0.975 19800 4175 1 16 . 1 1 39 39 LEU HA H 39 3.929 3.929 4.046 -0.117 19800 4176 1 16 . 1 1 39 39 LEU C C 39 183.063 183.063 178.858 4.205 19800 4177 1 16 . 1 1 39 39 LEU CA C 39 58.544 58.544 57.248 1.296 19800 4178 1 16 . 1 1 39 39 LEU CB C 39 39.409 39.409 40.306 -0.897 19800 4179 1 16 . 1 1 40 40 GLN N N 40 121.514 121.514 119.567 1.947 19800 4180 1 16 . 1 1 40 40 GLN HA H 40 3.928 3.928 3.982 -0.054 19800 4181 1 16 . 1 1 40 40 GLN C C 40 183.366 183.366 179.232 4.134 19800 4182 1 16 . 1 1 40 40 GLN CA C 40 59.324 59.324 58.844 0.480 19800 4183 1 16 . 1 1 40 40 GLN CB C 40 28.254 28.254 28.805 -0.551 19800 4184 1 16 . 1 1 41 41 MET N N 41 119.672 119.672 118.042 1.630 19800 4185 1 16 . 1 1 41 41 MET HA H 41 4.032 4.032 4.157 -0.125 19800 4186 1 16 . 1 1 41 41 MET C C 41 177.125 177.125 177.680 -0.555 19800 4187 1 16 . 1 1 41 41 MET CA C 41 57.763 57.763 57.773 -0.010 19800 4188 1 16 . 1 1 41 41 MET CB C 41 31.579 31.579 31.957 -0.378 19800 4189 1 16 . 1 1 42 42 HIS N N 42 115.329 115.329 113.970 1.359 19800 4190 1 16 . 1 1 42 42 HIS HA H 42 4.371 4.371 4.448 -0.077 19800 4191 1 16 . 1 1 42 42 HIS C C 42 171.216 171.216 174.236 -3.020 19800 4192 1 16 . 1 1 42 42 HIS CA C 42 54.601 54.601 56.341 -1.740 19800 4193 1 16 . 1 1 42 42 HIS CB C 42 27.399 27.399 29.691 -2.292 19800 4194 1 16 . 1 1 43 43 ASN N N 43 112.995 112.995 114.542 -1.547 19800 4195 1 16 . 1 1 43 43 ASN HA H 43 4.293 4.293 4.335 -0.042 19800 4196 1 16 . 1 1 43 43 ASN C C 43 173.011 173.011 174.391 -1.380 19800 4197 1 16 . 1 1 43 43 ASN CA C 43 54.571 54.571 54.242 0.329 19800 4198 1 16 . 1 1 43 43 ASN CB C 43 36.981 36.981 37.169 -0.188 19800 4199 1 16 . 1 1 44 44 ILE N N 44 120.077 120.077 120.128 -0.051 19800 4200 1 16 . 1 1 44 44 ILE HA H 44 4.225 4.225 4.286 -0.061 19800 4201 1 16 . 1 1 44 44 ILE C C 44 174.630 174.630 175.176 -0.546 19800 4202 1 16 . 1 1 44 44 ILE CA C 44 60.469 60.469 60.540 -0.071 19800 4203 1 16 . 1 1 44 44 ILE CB C 44 39.933 39.933 39.447 0.486 19800 4204 1 16 . 1 1 45 45 GLU N N 45 129.083 129.083 128.496 0.587 19800 4205 1 16 . 1 1 45 45 GLU HA H 45 4.144 4.144 4.256 -0.112 19800 4206 1 16 . 1 1 45 45 GLU C C 45 174.368 174.368 175.054 -0.686 19800 4207 1 16 . 1 1 45 45 GLU CA C 45 56.121 56.121 56.993 -0.872 19800 4208 1 16 . 1 1 45 45 GLU CB C 45 29.979 29.979 30.324 -0.345 19800 4209 1 16 . 1 1 46 46 ALA N N 46 127.014 127.014 127.822 -0.808 19800 4210 1 16 . 1 1 46 46 ALA HA H 46 5.087 5.087 4.982 0.105 19800 4211 1 16 . 1 1 46 46 ALA C C 46 175.515 175.515 176.339 -0.824 19800 4212 1 16 . 1 1 46 46 ALA CA C 46 50.426 50.426 50.660 -0.234 19800 4213 1 16 . 1 1 46 46 ALA CB C 46 23.581 23.581 21.254 2.327 19800 4214 1 16 . 1 1 47 47 ASN N N 47 117.293 117.293 120.845 -3.552 19800 4215 1 16 . 1 1 47 47 ASN HA H 47 5.059 5.059 5.098 -0.039 19800 4216 1 16 . 1 1 47 47 ASN C C 47 172.618 172.618 174.109 -1.491 19800 4217 1 16 . 1 1 47 47 ASN CA C 47 51.733 51.733 51.886 -0.153 19800 4218 1 16 . 1 1 47 47 ASN CB C 47 41.163 41.163 42.212 -1.049 19800 4219 1 16 . 1 1 48 48 LYS N N 48 121.209 121.209 120.911 0.298 19800 4220 1 16 . 1 1 48 48 LYS HA H 48 5.302 5.302 4.955 0.347 19800 4221 1 16 . 1 1 48 48 LYS C C 48 175.186 175.186 176.375 -1.189 19800 4222 1 16 . 1 1 48 48 LYS CA C 48 54.377 54.377 55.325 -0.948 19800 4223 1 16 . 1 1 48 48 LYS CB C 48 34.817 34.817 33.559 1.258 19800 4224 1 16 . 1 1 49 49 ILE N N 49 127.508 127.508 120.850 6.658 19800 4225 1 16 . 1 1 49 49 ILE HA H 49 4.335 4.335 4.534 -0.199 19800 4226 1 16 . 1 1 49 49 ILE C C 49 175.247 175.247 173.805 1.442 19800 4227 1 16 . 1 1 49 49 ILE CA C 49 59.683 59.683 59.964 -0.281 19800 4228 1 16 . 1 1 49 49 ILE CB C 49 39.941 39.941 39.093 0.848 19800 4229 1 16 . 1 1 50 50 ASP N N 50 127.775 127.775 128.092 -0.317 19800 4230 1 16 . 1 1 50 50 ASP HA H 50 3.854 3.854 5.485 -1.631 19800 4231 1 16 . 1 1 50 50 ASP C C 50 177.327 177.327 175.667 1.660 19800 4232 1 16 . 1 1 50 50 ASP CA C 50 53.639 53.639 53.085 0.554 19800 4233 1 16 . 1 1 50 50 ASP CB C 50 40.857 40.857 42.129 -1.272 19800 4234 1 16 . 1 1 51 51 SER N N 51 123.948 123.948 120.892 3.056 19800 4235 1 16 . 1 1 51 51 SER HA H 51 4.660 4.660 4.677 -0.017 19800 4236 1 16 . 1 1 51 51 SER C C 51 177.258 177.258 175.386 1.872 19800 4237 1 16 . 1 1 51 51 SER CA C 51 57.111 57.111 57.026 0.085 19800 4238 1 16 . 1 1 51 51 SER CB C 51 63.271 63.271 65.424 -2.152 19800 4239 1 16 . 1 1 52 52 GLY N N 52 112.626 112.626 110.874 1.752 19800 4240 1 16 . 1 1 52 52 GLY C C 52 178.261 178.261 174.661 3.600 19800 4241 1 16 . 1 1 52 52 GLY CA C 52 46.450 46.450 46.785 -0.335 19800 4242 1 16 . 1 1 53 53 LYS HA H 53 4.119 4.119 4.203 -0.084 19800 4243 1 16 . 1 1 53 53 LYS C C 53 178.526 178.526 176.437 2.089 19800 4244 1 16 . 1 1 53 53 LYS CA C 53 58.349 58.349 57.688 0.661 19800 4245 1 16 . 1 1 53 53 LYS CB C 53 32.038 32.038 31.716 0.322 19800 4246 1 16 . 1 1 54 54 LEU N N 54 117.133 117.133 119.470 -2.337 19800 4247 1 16 . 1 1 54 54 LEU HA H 54 4.309 4.309 4.435 -0.126 19800 4248 1 16 . 1 1 54 54 LEU C C 54 178.832 178.832 176.820 2.012 19800 4249 1 16 . 1 1 54 54 LEU CA C 54 54.958 54.958 54.895 0.063 19800 4250 1 16 . 1 1 54 54 LEU CB C 54 41.155 41.155 44.703 -3.548 19800 4251 1 16 . 1 1 55 55 GLY N N 55 106.946 106.946 106.888 0.058 19800 4252 1 16 . 1 1 55 55 GLY C C 55 172.511 172.511 172.679 -0.168 19800 4253 1 16 . 1 1 55 55 GLY CA C 55 44.519 44.519 44.977 -0.458 19800 4254 1 16 . 1 1 56 56 TYR N N 56 119.500 119.500 122.783 -3.283 19800 4255 1 16 . 1 1 56 56 TYR HA H 56 5.267 5.267 4.828 0.439 19800 4256 1 16 . 1 1 56 56 TYR C C 56 177.412 177.412 175.243 2.169 19800 4257 1 16 . 1 1 56 56 TYR CA C 56 57.986 57.986 57.868 0.117 19800 4258 1 16 . 1 1 56 56 TYR CB C 56 40.838 40.838 40.512 0.326 19800 4259 1 16 . 1 1 57 57 SER N N 57 114.460 114.460 117.361 -2.901 19800 4260 1 16 . 1 1 57 57 SER HA H 57 5.386 5.386 4.817 0.569 19800 4261 1 16 . 1 1 57 57 SER C C 57 171.818 171.818 172.798 -0.980 19800 4262 1 16 . 1 1 57 57 SER CA C 57 55.817 55.817 56.660 -0.843 19800 4263 1 16 . 1 1 57 57 SER CB C 57 65.566 65.566 66.781 -1.215 19800 4264 1 16 . 1 1 58 58 ILE N N 58 121.240 121.240 120.769 0.471 19800 4265 1 16 . 1 1 58 58 ILE HA H 58 5.538 5.538 5.076 0.462 19800 4266 1 16 . 1 1 58 58 ILE C C 58 176.822 176.822 175.592 1.230 19800 4267 1 16 . 1 1 58 58 ILE CA C 58 57.040 57.040 59.429 -2.389 19800 4268 1 16 . 1 1 58 58 ILE CB C 58 39.157 39.157 39.913 -0.756 19800 4269 1 16 . 1 1 59 59 THR N N 59 118.505 118.505 118.456 0.049 19800 4270 1 16 . 1 1 59 59 THR HA H 59 5.435 5.435 4.883 0.552 19800 4271 1 16 . 1 1 59 59 THR C C 59 172.703 172.703 172.712 -0.009 19800 4272 1 16 . 1 1 59 59 THR CA C 59 58.889 58.889 60.142 -1.253 19800 4273 1 16 . 1 1 59 59 THR CB C 59 71.574 71.574 71.193 0.381 19800 4274 1 16 . 1 1 60 60 VAL N N 60 111.299 111.299 118.249 -6.950 19800 4275 1 16 . 1 1 60 60 VAL HA H 60 4.787 4.787 5.003 -0.216 19800 4276 1 16 . 1 1 60 60 VAL C C 60 173.802 173.802 174.374 -0.572 19800 4277 1 16 . 1 1 60 60 VAL CA C 60 58.594 58.594 58.374 0.220 19800 4278 1 16 . 1 1 60 60 VAL CB C 60 36.560 36.560 35.121 1.439 19800 4279 1 16 . 1 1 61 61 ALA N N 61 125.688 125.688 122.642 3.046 19800 4280 1 16 . 1 1 61 61 ALA HA H 61 4.678 4.678 4.190 0.488 19800 4281 1 16 . 1 1 61 61 ALA C C 61 182.244 182.244 179.116 3.128 19800 4282 1 16 . 1 1 61 61 ALA CA C 61 52.304 52.304 52.733 -0.429 19800 4283 1 16 . 1 1 61 61 ALA CB C 61 19.742 19.742 19.066 0.676 19800 4284 1 16 . 1 1 62 62 GLU N N 62 122.612 122.612 123.049 -0.437 19800 4285 1 16 . 1 1 62 62 GLU HA H 62 3.970 3.970 4.022 -0.052 19800 4286 1 16 . 1 1 62 62 GLU C C 62 175.922 175.922 177.016 -1.094 19800 4287 1 16 . 1 1 62 62 GLU CA C 62 62.328 62.328 60.608 1.720 19800 4288 1 16 . 1 1 62 62 GLU CB C 62 27.421 27.421 28.040 -0.619 19800 4289 1 16 . 1 1 63 63 PRO HA H 63 4.486 4.486 4.362 0.124 19800 4290 1 16 . 1 1 63 63 PRO C C 63 178.721 178.721 177.339 1.382 19800 4291 1 16 . 1 1 63 63 PRO CA C 63 65.517 65.517 64.828 0.689 19800 4292 1 16 . 1 1 63 63 PRO CB C 63 31.124 31.124 31.453 -0.329 19800 4293 1 16 . 1 1 64 64 ASP N N 64 115.002 115.002 117.286 -2.284 19800 4294 1 16 . 1 1 64 64 ASP HA H 64 4.994 4.994 4.752 0.242 19800 4295 1 16 . 1 1 64 64 ASP C C 64 176.565 176.565 176.606 -0.041 19800 4296 1 16 . 1 1 64 64 ASP CA C 64 54.701 54.701 54.667 0.034 19800 4297 1 16 . 1 1 64 64 ASP CB C 64 43.082 43.082 41.077 2.005 19800 4298 1 16 . 1 1 65 65 PHE N N 65 122.010 122.010 121.840 0.170 19800 4299 1 16 . 1 1 65 65 PHE HA H 65 3.926 3.926 4.106 -0.180 19800 4300 1 16 . 1 1 65 65 PHE C C 65 175.918 175.918 176.620 -0.702 19800 4301 1 16 . 1 1 65 65 PHE CA C 65 63.611 63.611 61.417 2.194 19800 4302 1 16 . 1 1 65 65 PHE CB C 65 40.354 40.354 39.404 0.950 19800 4303 1 16 . 1 1 66 66 THR N N 66 112.195 112.195 113.690 -1.495 19800 4304 1 16 . 1 1 66 66 THR HA H 66 3.660 3.660 3.776 -0.116 19800 4305 1 16 . 1 1 66 66 THR C C 66 178.106 178.106 175.964 2.142 19800 4306 1 16 . 1 1 66 66 THR CA C 66 66.742 66.742 65.406 1.336 19800 4307 1 16 . 1 1 66 66 THR CB C 66 68.412 68.412 68.453 -0.041 19800 4308 1 16 . 1 1 67 67 ALA N N 67 124.955 124.955 122.809 2.146 19800 4309 1 16 . 1 1 67 67 ALA HA H 67 4.044 4.044 3.711 0.333 19800 4310 1 16 . 1 1 67 67 ALA C C 67 180.268 180.268 178.367 1.901 19800 4311 1 16 . 1 1 67 67 ALA CA C 67 54.618 54.618 54.139 0.479 19800 4312 1 16 . 1 1 67 67 ALA CB C 67 18.408 18.408 17.961 0.447 19800 4313 1 16 . 1 1 68 68 ALA N N 68 119.593 119.593 121.881 -2.288 19800 4314 1 16 . 1 1 68 68 ALA HA H 68 3.966 3.966 3.927 0.039 19800 4315 1 16 . 1 1 68 68 ALA C C 68 181.033 181.033 179.387 1.646 19800 4316 1 16 . 1 1 68 68 ALA CA C 68 55.623 55.623 55.023 0.600 19800 4317 1 16 . 1 1 68 68 ALA CB C 68 19.802 19.802 17.887 1.915 19800 4318 1 16 . 1 1 69 69 VAL N N 69 115.582 115.582 117.573 -1.991 19800 4319 1 16 . 1 1 69 69 VAL HA H 69 3.257 3.257 3.372 -0.115 19800 4320 1 16 . 1 1 69 69 VAL C C 69 179.000 179.000 177.643 1.357 19800 4321 1 16 . 1 1 69 69 VAL CA C 69 66.077 66.077 66.352 -0.275 19800 4322 1 16 . 1 1 69 69 VAL CB C 69 31.684 31.684 31.418 0.266 19800 4323 1 16 . 1 1 70 70 TYR N N 70 118.722 118.722 120.776 -2.054 19800 4324 1 16 . 1 1 70 70 TYR HA H 70 3.805 3.805 3.936 -0.131 19800 4325 1 16 . 1 1 70 70 TYR C C 70 180.084 180.084 177.344 2.740 19800 4326 1 16 . 1 1 70 70 TYR CA C 70 61.459 61.459 61.602 -0.143 19800 4327 1 16 . 1 1 70 70 TYR CB C 70 37.712 37.712 37.745 -0.033 19800 4328 1 16 . 1 1 71 71 TRP N N 71 117.180 117.180 118.002 -0.822 19800 4329 1 16 . 1 1 71 71 TRP HA H 71 4.482 4.482 4.448 0.034 19800 4330 1 16 . 1 1 71 71 TRP C C 71 180.643 180.643 179.043 1.600 19800 4331 1 16 . 1 1 71 71 TRP CA C 71 58.833 58.833 58.573 0.260 19800 4332 1 16 . 1 1 71 71 TRP CB C 71 30.133 30.133 29.643 0.490 19800 4333 1 16 . 1 1 72 72 ILE N N 72 113.422 113.422 117.835 -4.413 19800 4334 1 16 . 1 1 72 72 ILE HA H 72 4.452 4.452 3.890 0.562 19800 4335 1 16 . 1 1 72 72 ILE C C 72 178.490 178.490 178.260 0.230 19800 4336 1 16 . 1 1 72 72 ILE CA C 72 61.563 61.563 62.509 -0.946 19800 4337 1 16 . 1 1 72 72 ILE CB C 72 37.491 37.491 36.768 0.723 19800 4338 1 16 . 1 1 73 73 LYS N N 73 120.911 120.911 120.037 0.874 19800 4339 1 16 . 1 1 73 73 LYS HA H 73 4.177 4.177 4.090 0.087 19800 4340 1 16 . 1 1 73 73 LYS C C 73 179.460 179.460 177.306 2.154 19800 4341 1 16 . 1 1 73 73 LYS CA C 73 58.310 58.310 58.861 -0.551 19800 4342 1 16 . 1 1 73 73 LYS CB C 73 32.247 32.247 32.439 -0.192 19800 4343 1 16 . 1 1 74 74 THR N N 74 110.017 110.017 112.245 -2.228 19800 4344 1 16 . 1 1 74 74 THR HA H 74 4.140 4.140 4.226 -0.086 19800 4345 1 16 . 1 1 74 74 THR C C 74 174.574 174.574 174.507 0.067 19800 4346 1 16 . 1 1 74 74 THR CA C 74 63.019 63.019 63.785 -0.765 19800 4347 1 16 . 1 1 74 74 THR CB C 74 69.394 69.394 69.268 0.126 19800 4348 1 16 . 1 1 75 75 TYR N N 75 122.005 122.005 124.168 -2.163 19800 4349 1 16 . 1 1 75 75 TYR HA H 75 4.468 4.468 4.295 0.173 19800 4350 1 16 . 1 1 75 75 TYR C C 75 174.634 174.634 174.513 0.121 19800 4351 1 16 . 1 1 75 75 TYR CA C 75 58.964 58.964 59.224 -0.260 19800 4352 1 16 . 1 1 75 75 TYR CB C 75 38.945 38.945 38.441 0.504 19800 4353 1 17 . 1 1 20 20 ASP N N 20 121.855 121.855 120.100 1.755 19800 4354 1 17 . 1 1 20 20 ASP HA H 20 4.824 4.824 4.385 0.439 19800 4355 1 17 . 1 1 20 20 ASP C C 20 176.378 176.378 174.904 1.474 19800 4356 1 17 . 1 1 20 20 ASP CA C 20 54.063 54.063 55.156 -1.093 19800 4357 1 17 . 1 1 20 20 ASP CB C 20 41.753 41.753 40.592 1.161 19800 4358 1 17 . 1 1 21 21 LYS N N 21 121.556 121.556 122.876 -1.320 19800 4359 1 17 . 1 1 21 21 LYS HA H 21 4.493 4.493 4.396 0.097 19800 4360 1 17 . 1 1 21 21 LYS C C 21 175.887 175.887 175.160 0.727 19800 4361 1 17 . 1 1 21 21 LYS CA C 21 54.395 54.395 54.237 0.158 19800 4362 1 17 . 1 1 21 21 LYS CB C 21 35.006 35.006 33.902 1.104 19800 4363 1 17 . 1 1 22 22 ASP N N 22 123.097 123.097 124.842 -1.745 19800 4364 1 17 . 1 1 22 22 ASP HA H 22 4.558 4.558 4.454 0.104 19800 4365 1 17 . 1 1 22 22 ASP C C 22 175.402 175.402 176.211 -0.809 19800 4366 1 17 . 1 1 22 22 ASP CA C 22 55.514 55.514 55.053 0.461 19800 4367 1 17 . 1 1 22 22 ASP CB C 22 40.854 40.854 41.171 -0.317 19800 4368 1 17 . 1 1 23 23 LEU N N 23 126.265 126.265 127.606 -1.341 19800 4369 1 17 . 1 1 23 23 LEU HA H 23 4.680 4.680 4.672 0.008 19800 4370 1 17 . 1 1 23 23 LEU C C 23 176.338 176.338 175.768 0.570 19800 4371 1 17 . 1 1 23 23 LEU CA C 23 56.204 56.204 56.050 0.154 19800 4372 1 17 . 1 1 23 23 LEU CB C 23 45.211 45.211 43.433 1.778 19800 4373 1 17 . 1 1 24 24 LEU N N 24 114.484 114.484 116.556 -2.072 19800 4374 1 17 . 1 1 24 24 LEU HA H 24 4.789 4.789 4.540 0.249 19800 4375 1 17 . 1 1 24 24 LEU C C 24 174.976 174.976 175.254 -0.278 19800 4376 1 17 . 1 1 24 24 LEU CA C 24 53.674 53.674 54.423 -0.749 19800 4377 1 17 . 1 1 24 24 LEU CB C 24 49.345 49.345 43.673 5.672 19800 4378 1 17 . 1 1 25 25 LYS N N 25 118.529 118.529 119.950 -1.421 19800 4379 1 17 . 1 1 25 25 LYS HA H 25 4.994 4.994 4.482 0.512 19800 4380 1 17 . 1 1 25 25 LYS C C 25 176.242 176.242 176.233 0.009 19800 4381 1 17 . 1 1 25 25 LYS CA C 25 55.210 55.210 55.126 0.084 19800 4382 1 17 . 1 1 25 25 LYS CB C 25 35.992 35.992 33.714 2.278 19800 4383 1 17 . 1 1 26 26 GLY N N 26 107.756 107.756 112.892 -5.136 19800 4384 1 17 . 1 1 26 26 GLY C C 26 176.034 176.034 173.940 2.094 19800 4385 1 17 . 1 1 26 26 GLY CA C 26 46.394 46.394 45.947 0.447 19800 4386 1 17 . 1 1 27 27 LEU N N 27 120.147 120.147 120.413 -0.266 19800 4387 1 17 . 1 1 27 27 LEU HA H 27 4.601 4.601 4.818 -0.217 19800 4388 1 17 . 1 1 27 27 LEU C C 27 179.874 179.874 175.095 4.779 19800 4389 1 17 . 1 1 27 27 LEU CA C 27 54.325 54.325 53.596 0.729 19800 4390 1 17 . 1 1 27 27 LEU CB C 27 43.622 43.622 45.672 -2.050 19800 4391 1 17 . 1 1 28 28 ASP N N 28 119.966 119.966 122.319 -2.353 19800 4392 1 17 . 1 1 28 28 ASP HA H 28 5.096 5.096 4.861 0.235 19800 4393 1 17 . 1 1 28 28 ASP C C 28 177.406 177.406 176.831 0.575 19800 4394 1 17 . 1 1 28 28 ASP CA C 28 52.835 52.835 54.507 -1.672 19800 4395 1 17 . 1 1 28 28 ASP CB C 28 41.180 41.180 42.741 -1.561 19800 4396 1 17 . 1 1 29 29 GLN N N 29 118.219 118.219 119.904 -1.685 19800 4397 1 17 . 1 1 29 29 GLN HA H 29 2.969 2.969 3.878 -0.909 19800 4398 1 17 . 1 1 29 29 GLN C C 29 178.379 178.379 177.178 1.201 19800 4399 1 17 . 1 1 29 29 GLN CA C 29 59.978 59.978 59.726 0.252 19800 4400 1 17 . 1 1 29 29 GLN CB C 29 28.897 28.897 28.217 0.680 19800 4401 1 17 . 1 1 30 30 GLU N N 30 118.429 118.429 117.802 0.627 19800 4402 1 17 . 1 1 30 30 GLU HA H 30 3.986 3.986 3.989 -0.003 19800 4403 1 17 . 1 1 30 30 GLU C C 30 182.812 182.812 178.789 4.023 19800 4404 1 17 . 1 1 30 30 GLU CA C 30 59.730 59.730 59.162 0.568 19800 4405 1 17 . 1 1 30 30 GLU CB C 30 28.936 28.936 28.486 0.450 19800 4406 1 17 . 1 1 31 31 GLN N N 31 120.672 120.672 118.971 1.701 19800 4407 1 17 . 1 1 31 31 GLN HA H 31 4.068 4.068 4.238 -0.170 19800 4408 1 17 . 1 1 31 31 GLN C C 31 180.864 180.864 178.167 2.697 19800 4409 1 17 . 1 1 31 31 GLN CA C 31 58.612 58.612 58.254 0.358 19800 4410 1 17 . 1 1 31 31 GLN CB C 31 29.844 29.844 28.064 1.780 19800 4411 1 17 . 1 1 32 32 ALA N N 32 120.200 120.200 122.895 -2.695 19800 4412 1 17 . 1 1 32 32 ALA HA H 32 3.771 3.771 3.956 -0.185 19800 4413 1 17 . 1 1 32 32 ALA C C 32 180.339 180.339 179.043 1.296 19800 4414 1 17 . 1 1 32 32 ALA CA C 32 55.122 55.122 55.024 0.098 19800 4415 1 17 . 1 1 32 32 ALA CB C 32 17.289 17.289 18.370 -1.081 19800 4416 1 17 . 1 1 33 33 ASN N N 33 115.507 115.507 116.288 -0.781 19800 4417 1 17 . 1 1 33 33 ASN HA H 33 4.292 4.292 4.321 -0.029 19800 4418 1 17 . 1 1 33 33 ASN C C 33 180.713 180.713 177.272 3.441 19800 4419 1 17 . 1 1 33 33 ASN CA C 33 55.479 55.479 56.728 -1.249 19800 4420 1 17 . 1 1 33 33 ASN CB C 33 37.104 37.104 38.431 -1.327 19800 4421 1 17 . 1 1 34 34 GLU N N 34 122.826 122.826 118.658 4.168 19800 4422 1 17 . 1 1 34 34 GLU HA H 34 4.083 4.083 4.095 -0.012 19800 4423 1 17 . 1 1 34 34 GLU C C 34 180.367 180.367 178.740 1.627 19800 4424 1 17 . 1 1 34 34 GLU CA C 34 59.486 59.486 58.824 0.662 19800 4425 1 17 . 1 1 34 34 GLU CB C 34 29.370 29.370 29.319 0.051 19800 4426 1 17 . 1 1 35 35 VAL N N 35 119.909 119.909 120.291 -0.382 19800 4427 1 17 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.334 0.039 19800 4428 1 17 . 1 1 35 35 VAL C C 35 179.502 179.502 177.830 1.672 19800 4429 1 17 . 1 1 35 35 VAL CA C 35 66.809 66.809 66.108 0.701 19800 4430 1 17 . 1 1 35 35 VAL CB C 35 31.000 31.000 31.786 -0.786 19800 4431 1 17 . 1 1 36 36 ILE N N 36 118.626 118.626 120.017 -1.391 19800 4432 1 17 . 1 1 36 36 ILE HA H 36 3.514 3.514 3.646 -0.132 19800 4433 1 17 . 1 1 36 36 ILE C C 36 180.436 180.436 176.845 3.591 19800 4434 1 17 . 1 1 36 36 ILE CA C 36 64.355 64.355 63.960 0.395 19800 4435 1 17 . 1 1 36 36 ILE CB C 36 36.534 36.534 37.714 -1.180 19800 4436 1 17 . 1 1 37 37 ALA N N 37 122.361 122.361 122.988 -0.627 19800 4437 1 17 . 1 1 37 37 ALA HA H 37 4.145 4.145 3.979 0.166 19800 4438 1 17 . 1 1 37 37 ALA C C 37 183.902 183.902 179.205 4.697 19800 4439 1 17 . 1 1 37 37 ALA CA C 37 55.433 55.433 55.379 0.054 19800 4440 1 17 . 1 1 37 37 ALA CB C 37 17.807 17.807 17.893 -0.086 19800 4441 1 17 . 1 1 38 38 VAL N N 38 120.987 120.987 118.494 2.493 19800 4442 1 17 . 1 1 38 38 VAL HA H 38 3.630 3.630 3.707 -0.077 19800 4443 1 17 . 1 1 38 38 VAL C C 38 180.529 180.529 177.513 3.016 19800 4444 1 17 . 1 1 38 38 VAL CA C 38 66.453 66.453 65.046 1.407 19800 4445 1 17 . 1 1 38 38 VAL CB C 38 31.763 31.763 32.093 -0.330 19800 4446 1 17 . 1 1 39 39 LEU N N 39 119.408 119.408 120.330 -0.922 19800 4447 1 17 . 1 1 39 39 LEU HA H 39 3.929 3.929 4.059 -0.130 19800 4448 1 17 . 1 1 39 39 LEU C C 39 183.063 183.063 179.039 4.024 19800 4449 1 17 . 1 1 39 39 LEU CA C 39 58.544 58.544 57.566 0.979 19800 4450 1 17 . 1 1 39 39 LEU CB C 39 39.409 39.409 40.674 -1.265 19800 4451 1 17 . 1 1 40 40 GLN N N 40 121.514 121.514 119.003 2.511 19800 4452 1 17 . 1 1 40 40 GLN HA H 40 3.928 3.928 4.076 -0.148 19800 4453 1 17 . 1 1 40 40 GLN C C 40 183.366 183.366 179.190 4.176 19800 4454 1 17 . 1 1 40 40 GLN CA C 40 59.324 59.324 58.393 0.931 19800 4455 1 17 . 1 1 40 40 GLN CB C 40 28.254 28.254 28.643 -0.389 19800 4456 1 17 . 1 1 41 41 MET N N 41 119.672 119.672 119.480 0.192 19800 4457 1 17 . 1 1 41 41 MET HA H 41 4.032 4.032 4.134 -0.102 19800 4458 1 17 . 1 1 41 41 MET C C 41 177.125 177.125 176.911 0.214 19800 4459 1 17 . 1 1 41 41 MET CA C 41 57.763 57.763 57.450 0.313 19800 4460 1 17 . 1 1 41 41 MET CB C 41 31.579 31.579 32.555 -0.976 19800 4461 1 17 . 1 1 42 42 HIS N N 42 115.329 115.329 113.751 1.578 19800 4462 1 17 . 1 1 42 42 HIS HA H 42 4.371 4.371 4.542 -0.171 19800 4463 1 17 . 1 1 42 42 HIS C C 42 171.216 171.216 174.292 -3.076 19800 4464 1 17 . 1 1 42 42 HIS CA C 42 54.601 54.601 55.880 -1.279 19800 4465 1 17 . 1 1 42 42 HIS CB C 42 27.399 27.399 29.290 -1.891 19800 4466 1 17 . 1 1 43 43 ASN N N 43 112.995 112.995 115.964 -2.969 19800 4467 1 17 . 1 1 43 43 ASN HA H 43 4.293 4.293 4.359 -0.066 19800 4468 1 17 . 1 1 43 43 ASN C C 43 173.011 173.011 174.503 -1.492 19800 4469 1 17 . 1 1 43 43 ASN CA C 43 54.571 54.571 54.130 0.441 19800 4470 1 17 . 1 1 43 43 ASN CB C 43 36.981 36.981 37.458 -0.477 19800 4471 1 17 . 1 1 44 44 ILE N N 44 120.077 120.077 120.112 -0.035 19800 4472 1 17 . 1 1 44 44 ILE HA H 44 4.225 4.225 4.302 -0.077 19800 4473 1 17 . 1 1 44 44 ILE C C 44 174.630 174.630 175.310 -0.680 19800 4474 1 17 . 1 1 44 44 ILE CA C 44 60.469 60.469 61.042 -0.573 19800 4475 1 17 . 1 1 44 44 ILE CB C 44 39.933 39.933 39.639 0.294 19800 4476 1 17 . 1 1 45 45 GLU N N 45 129.083 129.083 127.265 1.818 19800 4477 1 17 . 1 1 45 45 GLU HA H 45 4.144 4.144 4.300 -0.156 19800 4478 1 17 . 1 1 45 45 GLU C C 45 174.368 174.368 175.219 -0.851 19800 4479 1 17 . 1 1 45 45 GLU CA C 45 56.121 56.121 56.149 -0.028 19800 4480 1 17 . 1 1 45 45 GLU CB C 45 29.979 29.979 28.440 1.539 19800 4481 1 17 . 1 1 46 46 ALA N N 46 127.014 127.014 128.572 -1.558 19800 4482 1 17 . 1 1 46 46 ALA HA H 46 5.087 5.087 4.814 0.273 19800 4483 1 17 . 1 1 46 46 ALA C C 46 175.515 175.515 176.912 -1.397 19800 4484 1 17 . 1 1 46 46 ALA CA C 46 50.426 50.426 50.807 -0.381 19800 4485 1 17 . 1 1 46 46 ALA CB C 46 23.581 23.581 20.663 2.918 19800 4486 1 17 . 1 1 47 47 ASN N N 47 117.293 117.293 121.606 -4.313 19800 4487 1 17 . 1 1 47 47 ASN HA H 47 5.059 5.059 5.026 0.033 19800 4488 1 17 . 1 1 47 47 ASN C C 47 172.618 172.618 173.463 -0.845 19800 4489 1 17 . 1 1 47 47 ASN CA C 47 51.733 51.733 52.393 -0.660 19800 4490 1 17 . 1 1 47 47 ASN CB C 47 41.163 41.163 42.416 -1.253 19800 4491 1 17 . 1 1 48 48 LYS N N 48 121.209 121.209 122.772 -1.563 19800 4492 1 17 . 1 1 48 48 LYS HA H 48 5.302 5.302 4.694 0.609 19800 4493 1 17 . 1 1 48 48 LYS C C 48 175.186 175.186 176.271 -1.085 19800 4494 1 17 . 1 1 48 48 LYS CA C 48 54.377 54.377 55.733 -1.356 19800 4495 1 17 . 1 1 48 48 LYS CB C 48 34.817 34.817 33.994 0.823 19800 4496 1 17 . 1 1 49 49 ILE N N 49 127.508 127.508 122.557 4.951 19800 4497 1 17 . 1 1 49 49 ILE HA H 49 4.335 4.335 4.539 -0.204 19800 4498 1 17 . 1 1 49 49 ILE C C 49 175.247 175.247 174.063 1.184 19800 4499 1 17 . 1 1 49 49 ILE CA C 49 59.683 59.683 60.172 -0.490 19800 4500 1 17 . 1 1 49 49 ILE CB C 49 39.941 39.941 40.481 -0.540 19800 4501 1 17 . 1 1 50 50 ASP N N 50 127.775 127.775 127.260 0.515 19800 4502 1 17 . 1 1 50 50 ASP HA H 50 3.854 3.854 5.338 -1.484 19800 4503 1 17 . 1 1 50 50 ASP C C 50 177.327 177.327 175.329 1.998 19800 4504 1 17 . 1 1 50 50 ASP CA C 50 53.639 53.639 53.150 0.489 19800 4505 1 17 . 1 1 50 50 ASP CB C 50 40.857 40.857 42.510 -1.653 19800 4506 1 17 . 1 1 51 51 SER N N 51 123.948 123.948 120.144 3.804 19800 4507 1 17 . 1 1 51 51 SER HA H 51 4.660 4.660 4.684 -0.024 19800 4508 1 17 . 1 1 51 51 SER C C 51 177.258 177.258 175.249 2.009 19800 4509 1 17 . 1 1 51 51 SER CA C 51 57.111 57.111 57.346 -0.235 19800 4510 1 17 . 1 1 51 51 SER CB C 51 63.271 63.271 65.439 -2.168 19800 4511 1 17 . 1 1 52 52 GLY N N 52 112.626 112.626 110.564 2.062 19800 4512 1 17 . 1 1 52 52 GLY C C 52 178.261 178.261 174.768 3.493 19800 4513 1 17 . 1 1 52 52 GLY CA C 52 46.450 46.450 46.607 -0.157 19800 4514 1 17 . 1 1 53 53 LYS HA H 53 4.119 4.119 4.216 -0.097 19800 4515 1 17 . 1 1 53 53 LYS C C 53 178.526 178.526 177.397 1.129 19800 4516 1 17 . 1 1 53 53 LYS CA C 53 58.349 58.349 57.561 0.788 19800 4517 1 17 . 1 1 53 53 LYS CB C 53 32.038 32.038 32.075 -0.037 19800 4518 1 17 . 1 1 54 54 LEU N N 54 117.133 117.133 118.124 -0.991 19800 4519 1 17 . 1 1 54 54 LEU HA H 54 4.309 4.309 4.502 -0.193 19800 4520 1 17 . 1 1 54 54 LEU C C 54 178.832 178.832 177.120 1.712 19800 4521 1 17 . 1 1 54 54 LEU CA C 54 54.958 54.958 55.125 -0.167 19800 4522 1 17 . 1 1 54 54 LEU CB C 54 41.155 41.155 43.096 -1.941 19800 4523 1 17 . 1 1 55 55 GLY N N 55 106.946 106.946 107.495 -0.549 19800 4524 1 17 . 1 1 55 55 GLY C C 55 172.511 172.511 173.068 -0.557 19800 4525 1 17 . 1 1 55 55 GLY CA C 55 44.519 44.519 45.615 -1.097 19800 4526 1 17 . 1 1 56 56 TYR N N 56 119.500 119.500 123.084 -3.584 19800 4527 1 17 . 1 1 56 56 TYR HA H 56 5.267 5.267 4.975 0.292 19800 4528 1 17 . 1 1 56 56 TYR C C 56 177.412 177.412 174.670 2.742 19800 4529 1 17 . 1 1 56 56 TYR CA C 56 57.986 57.986 57.977 0.009 19800 4530 1 17 . 1 1 56 56 TYR CB C 56 40.838 40.838 40.472 0.366 19800 4531 1 17 . 1 1 57 57 SER N N 57 114.460 114.460 115.769 -1.309 19800 4532 1 17 . 1 1 57 57 SER HA H 57 5.386 5.386 4.886 0.500 19800 4533 1 17 . 1 1 57 57 SER C C 57 171.818 171.818 172.612 -0.794 19800 4534 1 17 . 1 1 57 57 SER CA C 57 55.817 55.817 56.665 -0.848 19800 4535 1 17 . 1 1 57 57 SER CB C 57 65.566 65.566 66.876 -1.310 19800 4536 1 17 . 1 1 58 58 ILE N N 58 121.240 121.240 120.225 1.015 19800 4537 1 17 . 1 1 58 58 ILE HA H 58 5.538 5.538 4.882 0.656 19800 4538 1 17 . 1 1 58 58 ILE C C 58 176.822 176.822 175.774 1.048 19800 4539 1 17 . 1 1 58 58 ILE CA C 58 57.040 57.040 59.155 -2.115 19800 4540 1 17 . 1 1 58 58 ILE CB C 58 39.157 39.157 39.249 -0.092 19800 4541 1 17 . 1 1 59 59 THR N N 59 118.505 118.505 120.318 -1.813 19800 4542 1 17 . 1 1 59 59 THR HA H 59 5.435 5.435 4.791 0.644 19800 4543 1 17 . 1 1 59 59 THR C C 59 172.703 172.703 173.089 -0.386 19800 4544 1 17 . 1 1 59 59 THR CA C 59 58.889 58.889 59.855 -0.966 19800 4545 1 17 . 1 1 59 59 THR CB C 59 71.574 71.574 71.230 0.344 19800 4546 1 17 . 1 1 60 60 VAL N N 60 111.299 111.299 121.842 -10.543 19800 4547 1 17 . 1 1 60 60 VAL HA H 60 4.787 4.787 5.527 -0.740 19800 4548 1 17 . 1 1 60 60 VAL C C 60 173.802 173.802 175.401 -1.599 19800 4549 1 17 . 1 1 60 60 VAL CA C 60 58.594 58.594 58.647 -0.053 19800 4550 1 17 . 1 1 60 60 VAL CB C 60 36.560 36.560 35.125 1.435 19800 4551 1 17 . 1 1 61 61 ALA N N 61 125.688 125.688 121.762 3.926 19800 4552 1 17 . 1 1 61 61 ALA HA H 61 4.678 4.678 4.125 0.553 19800 4553 1 17 . 1 1 61 61 ALA C C 61 182.244 182.244 179.107 3.137 19800 4554 1 17 . 1 1 61 61 ALA CA C 61 52.304 52.304 52.942 -0.638 19800 4555 1 17 . 1 1 61 61 ALA CB C 61 19.742 19.742 19.271 0.471 19800 4556 1 17 . 1 1 62 62 GLU N N 62 122.612 122.612 121.982 0.630 19800 4557 1 17 . 1 1 62 62 GLU HA H 62 3.970 3.970 4.058 -0.088 19800 4558 1 17 . 1 1 62 62 GLU C C 62 175.922 175.922 176.152 -0.230 19800 4559 1 17 . 1 1 62 62 GLU CA C 62 62.328 62.328 60.777 1.551 19800 4560 1 17 . 1 1 62 62 GLU CB C 62 27.421 27.421 28.229 -0.808 19800 4561 1 17 . 1 1 63 63 PRO HA H 63 4.486 4.486 4.594 -0.108 19800 4562 1 17 . 1 1 63 63 PRO C C 63 178.721 178.721 176.984 1.737 19800 4563 1 17 . 1 1 63 63 PRO CA C 63 65.517 65.517 63.250 2.267 19800 4564 1 17 . 1 1 63 63 PRO CB C 63 31.124 31.124 31.571 -0.447 19800 4565 1 17 . 1 1 64 64 ASP N N 64 115.002 115.002 119.153 -4.151 19800 4566 1 17 . 1 1 64 64 ASP HA H 64 4.994 4.994 4.761 0.233 19800 4567 1 17 . 1 1 64 64 ASP C C 64 176.565 176.565 176.648 -0.083 19800 4568 1 17 . 1 1 64 64 ASP CA C 64 54.701 54.701 53.652 1.049 19800 4569 1 17 . 1 1 64 64 ASP CB C 64 43.082 43.082 40.932 2.150 19800 4570 1 17 . 1 1 65 65 PHE N N 65 122.010 122.010 121.642 0.368 19800 4571 1 17 . 1 1 65 65 PHE HA H 65 3.926 3.926 4.251 -0.325 19800 4572 1 17 . 1 1 65 65 PHE C C 65 175.918 175.918 176.417 -0.499 19800 4573 1 17 . 1 1 65 65 PHE CA C 65 63.611 63.611 60.828 2.783 19800 4574 1 17 . 1 1 65 65 PHE CB C 65 40.354 40.354 39.052 1.302 19800 4575 1 17 . 1 1 66 66 THR N N 66 112.195 112.195 114.502 -2.307 19800 4576 1 17 . 1 1 66 66 THR HA H 66 3.660 3.660 3.754 -0.094 19800 4577 1 17 . 1 1 66 66 THR C C 66 178.106 178.106 175.947 2.159 19800 4578 1 17 . 1 1 66 66 THR CA C 66 66.742 66.742 65.831 0.911 19800 4579 1 17 . 1 1 66 66 THR CB C 66 68.412 68.412 68.562 -0.150 19800 4580 1 17 . 1 1 67 67 ALA N N 67 124.955 124.955 122.464 2.491 19800 4581 1 17 . 1 1 67 67 ALA HA H 67 4.044 4.044 3.760 0.284 19800 4582 1 17 . 1 1 67 67 ALA C C 67 180.268 180.268 178.497 1.771 19800 4583 1 17 . 1 1 67 67 ALA CA C 67 54.618 54.618 54.274 0.344 19800 4584 1 17 . 1 1 67 67 ALA CB C 67 18.408 18.408 17.993 0.415 19800 4585 1 17 . 1 1 68 68 ALA N N 68 119.593 119.593 122.106 -2.513 19800 4586 1 17 . 1 1 68 68 ALA HA H 68 3.966 3.966 3.941 0.025 19800 4587 1 17 . 1 1 68 68 ALA C C 68 181.033 181.033 179.409 1.624 19800 4588 1 17 . 1 1 68 68 ALA CA C 68 55.623 55.623 55.097 0.526 19800 4589 1 17 . 1 1 68 68 ALA CB C 68 19.802 19.802 17.871 1.931 19800 4590 1 17 . 1 1 69 69 VAL N N 69 115.582 115.582 117.927 -2.345 19800 4591 1 17 . 1 1 69 69 VAL HA H 69 3.257 3.257 3.393 -0.136 19800 4592 1 17 . 1 1 69 69 VAL C C 69 179.000 179.000 177.641 1.359 19800 4593 1 17 . 1 1 69 69 VAL CA C 69 66.077 66.077 66.328 -0.251 19800 4594 1 17 . 1 1 69 69 VAL CB C 69 31.684 31.684 31.345 0.339 19800 4595 1 17 . 1 1 70 70 TYR N N 70 118.722 118.722 120.781 -2.059 19800 4596 1 17 . 1 1 70 70 TYR HA H 70 3.805 3.805 4.006 -0.201 19800 4597 1 17 . 1 1 70 70 TYR C C 70 180.084 180.084 177.180 2.904 19800 4598 1 17 . 1 1 70 70 TYR CA C 70 61.459 61.459 60.914 0.545 19800 4599 1 17 . 1 1 70 70 TYR CB C 70 37.712 37.712 37.889 -0.177 19800 4600 1 17 . 1 1 71 71 TRP N N 71 117.180 117.180 118.596 -1.416 19800 4601 1 17 . 1 1 71 71 TRP HA H 71 4.482 4.482 4.187 0.295 19800 4602 1 17 . 1 1 71 71 TRP C C 71 180.643 180.643 178.825 1.818 19800 4603 1 17 . 1 1 71 71 TRP CA C 71 58.833 58.833 58.528 0.305 19800 4604 1 17 . 1 1 71 71 TRP CB C 71 30.133 30.133 29.681 0.452 19800 4605 1 17 . 1 1 72 72 ILE N N 72 113.422 113.422 119.122 -5.700 19800 4606 1 17 . 1 1 72 72 ILE HA H 72 4.452 4.452 3.728 0.724 19800 4607 1 17 . 1 1 72 72 ILE C C 72 178.490 178.490 177.915 0.575 19800 4608 1 17 . 1 1 72 72 ILE CA C 72 61.563 61.563 62.820 -1.257 19800 4609 1 17 . 1 1 72 72 ILE CB C 72 37.491 37.491 36.772 0.720 19800 4610 1 17 . 1 1 73 73 LYS N N 73 120.911 120.911 120.863 0.048 19800 4611 1 17 . 1 1 73 73 LYS HA H 73 4.177 4.177 4.090 0.087 19800 4612 1 17 . 1 1 73 73 LYS C C 73 179.460 179.460 177.593 1.867 19800 4613 1 17 . 1 1 73 73 LYS CA C 73 58.310 58.310 59.246 -0.936 19800 4614 1 17 . 1 1 73 73 LYS CB C 73 32.247 32.247 32.316 -0.069 19800 4615 1 17 . 1 1 74 74 THR N N 74 110.017 110.017 113.300 -3.283 19800 4616 1 17 . 1 1 74 74 THR HA H 74 4.140 4.140 4.167 -0.027 19800 4617 1 17 . 1 1 74 74 THR C C 74 174.574 174.574 174.774 -0.200 19800 4618 1 17 . 1 1 74 74 THR CA C 74 63.019 63.019 63.593 -0.573 19800 4619 1 17 . 1 1 74 74 THR CB C 74 69.394 69.394 69.022 0.372 19800 4620 1 17 . 1 1 75 75 TYR N N 75 122.005 122.005 122.378 -0.373 19800 4621 1 17 . 1 1 75 75 TYR HA H 75 4.468 4.468 4.434 0.034 19800 4622 1 17 . 1 1 75 75 TYR C C 75 174.634 174.634 175.612 -0.978 19800 4623 1 17 . 1 1 75 75 TYR CA C 75 58.964 58.964 59.381 -0.417 19800 4624 1 17 . 1 1 75 75 TYR CB C 75 38.945 38.945 39.336 -0.390 19800 4625 1 18 . 1 1 20 20 ASP N N 20 121.855 121.855 122.191 -0.336 19800 4626 1 18 . 1 1 20 20 ASP HA H 20 4.824 4.824 5.215 -0.391 19800 4627 1 18 . 1 1 20 20 ASP C C 20 176.378 176.378 175.407 0.971 19800 4628 1 18 . 1 1 20 20 ASP CA C 20 54.063 54.063 53.725 0.338 19800 4629 1 18 . 1 1 20 20 ASP CB C 20 41.753 41.753 42.075 -0.322 19800 4630 1 18 . 1 1 21 21 LYS N N 21 121.556 121.556 123.403 -1.847 19800 4631 1 18 . 1 1 21 21 LYS HA H 21 4.493 4.493 4.469 0.024 19800 4632 1 18 . 1 1 21 21 LYS C C 21 175.887 175.887 175.091 0.796 19800 4633 1 18 . 1 1 21 21 LYS CA C 21 54.395 54.395 53.133 1.262 19800 4634 1 18 . 1 1 21 21 LYS CB C 21 35.006 35.006 35.284 -0.278 19800 4635 1 18 . 1 1 22 22 ASP N N 22 123.097 123.097 121.992 1.105 19800 4636 1 18 . 1 1 22 22 ASP HA H 22 4.558 4.558 4.570 -0.012 19800 4637 1 18 . 1 1 22 22 ASP C C 22 175.402 175.402 175.519 -0.117 19800 4638 1 18 . 1 1 22 22 ASP CA C 22 55.514 55.514 54.055 1.459 19800 4639 1 18 . 1 1 22 22 ASP CB C 22 40.854 40.854 39.862 0.992 19800 4640 1 18 . 1 1 23 23 LEU N N 23 126.265 126.265 124.855 1.410 19800 4641 1 18 . 1 1 23 23 LEU HA H 23 4.680 4.680 4.611 0.069 19800 4642 1 18 . 1 1 23 23 LEU C C 23 176.338 176.338 175.831 0.507 19800 4643 1 18 . 1 1 23 23 LEU CA C 23 56.204 56.204 56.108 0.096 19800 4644 1 18 . 1 1 23 23 LEU CB C 23 45.211 45.211 43.442 1.769 19800 4645 1 18 . 1 1 24 24 LEU N N 24 114.484 114.484 118.547 -4.063 19800 4646 1 18 . 1 1 24 24 LEU HA H 24 4.789 4.789 4.537 0.252 19800 4647 1 18 . 1 1 24 24 LEU C C 24 174.976 174.976 175.493 -0.517 19800 4648 1 18 . 1 1 24 24 LEU CA C 24 53.674 53.674 53.633 0.041 19800 4649 1 18 . 1 1 24 24 LEU CB C 24 49.345 49.345 44.620 4.725 19800 4650 1 18 . 1 1 25 25 LYS N N 25 118.529 118.529 121.748 -3.219 19800 4651 1 18 . 1 1 25 25 LYS HA H 25 4.994 4.994 4.468 0.526 19800 4652 1 18 . 1 1 25 25 LYS C C 25 176.242 176.242 176.721 -0.479 19800 4653 1 18 . 1 1 25 25 LYS CA C 25 55.210 55.210 55.784 -0.574 19800 4654 1 18 . 1 1 25 25 LYS CB C 25 35.992 35.992 33.073 2.919 19800 4655 1 18 . 1 1 26 26 GLY N N 26 107.756 107.756 112.495 -4.739 19800 4656 1 18 . 1 1 26 26 GLY C C 26 176.034 176.034 173.777 2.257 19800 4657 1 18 . 1 1 26 26 GLY CA C 26 46.394 46.394 45.738 0.656 19800 4658 1 18 . 1 1 27 27 LEU N N 27 120.147 120.147 120.076 0.071 19800 4659 1 18 . 1 1 27 27 LEU HA H 27 4.601 4.601 4.744 -0.143 19800 4660 1 18 . 1 1 27 27 LEU C C 27 179.874 179.874 175.106 4.768 19800 4661 1 18 . 1 1 27 27 LEU CA C 27 54.325 54.325 53.636 0.689 19800 4662 1 18 . 1 1 27 27 LEU CB C 27 43.622 43.622 46.198 -2.576 19800 4663 1 18 . 1 1 28 28 ASP N N 28 119.966 119.966 122.306 -2.340 19800 4664 1 18 . 1 1 28 28 ASP HA H 28 5.096 5.096 4.951 0.145 19800 4665 1 18 . 1 1 28 28 ASP C C 28 177.406 177.406 176.177 1.229 19800 4666 1 18 . 1 1 28 28 ASP CA C 28 52.835 52.835 52.714 0.121 19800 4667 1 18 . 1 1 28 28 ASP CB C 28 41.180 41.180 43.832 -2.652 19800 4668 1 18 . 1 1 29 29 GLN N N 29 118.219 118.219 121.991 -3.772 19800 4669 1 18 . 1 1 29 29 GLN HA H 29 2.969 2.969 4.047 -1.078 19800 4670 1 18 . 1 1 29 29 GLN C C 29 178.379 178.379 177.486 0.893 19800 4671 1 18 . 1 1 29 29 GLN CA C 29 59.978 59.978 58.926 1.052 19800 4672 1 18 . 1 1 29 29 GLN CB C 29 28.897 28.897 28.824 0.073 19800 4673 1 18 . 1 1 30 30 GLU N N 30 118.429 118.429 117.776 0.653 19800 4674 1 18 . 1 1 30 30 GLU HA H 30 3.986 3.986 4.036 -0.050 19800 4675 1 18 . 1 1 30 30 GLU C C 30 182.812 182.812 179.222 3.590 19800 4676 1 18 . 1 1 30 30 GLU CA C 30 59.730 59.730 58.876 0.854 19800 4677 1 18 . 1 1 30 30 GLU CB C 30 28.936 28.936 29.045 -0.109 19800 4678 1 18 . 1 1 31 31 GLN N N 31 120.672 120.672 118.628 2.044 19800 4679 1 18 . 1 1 31 31 GLN HA H 31 4.068 4.068 4.292 -0.224 19800 4680 1 18 . 1 1 31 31 GLN C C 31 180.864 180.864 177.963 2.901 19800 4681 1 18 . 1 1 31 31 GLN CA C 31 58.612 58.612 57.268 1.344 19800 4682 1 18 . 1 1 31 31 GLN CB C 31 29.844 29.844 29.097 0.747 19800 4683 1 18 . 1 1 32 32 ALA N N 32 120.200 120.200 122.795 -2.595 19800 4684 1 18 . 1 1 32 32 ALA HA H 32 3.771 3.771 4.039 -0.268 19800 4685 1 18 . 1 1 32 32 ALA C C 32 180.339 180.339 178.337 2.002 19800 4686 1 18 . 1 1 32 32 ALA CA C 32 55.122 55.122 54.503 0.619 19800 4687 1 18 . 1 1 32 32 ALA CB C 32 17.289 17.289 18.286 -0.997 19800 4688 1 18 . 1 1 33 33 ASN N N 33 115.507 115.507 116.153 -0.646 19800 4689 1 18 . 1 1 33 33 ASN HA H 33 4.292 4.292 4.374 -0.082 19800 4690 1 18 . 1 1 33 33 ASN C C 33 180.713 180.713 177.657 3.056 19800 4691 1 18 . 1 1 33 33 ASN CA C 33 55.479 55.479 56.505 -1.026 19800 4692 1 18 . 1 1 33 33 ASN CB C 33 37.104 37.104 38.532 -1.428 19800 4693 1 18 . 1 1 34 34 GLU N N 34 122.826 122.826 118.322 4.504 19800 4694 1 18 . 1 1 34 34 GLU HA H 34 4.083 4.083 4.172 -0.089 19800 4695 1 18 . 1 1 34 34 GLU C C 34 180.367 180.367 178.632 1.735 19800 4696 1 18 . 1 1 34 34 GLU CA C 34 59.486 59.486 58.734 0.752 19800 4697 1 18 . 1 1 34 34 GLU CB C 34 29.370 29.370 29.497 -0.126 19800 4698 1 18 . 1 1 35 35 VAL N N 35 119.909 119.909 120.354 -0.445 19800 4699 1 18 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.555 -0.182 19800 4700 1 18 . 1 1 35 35 VAL C C 35 179.502 179.502 178.271 1.231 19800 4701 1 18 . 1 1 35 35 VAL CA C 35 66.809 66.809 65.485 1.324 19800 4702 1 18 . 1 1 35 35 VAL CB C 35 31.000 31.000 31.737 -0.737 19800 4703 1 18 . 1 1 36 36 ILE N N 36 118.626 118.626 120.346 -1.720 19800 4704 1 18 . 1 1 36 36 ILE HA H 36 3.514 3.514 3.650 -0.136 19800 4705 1 18 . 1 1 36 36 ILE C C 36 180.436 180.436 176.471 3.965 19800 4706 1 18 . 1 1 36 36 ILE CA C 36 64.355 64.355 64.102 0.253 19800 4707 1 18 . 1 1 36 36 ILE CB C 36 36.534 36.534 37.712 -1.179 19800 4708 1 18 . 1 1 37 37 ALA N N 37 122.361 122.361 122.160 0.201 19800 4709 1 18 . 1 1 37 37 ALA HA H 37 4.145 4.145 3.989 0.156 19800 4710 1 18 . 1 1 37 37 ALA C C 37 183.902 183.902 179.089 4.813 19800 4711 1 18 . 1 1 37 37 ALA CA C 37 55.433 55.433 55.209 0.224 19800 4712 1 18 . 1 1 37 37 ALA CB C 37 17.807 17.807 18.036 -0.229 19800 4713 1 18 . 1 1 38 38 VAL N N 38 120.987 120.987 118.648 2.339 19800 4714 1 18 . 1 1 38 38 VAL HA H 38 3.630 3.630 3.817 -0.187 19800 4715 1 18 . 1 1 38 38 VAL C C 38 180.529 180.529 177.255 3.274 19800 4716 1 18 . 1 1 38 38 VAL CA C 38 66.453 66.453 65.083 1.370 19800 4717 1 18 . 1 1 38 38 VAL CB C 38 31.763 31.763 31.757 0.006 19800 4718 1 18 . 1 1 39 39 LEU N N 39 119.408 119.408 119.969 -0.561 19800 4719 1 18 . 1 1 39 39 LEU HA H 39 3.929 3.929 4.061 -0.132 19800 4720 1 18 . 1 1 39 39 LEU C C 39 183.063 183.063 179.103 3.960 19800 4721 1 18 . 1 1 39 39 LEU CA C 39 58.544 58.544 57.595 0.949 19800 4722 1 18 . 1 1 39 39 LEU CB C 39 39.409 39.409 40.514 -1.105 19800 4723 1 18 . 1 1 40 40 GLN N N 40 121.514 121.514 119.168 2.346 19800 4724 1 18 . 1 1 40 40 GLN HA H 40 3.928 3.928 4.042 -0.114 19800 4725 1 18 . 1 1 40 40 GLN C C 40 183.366 183.366 179.238 4.128 19800 4726 1 18 . 1 1 40 40 GLN CA C 40 59.324 59.324 58.747 0.577 19800 4727 1 18 . 1 1 40 40 GLN CB C 40 28.254 28.254 28.745 -0.491 19800 4728 1 18 . 1 1 41 41 MET N N 41 119.672 119.672 118.830 0.842 19800 4729 1 18 . 1 1 41 41 MET HA H 41 4.032 4.032 4.213 -0.181 19800 4730 1 18 . 1 1 41 41 MET C C 41 177.125 177.125 177.259 -0.134 19800 4731 1 18 . 1 1 41 41 MET CA C 41 57.763 57.763 57.947 -0.184 19800 4732 1 18 . 1 1 41 41 MET CB C 41 31.579 31.579 32.320 -0.741 19800 4733 1 18 . 1 1 42 42 HIS N N 42 115.329 115.329 113.888 1.441 19800 4734 1 18 . 1 1 42 42 HIS HA H 42 4.371 4.371 4.449 -0.078 19800 4735 1 18 . 1 1 42 42 HIS C C 42 171.216 171.216 174.949 -3.733 19800 4736 1 18 . 1 1 42 42 HIS CA C 42 54.601 54.601 56.487 -1.886 19800 4737 1 18 . 1 1 42 42 HIS CB C 42 27.399 27.399 29.856 -2.457 19800 4738 1 18 . 1 1 43 43 ASN N N 43 112.995 112.995 115.072 -2.077 19800 4739 1 18 . 1 1 43 43 ASN HA H 43 4.293 4.293 4.441 -0.148 19800 4740 1 18 . 1 1 43 43 ASN C C 43 173.011 173.011 174.283 -1.272 19800 4741 1 18 . 1 1 43 43 ASN CA C 43 54.571 54.571 54.469 0.102 19800 4742 1 18 . 1 1 43 43 ASN CB C 43 36.981 36.981 37.018 -0.037 19800 4743 1 18 . 1 1 44 44 ILE N N 44 120.077 120.077 120.838 -0.761 19800 4744 1 18 . 1 1 44 44 ILE HA H 44 4.225 4.225 4.359 -0.134 19800 4745 1 18 . 1 1 44 44 ILE C C 44 174.630 174.630 174.827 -0.197 19800 4746 1 18 . 1 1 44 44 ILE CA C 44 60.469 60.469 60.341 0.128 19800 4747 1 18 . 1 1 44 44 ILE CB C 44 39.933 39.933 39.446 0.487 19800 4748 1 18 . 1 1 45 45 GLU N N 45 129.083 129.083 129.757 -0.674 19800 4749 1 18 . 1 1 45 45 GLU HA H 45 4.144 4.144 4.226 -0.082 19800 4750 1 18 . 1 1 45 45 GLU C C 45 174.368 174.368 174.888 -0.520 19800 4751 1 18 . 1 1 45 45 GLU CA C 45 56.121 56.121 56.577 -0.456 19800 4752 1 18 . 1 1 45 45 GLU CB C 45 29.979 29.979 29.918 0.061 19800 4753 1 18 . 1 1 46 46 ALA N N 46 127.014 127.014 127.697 -0.683 19800 4754 1 18 . 1 1 46 46 ALA HA H 46 5.087 5.087 4.566 0.521 19800 4755 1 18 . 1 1 46 46 ALA C C 46 175.515 175.515 176.137 -0.622 19800 4756 1 18 . 1 1 46 46 ALA CA C 46 50.426 50.426 50.723 -0.297 19800 4757 1 18 . 1 1 46 46 ALA CB C 46 23.581 23.581 21.290 2.291 19800 4758 1 18 . 1 1 47 47 ASN N N 47 117.293 117.293 120.884 -3.591 19800 4759 1 18 . 1 1 47 47 ASN HA H 47 5.059 5.059 5.085 -0.026 19800 4760 1 18 . 1 1 47 47 ASN C C 47 172.618 172.618 173.568 -0.950 19800 4761 1 18 . 1 1 47 47 ASN CA C 47 51.733 51.733 51.523 0.210 19800 4762 1 18 . 1 1 47 47 ASN CB C 47 41.163 41.163 42.820 -1.657 19800 4763 1 18 . 1 1 48 48 LYS N N 48 121.209 121.209 120.491 0.718 19800 4764 1 18 . 1 1 48 48 LYS HA H 48 5.302 5.302 5.172 0.130 19800 4765 1 18 . 1 1 48 48 LYS C C 48 175.186 175.186 177.017 -1.831 19800 4766 1 18 . 1 1 48 48 LYS CA C 48 54.377 54.377 55.050 -0.673 19800 4767 1 18 . 1 1 48 48 LYS CB C 48 34.817 34.817 33.281 1.536 19800 4768 1 18 . 1 1 49 49 ILE N N 49 127.508 127.508 122.625 4.883 19800 4769 1 18 . 1 1 49 49 ILE HA H 49 4.335 4.335 4.241 0.094 19800 4770 1 18 . 1 1 49 49 ILE C C 49 175.247 175.247 174.966 0.281 19800 4771 1 18 . 1 1 49 49 ILE CA C 49 59.683 59.683 60.622 -0.939 19800 4772 1 18 . 1 1 49 49 ILE CB C 49 39.941 39.941 36.737 3.204 19800 4773 1 18 . 1 1 50 50 ASP N N 50 127.775 127.775 128.798 -1.023 19800 4774 1 18 . 1 1 50 50 ASP HA H 50 3.854 3.854 4.297 -0.443 19800 4775 1 18 . 1 1 50 50 ASP C C 50 177.327 177.327 175.446 1.881 19800 4776 1 18 . 1 1 50 50 ASP CA C 50 53.639 53.639 54.417 -0.778 19800 4777 1 18 . 1 1 50 50 ASP CB C 50 40.857 40.857 41.315 -0.458 19800 4778 1 18 . 1 1 51 51 SER N N 51 123.948 123.948 121.752 2.196 19800 4779 1 18 . 1 1 51 51 SER HA H 51 4.660 4.660 4.646 0.014 19800 4780 1 18 . 1 1 51 51 SER C C 51 177.258 177.258 174.823 2.435 19800 4781 1 18 . 1 1 51 51 SER CA C 51 57.111 57.111 57.704 -0.593 19800 4782 1 18 . 1 1 51 51 SER CB C 51 63.271 63.271 66.134 -2.863 19800 4783 1 18 . 1 1 52 52 GLY N N 52 112.626 112.626 113.823 -1.197 19800 4784 1 18 . 1 1 52 52 GLY C C 52 178.261 178.261 175.430 2.831 19800 4785 1 18 . 1 1 52 52 GLY CA C 52 46.450 46.450 47.196 -0.746 19800 4786 1 18 . 1 1 53 53 LYS HA H 53 4.119 4.119 4.308 -0.189 19800 4787 1 18 . 1 1 53 53 LYS C C 53 178.526 178.526 176.259 2.267 19800 4788 1 18 . 1 1 53 53 LYS CA C 53 58.349 58.349 56.405 1.944 19800 4789 1 18 . 1 1 53 53 LYS CB C 53 32.038 32.038 31.897 0.141 19800 4790 1 18 . 1 1 54 54 LEU N N 54 117.133 117.133 117.298 -0.165 19800 4791 1 18 . 1 1 54 54 LEU HA H 54 4.309 4.309 4.482 -0.173 19800 4792 1 18 . 1 1 54 54 LEU C C 54 178.832 178.832 176.423 2.409 19800 4793 1 18 . 1 1 54 54 LEU CA C 54 54.958 54.958 54.740 0.218 19800 4794 1 18 . 1 1 54 54 LEU CB C 54 41.155 41.155 43.939 -2.784 19800 4795 1 18 . 1 1 55 55 GLY N N 55 106.946 106.946 106.008 0.938 19800 4796 1 18 . 1 1 55 55 GLY C C 55 172.511 172.511 172.154 0.357 19800 4797 1 18 . 1 1 55 55 GLY CA C 55 44.519 44.519 44.731 -0.212 19800 4798 1 18 . 1 1 56 56 TYR N N 56 119.500 119.500 122.292 -2.792 19800 4799 1 18 . 1 1 56 56 TYR HA H 56 5.267 5.267 4.870 0.397 19800 4800 1 18 . 1 1 56 56 TYR C C 56 177.412 177.412 174.448 2.964 19800 4801 1 18 . 1 1 56 56 TYR CA C 56 57.986 57.986 57.484 0.502 19800 4802 1 18 . 1 1 56 56 TYR CB C 56 40.838 40.838 41.542 -0.704 19800 4803 1 18 . 1 1 57 57 SER N N 57 114.460 114.460 116.172 -1.712 19800 4804 1 18 . 1 1 57 57 SER HA H 57 5.386 5.386 4.789 0.597 19800 4805 1 18 . 1 1 57 57 SER C C 57 171.818 171.818 172.819 -1.001 19800 4806 1 18 . 1 1 57 57 SER CA C 57 55.817 55.817 56.488 -0.671 19800 4807 1 18 . 1 1 57 57 SER CB C 57 65.566 65.566 66.950 -1.384 19800 4808 1 18 . 1 1 58 58 ILE N N 58 121.240 121.240 121.983 -0.743 19800 4809 1 18 . 1 1 58 58 ILE HA H 58 5.538 5.538 4.803 0.735 19800 4810 1 18 . 1 1 58 58 ILE C C 58 176.822 176.822 175.820 1.002 19800 4811 1 18 . 1 1 58 58 ILE CA C 58 57.040 57.040 59.757 -2.716 19800 4812 1 18 . 1 1 58 58 ILE CB C 58 39.157 39.157 37.730 1.427 19800 4813 1 18 . 1 1 59 59 THR N N 59 118.505 118.505 121.614 -3.109 19800 4814 1 18 . 1 1 59 59 THR HA H 59 5.435 5.435 4.827 0.608 19800 4815 1 18 . 1 1 59 59 THR C C 59 172.703 172.703 173.252 -0.549 19800 4816 1 18 . 1 1 59 59 THR CA C 59 58.889 58.889 60.015 -1.126 19800 4817 1 18 . 1 1 59 59 THR CB C 59 71.574 71.574 70.383 1.191 19800 4818 1 18 . 1 1 60 60 VAL N N 60 111.299 111.299 121.835 -10.536 19800 4819 1 18 . 1 1 60 60 VAL HA H 60 4.787 4.787 5.044 -0.257 19800 4820 1 18 . 1 1 60 60 VAL C C 60 173.802 173.802 175.030 -1.228 19800 4821 1 18 . 1 1 60 60 VAL CA C 60 58.594 58.594 58.463 0.131 19800 4822 1 18 . 1 1 60 60 VAL CB C 60 36.560 36.560 34.791 1.769 19800 4823 1 18 . 1 1 61 61 ALA N N 61 125.688 125.688 122.662 3.026 19800 4824 1 18 . 1 1 61 61 ALA HA H 61 4.678 4.678 4.136 0.542 19800 4825 1 18 . 1 1 61 61 ALA C C 61 182.244 182.244 178.725 3.519 19800 4826 1 18 . 1 1 61 61 ALA CA C 61 52.304 52.304 52.992 -0.688 19800 4827 1 18 . 1 1 61 61 ALA CB C 61 19.742 19.742 18.972 0.770 19800 4828 1 18 . 1 1 62 62 GLU N N 62 122.612 122.612 123.874 -1.262 19800 4829 1 18 . 1 1 62 62 GLU HA H 62 3.970 3.970 4.050 -0.080 19800 4830 1 18 . 1 1 62 62 GLU C C 62 175.922 175.922 177.198 -1.276 19800 4831 1 18 . 1 1 62 62 GLU CA C 62 62.328 62.328 60.713 1.615 19800 4832 1 18 . 1 1 62 62 GLU CB C 62 27.421 27.421 28.186 -0.765 19800 4833 1 18 . 1 1 63 63 PRO HA H 63 4.486 4.486 4.312 0.174 19800 4834 1 18 . 1 1 63 63 PRO C C 63 178.721 178.721 178.104 0.617 19800 4835 1 18 . 1 1 63 63 PRO CA C 63 65.517 65.517 65.375 0.142 19800 4836 1 18 . 1 1 63 63 PRO CB C 63 31.124 31.124 31.331 -0.207 19800 4837 1 18 . 1 1 64 64 ASP N N 64 115.002 115.002 118.521 -3.519 19800 4838 1 18 . 1 1 64 64 ASP HA H 64 4.994 4.994 4.660 0.334 19800 4839 1 18 . 1 1 64 64 ASP C C 64 176.565 176.565 177.217 -0.652 19800 4840 1 18 . 1 1 64 64 ASP CA C 64 54.701 54.701 55.610 -0.909 19800 4841 1 18 . 1 1 64 64 ASP CB C 64 43.082 43.082 40.480 2.602 19800 4842 1 18 . 1 1 65 65 PHE N N 65 122.010 122.010 120.815 1.195 19800 4843 1 18 . 1 1 65 65 PHE HA H 65 3.926 3.926 4.249 -0.323 19800 4844 1 18 . 1 1 65 65 PHE C C 65 175.918 175.918 176.444 -0.526 19800 4845 1 18 . 1 1 65 65 PHE CA C 65 63.611 63.611 60.963 2.648 19800 4846 1 18 . 1 1 65 65 PHE CB C 65 40.354 40.354 39.423 0.930 19800 4847 1 18 . 1 1 66 66 THR N N 66 112.195 112.195 114.267 -2.072 19800 4848 1 18 . 1 1 66 66 THR HA H 66 3.660 3.660 3.775 -0.115 19800 4849 1 18 . 1 1 66 66 THR C C 66 178.106 178.106 176.023 2.083 19800 4850 1 18 . 1 1 66 66 THR CA C 66 66.742 66.742 65.764 0.978 19800 4851 1 18 . 1 1 66 66 THR CB C 66 68.412 68.412 68.398 0.014 19800 4852 1 18 . 1 1 67 67 ALA N N 67 124.955 124.955 122.923 2.032 19800 4853 1 18 . 1 1 67 67 ALA HA H 67 4.044 4.044 3.785 0.259 19800 4854 1 18 . 1 1 67 67 ALA C C 67 180.268 180.268 178.467 1.801 19800 4855 1 18 . 1 1 67 67 ALA CA C 67 54.618 54.618 54.312 0.306 19800 4856 1 18 . 1 1 67 67 ALA CB C 67 18.408 18.408 18.088 0.320 19800 4857 1 18 . 1 1 68 68 ALA N N 68 119.593 119.593 122.146 -2.553 19800 4858 1 18 . 1 1 68 68 ALA HA H 68 3.966 3.966 3.995 -0.029 19800 4859 1 18 . 1 1 68 68 ALA C C 68 181.033 181.033 179.413 1.620 19800 4860 1 18 . 1 1 68 68 ALA CA C 68 55.623 55.623 55.143 0.480 19800 4861 1 18 . 1 1 68 68 ALA CB C 68 19.802 19.802 17.991 1.810 19800 4862 1 18 . 1 1 69 69 VAL N N 69 115.582 115.582 117.385 -1.803 19800 4863 1 18 . 1 1 69 69 VAL HA H 69 3.257 3.257 3.451 -0.194 19800 4864 1 18 . 1 1 69 69 VAL C C 69 179.000 179.000 177.864 1.136 19800 4865 1 18 . 1 1 69 69 VAL CA C 69 66.077 66.077 66.411 -0.334 19800 4866 1 18 . 1 1 69 69 VAL CB C 69 31.684 31.684 30.739 0.945 19800 4867 1 18 . 1 1 70 70 TYR N N 70 118.722 118.722 120.904 -2.182 19800 4868 1 18 . 1 1 70 70 TYR HA H 70 3.805 3.805 4.026 -0.221 19800 4869 1 18 . 1 1 70 70 TYR C C 70 180.084 180.084 177.353 2.731 19800 4870 1 18 . 1 1 70 70 TYR CA C 70 61.459 61.459 61.361 0.098 19800 4871 1 18 . 1 1 70 70 TYR CB C 70 37.712 37.712 37.968 -0.256 19800 4872 1 18 . 1 1 71 71 TRP N N 71 117.180 117.180 118.888 -1.708 19800 4873 1 18 . 1 1 71 71 TRP HA H 71 4.482 4.482 4.126 0.356 19800 4874 1 18 . 1 1 71 71 TRP C C 71 180.643 180.643 179.208 1.435 19800 4875 1 18 . 1 1 71 71 TRP CA C 71 58.833 58.833 58.630 0.203 19800 4876 1 18 . 1 1 71 71 TRP CB C 71 30.133 30.133 29.530 0.603 19800 4877 1 18 . 1 1 72 72 ILE N N 72 113.422 113.422 118.695 -5.273 19800 4878 1 18 . 1 1 72 72 ILE HA H 72 4.452 4.452 3.883 0.569 19800 4879 1 18 . 1 1 72 72 ILE C C 72 178.490 178.490 178.410 0.080 19800 4880 1 18 . 1 1 72 72 ILE CA C 72 61.563 61.563 62.387 -0.824 19800 4881 1 18 . 1 1 72 72 ILE CB C 72 37.491 37.491 36.283 1.208 19800 4882 1 18 . 1 1 73 73 LYS N N 73 120.911 120.911 121.275 -0.364 19800 4883 1 18 . 1 1 73 73 LYS HA H 73 4.177 4.177 4.156 0.021 19800 4884 1 18 . 1 1 73 73 LYS C C 73 179.460 179.460 177.506 1.954 19800 4885 1 18 . 1 1 73 73 LYS CA C 73 58.310 58.310 58.318 -0.007 19800 4886 1 18 . 1 1 73 73 LYS CB C 73 32.247 32.247 31.840 0.407 19800 4887 1 18 . 1 1 74 74 THR N N 74 110.017 110.017 113.532 -3.515 19800 4888 1 18 . 1 1 74 74 THR HA H 74 4.140 4.140 4.303 -0.163 19800 4889 1 18 . 1 1 74 74 THR C C 74 174.574 174.574 173.595 0.979 19800 4890 1 18 . 1 1 74 74 THR CA C 74 63.019 63.019 63.016 0.004 19800 4891 1 18 . 1 1 74 74 THR CB C 74 69.394 69.394 69.644 -0.250 19800 4892 1 18 . 1 1 75 75 TYR N N 75 122.005 122.005 124.481 -2.476 19800 4893 1 18 . 1 1 75 75 TYR HA H 75 4.468 4.468 4.476 -0.008 19800 4894 1 18 . 1 1 75 75 TYR C C 75 174.634 174.634 173.867 0.767 19800 4895 1 18 . 1 1 75 75 TYR CA C 75 58.964 58.964 58.278 0.686 19800 4896 1 18 . 1 1 75 75 TYR CB C 75 38.945 38.945 38.674 0.271 19800 4897 1 19 . 1 1 20 20 ASP N N 20 121.855 121.855 117.171 4.684 19800 4898 1 19 . 1 1 20 20 ASP HA H 20 4.824 4.824 4.267 0.557 19800 4899 1 19 . 1 1 20 20 ASP C C 20 176.378 176.378 174.937 1.441 19800 4900 1 19 . 1 1 20 20 ASP CA C 20 54.063 54.063 55.413 -1.350 19800 4901 1 19 . 1 1 20 20 ASP CB C 20 41.753 41.753 39.587 2.166 19800 4902 1 19 . 1 1 21 21 LYS N N 21 121.556 121.556 119.305 2.251 19800 4903 1 19 . 1 1 21 21 LYS HA H 21 4.493 4.493 4.577 -0.084 19800 4904 1 19 . 1 1 21 21 LYS C C 21 175.887 175.887 175.820 0.067 19800 4905 1 19 . 1 1 21 21 LYS CA C 21 54.395 54.395 53.992 0.403 19800 4906 1 19 . 1 1 21 21 LYS CB C 21 35.006 35.006 34.591 0.415 19800 4907 1 19 . 1 1 22 22 ASP N N 22 123.097 123.097 124.683 -1.586 19800 4908 1 19 . 1 1 22 22 ASP HA H 22 4.558 4.558 4.561 -0.003 19800 4909 1 19 . 1 1 22 22 ASP C C 22 175.402 175.402 176.900 -1.498 19800 4910 1 19 . 1 1 22 22 ASP CA C 22 55.514 55.514 55.120 0.394 19800 4911 1 19 . 1 1 22 22 ASP CB C 22 40.854 40.854 40.635 0.219 19800 4912 1 19 . 1 1 23 23 LEU N N 23 126.265 126.265 126.424 -0.159 19800 4913 1 19 . 1 1 23 23 LEU HA H 23 4.680 4.680 4.424 0.256 19800 4914 1 19 . 1 1 23 23 LEU C C 23 176.338 176.338 175.815 0.523 19800 4915 1 19 . 1 1 23 23 LEU CA C 23 56.204 56.204 56.013 0.191 19800 4916 1 19 . 1 1 23 23 LEU CB C 23 45.211 45.211 43.178 2.033 19800 4917 1 19 . 1 1 24 24 LEU N N 24 114.484 114.484 118.186 -3.702 19800 4918 1 19 . 1 1 24 24 LEU HA H 24 4.789 4.789 4.547 0.242 19800 4919 1 19 . 1 1 24 24 LEU C C 24 174.976 174.976 175.033 -0.057 19800 4920 1 19 . 1 1 24 24 LEU CA C 24 53.674 53.674 53.745 -0.071 19800 4921 1 19 . 1 1 24 24 LEU CB C 24 49.345 49.345 44.488 4.857 19800 4922 1 19 . 1 1 25 25 LYS N N 25 118.529 118.529 121.052 -2.523 19800 4923 1 19 . 1 1 25 25 LYS HA H 25 4.994 4.994 4.425 0.569 19800 4924 1 19 . 1 1 25 25 LYS C C 25 176.242 176.242 177.286 -1.044 19800 4925 1 19 . 1 1 25 25 LYS CA C 25 55.210 55.210 55.509 -0.299 19800 4926 1 19 . 1 1 25 25 LYS CB C 25 35.992 35.992 32.856 3.136 19800 4927 1 19 . 1 1 26 26 GLY N N 26 107.756 107.756 112.465 -4.709 19800 4928 1 19 . 1 1 26 26 GLY C C 26 176.034 176.034 174.236 1.798 19800 4929 1 19 . 1 1 26 26 GLY CA C 26 46.394 46.394 45.572 0.822 19800 4930 1 19 . 1 1 27 27 LEU N N 27 120.147 120.147 122.767 -2.620 19800 4931 1 19 . 1 1 27 27 LEU HA H 27 4.601 4.601 4.426 0.175 19800 4932 1 19 . 1 1 27 27 LEU C C 27 179.874 179.874 176.422 3.452 19800 4933 1 19 . 1 1 27 27 LEU CA C 27 54.325 54.325 55.133 -0.808 19800 4934 1 19 . 1 1 27 27 LEU CB C 27 43.622 43.622 42.797 0.825 19800 4935 1 19 . 1 1 28 28 ASP N N 28 119.966 119.966 121.461 -1.495 19800 4936 1 19 . 1 1 28 28 ASP HA H 28 5.096 5.096 4.846 0.250 19800 4937 1 19 . 1 1 28 28 ASP C C 28 177.406 177.406 177.416 -0.010 19800 4938 1 19 . 1 1 28 28 ASP CA C 28 52.835 52.835 53.247 -0.412 19800 4939 1 19 . 1 1 28 28 ASP CB C 28 41.180 41.180 44.063 -2.883 19800 4940 1 19 . 1 1 29 29 GLN N N 29 118.219 118.219 119.607 -1.388 19800 4941 1 19 . 1 1 29 29 GLN HA H 29 2.969 2.969 3.610 -0.641 19800 4942 1 19 . 1 1 29 29 GLN C C 29 178.379 178.379 177.339 1.040 19800 4943 1 19 . 1 1 29 29 GLN CA C 29 59.978 59.978 59.069 0.909 19800 4944 1 19 . 1 1 29 29 GLN CB C 29 28.897 28.897 28.238 0.659 19800 4945 1 19 . 1 1 30 30 GLU N N 30 118.429 118.429 116.737 1.692 19800 4946 1 19 . 1 1 30 30 GLU HA H 30 3.986 3.986 4.013 -0.027 19800 4947 1 19 . 1 1 30 30 GLU C C 30 182.812 182.812 178.220 4.592 19800 4948 1 19 . 1 1 30 30 GLU CA C 30 59.730 59.730 58.681 1.049 19800 4949 1 19 . 1 1 30 30 GLU CB C 30 28.936 28.936 28.980 -0.044 19800 4950 1 19 . 1 1 31 31 GLN N N 31 120.672 120.672 117.743 2.929 19800 4951 1 19 . 1 1 31 31 GLN HA H 31 4.068 4.068 4.311 -0.243 19800 4952 1 19 . 1 1 31 31 GLN C C 31 180.864 180.864 178.048 2.816 19800 4953 1 19 . 1 1 31 31 GLN CA C 31 58.612 58.612 56.720 1.892 19800 4954 1 19 . 1 1 31 31 GLN CB C 31 29.844 29.844 28.789 1.055 19800 4955 1 19 . 1 1 32 32 ALA N N 32 120.200 120.200 123.402 -3.202 19800 4956 1 19 . 1 1 32 32 ALA HA H 32 3.771 3.771 4.011 -0.240 19800 4957 1 19 . 1 1 32 32 ALA C C 32 180.339 180.339 178.620 1.719 19800 4958 1 19 . 1 1 32 32 ALA CA C 32 55.122 55.122 54.456 0.666 19800 4959 1 19 . 1 1 32 32 ALA CB C 32 17.289 17.289 18.294 -1.005 19800 4960 1 19 . 1 1 33 33 ASN N N 33 115.507 115.507 116.980 -1.473 19800 4961 1 19 . 1 1 33 33 ASN HA H 33 4.292 4.292 4.327 -0.035 19800 4962 1 19 . 1 1 33 33 ASN C C 33 180.713 180.713 177.586 3.127 19800 4963 1 19 . 1 1 33 33 ASN CA C 33 55.479 55.479 56.659 -1.180 19800 4964 1 19 . 1 1 33 33 ASN CB C 33 37.104 37.104 38.484 -1.380 19800 4965 1 19 . 1 1 34 34 GLU N N 34 122.826 122.826 118.456 4.370 19800 4966 1 19 . 1 1 34 34 GLU HA H 34 4.083 4.083 4.045 0.038 19800 4967 1 19 . 1 1 34 34 GLU C C 34 180.367 180.367 178.685 1.682 19800 4968 1 19 . 1 1 34 34 GLU CA C 34 59.486 59.486 58.691 0.795 19800 4969 1 19 . 1 1 34 34 GLU CB C 34 29.370 29.370 29.112 0.258 19800 4970 1 19 . 1 1 35 35 VAL N N 35 119.909 119.909 120.520 -0.611 19800 4971 1 19 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.601 -0.228 19800 4972 1 19 . 1 1 35 35 VAL C C 35 179.502 179.502 178.073 1.429 19800 4973 1 19 . 1 1 35 35 VAL CA C 35 66.809 66.809 66.424 0.385 19800 4974 1 19 . 1 1 35 35 VAL CB C 35 31.000 31.000 31.812 -0.812 19800 4975 1 19 . 1 1 36 36 ILE N N 36 118.626 118.626 119.547 -0.921 19800 4976 1 19 . 1 1 36 36 ILE HA H 36 3.514 3.514 3.740 -0.226 19800 4977 1 19 . 1 1 36 36 ILE C C 36 180.436 180.436 176.839 3.597 19800 4978 1 19 . 1 1 36 36 ILE CA C 36 64.355 64.355 63.867 0.488 19800 4979 1 19 . 1 1 36 36 ILE CB C 36 36.534 36.534 37.744 -1.210 19800 4980 1 19 . 1 1 37 37 ALA N N 37 122.361 122.361 123.605 -1.244 19800 4981 1 19 . 1 1 37 37 ALA HA H 37 4.145 4.145 4.039 0.106 19800 4982 1 19 . 1 1 37 37 ALA C C 37 183.902 183.902 179.269 4.633 19800 4983 1 19 . 1 1 37 37 ALA CA C 37 55.433 55.433 55.350 0.083 19800 4984 1 19 . 1 1 37 37 ALA CB C 37 17.807 17.807 17.940 -0.133 19800 4985 1 19 . 1 1 38 38 VAL N N 38 120.987 120.987 118.787 2.200 19800 4986 1 19 . 1 1 38 38 VAL HA H 38 3.630 3.630 3.858 -0.228 19800 4987 1 19 . 1 1 38 38 VAL C C 38 180.529 180.529 177.456 3.073 19800 4988 1 19 . 1 1 38 38 VAL CA C 38 66.453 66.453 65.031 1.422 19800 4989 1 19 . 1 1 38 38 VAL CB C 38 31.763 31.763 31.378 0.385 19800 4990 1 19 . 1 1 39 39 LEU N N 39 119.408 119.408 119.709 -0.301 19800 4991 1 19 . 1 1 39 39 LEU HA H 39 3.929 3.929 4.117 -0.188 19800 4992 1 19 . 1 1 39 39 LEU C C 39 183.063 183.063 179.204 3.859 19800 4993 1 19 . 1 1 39 39 LEU CA C 39 58.544 58.544 57.931 0.613 19800 4994 1 19 . 1 1 39 39 LEU CB C 39 39.409 39.409 41.970 -2.561 19800 4995 1 19 . 1 1 40 40 GLN N N 40 121.514 121.514 119.703 1.811 19800 4996 1 19 . 1 1 40 40 GLN HA H 40 3.928 3.928 4.085 -0.157 19800 4997 1 19 . 1 1 40 40 GLN C C 40 183.366 183.366 178.494 4.872 19800 4998 1 19 . 1 1 40 40 GLN CA C 40 59.324 59.324 58.055 1.269 19800 4999 1 19 . 1 1 40 40 GLN CB C 40 28.254 28.254 28.341 -0.087 19800 5000 1 19 . 1 1 41 41 MET N N 41 119.672 119.672 118.425 1.247 19800 5001 1 19 . 1 1 41 41 MET HA H 41 4.032 4.032 4.064 -0.032 19800 5002 1 19 . 1 1 41 41 MET C C 41 177.125 177.125 177.248 -0.123 19800 5003 1 19 . 1 1 41 41 MET CA C 41 57.763 57.763 57.923 -0.160 19800 5004 1 19 . 1 1 41 41 MET CB C 41 31.579 31.579 32.467 -0.888 19800 5005 1 19 . 1 1 42 42 HIS N N 42 115.329 115.329 114.615 0.714 19800 5006 1 19 . 1 1 42 42 HIS HA H 42 4.371 4.371 4.493 -0.122 19800 5007 1 19 . 1 1 42 42 HIS C C 42 171.216 171.216 174.237 -3.021 19800 5008 1 19 . 1 1 42 42 HIS CA C 42 54.601 54.601 56.233 -1.632 19800 5009 1 19 . 1 1 42 42 HIS CB C 42 27.399 27.399 29.452 -2.053 19800 5010 1 19 . 1 1 43 43 ASN N N 43 112.995 112.995 114.809 -1.814 19800 5011 1 19 . 1 1 43 43 ASN HA H 43 4.293 4.293 4.317 -0.024 19800 5012 1 19 . 1 1 43 43 ASN C C 43 173.011 173.011 174.385 -1.374 19800 5013 1 19 . 1 1 43 43 ASN CA C 43 54.571 54.571 54.515 0.056 19800 5014 1 19 . 1 1 43 43 ASN CB C 43 36.981 36.981 37.041 -0.060 19800 5015 1 19 . 1 1 44 44 ILE N N 44 120.077 120.077 119.460 0.617 19800 5016 1 19 . 1 1 44 44 ILE HA H 44 4.225 4.225 4.277 -0.052 19800 5017 1 19 . 1 1 44 44 ILE C C 44 174.630 174.630 175.477 -0.847 19800 5018 1 19 . 1 1 44 44 ILE CA C 44 60.469 60.469 60.261 0.208 19800 5019 1 19 . 1 1 44 44 ILE CB C 44 39.933 39.933 39.799 0.134 19800 5020 1 19 . 1 1 45 45 GLU N N 45 129.083 129.083 127.657 1.426 19800 5021 1 19 . 1 1 45 45 GLU HA H 45 4.144 4.144 4.174 -0.030 19800 5022 1 19 . 1 1 45 45 GLU C C 45 174.368 174.368 174.942 -0.574 19800 5023 1 19 . 1 1 45 45 GLU CA C 45 56.121 56.121 57.403 -1.282 19800 5024 1 19 . 1 1 45 45 GLU CB C 45 29.979 29.979 30.232 -0.253 19800 5025 1 19 . 1 1 46 46 ALA N N 46 127.014 127.014 128.070 -1.056 19800 5026 1 19 . 1 1 46 46 ALA HA H 46 5.087 5.087 4.497 0.590 19800 5027 1 19 . 1 1 46 46 ALA C C 46 175.515 175.515 175.782 -0.267 19800 5028 1 19 . 1 1 46 46 ALA CA C 46 50.426 50.426 51.241 -0.815 19800 5029 1 19 . 1 1 46 46 ALA CB C 46 23.581 23.581 21.435 2.146 19800 5030 1 19 . 1 1 47 47 ASN N N 47 117.293 117.293 121.997 -4.704 19800 5031 1 19 . 1 1 47 47 ASN HA H 47 5.059 5.059 4.964 0.095 19800 5032 1 19 . 1 1 47 47 ASN C C 47 172.618 172.618 173.933 -1.315 19800 5033 1 19 . 1 1 47 47 ASN CA C 47 51.733 51.733 52.475 -0.742 19800 5034 1 19 . 1 1 47 47 ASN CB C 47 41.163 41.163 42.060 -0.897 19800 5035 1 19 . 1 1 48 48 LYS N N 48 121.209 121.209 124.399 -3.190 19800 5036 1 19 . 1 1 48 48 LYS HA H 48 5.302 5.302 4.947 0.355 19800 5037 1 19 . 1 1 48 48 LYS C C 48 175.186 175.186 176.544 -1.358 19800 5038 1 19 . 1 1 48 48 LYS CA C 48 54.377 54.377 55.514 -1.137 19800 5039 1 19 . 1 1 48 48 LYS CB C 48 34.817 34.817 32.824 1.994 19800 5040 1 19 . 1 1 49 49 ILE N N 49 127.508 127.508 122.213 5.295 19800 5041 1 19 . 1 1 49 49 ILE HA H 49 4.335 4.335 4.478 -0.143 19800 5042 1 19 . 1 1 49 49 ILE C C 49 175.247 175.247 174.089 1.158 19800 5043 1 19 . 1 1 49 49 ILE CA C 49 59.683 59.683 59.817 -0.134 19800 5044 1 19 . 1 1 49 49 ILE CB C 49 39.941 39.941 38.610 1.331 19800 5045 1 19 . 1 1 50 50 ASP N N 50 127.775 127.775 126.301 1.474 19800 5046 1 19 . 1 1 50 50 ASP HA H 50 3.854 3.854 5.268 -1.414 19800 5047 1 19 . 1 1 50 50 ASP C C 50 177.327 177.327 175.520 1.807 19800 5048 1 19 . 1 1 50 50 ASP CA C 50 53.639 53.639 52.085 1.554 19800 5049 1 19 . 1 1 50 50 ASP CB C 50 40.857 40.857 42.365 -1.508 19800 5050 1 19 . 1 1 51 51 SER N N 51 123.948 123.948 116.585 7.363 19800 5051 1 19 . 1 1 51 51 SER HA H 51 4.660 4.660 4.603 0.057 19800 5052 1 19 . 1 1 51 51 SER C C 51 177.258 177.258 175.193 2.065 19800 5053 1 19 . 1 1 51 51 SER CA C 51 57.111 57.111 57.523 -0.412 19800 5054 1 19 . 1 1 51 51 SER CB C 51 63.271 63.271 65.448 -2.177 19800 5055 1 19 . 1 1 52 52 GLY N N 52 112.626 112.626 110.495 2.131 19800 5056 1 19 . 1 1 52 52 GLY C C 52 178.261 178.261 174.395 3.866 19800 5057 1 19 . 1 1 52 52 GLY CA C 52 46.450 46.450 47.012 -0.562 19800 5058 1 19 . 1 1 53 53 LYS HA H 53 4.119 4.119 4.348 -0.229 19800 5059 1 19 . 1 1 53 53 LYS C C 53 178.526 178.526 176.060 2.466 19800 5060 1 19 . 1 1 53 53 LYS CA C 53 58.349 58.349 56.821 1.528 19800 5061 1 19 . 1 1 53 53 LYS CB C 53 32.038 32.038 31.360 0.678 19800 5062 1 19 . 1 1 54 54 LEU N N 54 117.133 117.133 119.787 -2.654 19800 5063 1 19 . 1 1 54 54 LEU HA H 54 4.309 4.309 4.509 -0.200 19800 5064 1 19 . 1 1 54 54 LEU C C 54 178.832 178.832 176.458 2.374 19800 5065 1 19 . 1 1 54 54 LEU CA C 54 54.958 54.958 55.495 -0.537 19800 5066 1 19 . 1 1 54 54 LEU CB C 54 41.155 41.155 44.366 -3.211 19800 5067 1 19 . 1 1 55 55 GLY N N 55 106.946 106.946 106.294 0.652 19800 5068 1 19 . 1 1 55 55 GLY C C 55 172.511 172.511 172.431 0.080 19800 5069 1 19 . 1 1 55 55 GLY CA C 55 44.519 44.519 44.922 -0.403 19800 5070 1 19 . 1 1 56 56 TYR N N 56 119.500 119.500 122.243 -2.743 19800 5071 1 19 . 1 1 56 56 TYR HA H 56 5.267 5.267 5.138 0.129 19800 5072 1 19 . 1 1 56 56 TYR C C 56 177.412 177.412 174.374 3.038 19800 5073 1 19 . 1 1 56 56 TYR CA C 56 57.986 57.986 57.747 0.239 19800 5074 1 19 . 1 1 56 56 TYR CB C 56 40.838 40.838 41.713 -0.875 19800 5075 1 19 . 1 1 57 57 SER N N 57 114.460 114.460 116.764 -2.304 19800 5076 1 19 . 1 1 57 57 SER HA H 57 5.386 5.386 4.936 0.450 19800 5077 1 19 . 1 1 57 57 SER C C 57 171.818 171.818 173.014 -1.196 19800 5078 1 19 . 1 1 57 57 SER CA C 57 55.817 55.817 56.752 -0.935 19800 5079 1 19 . 1 1 57 57 SER CB C 57 65.566 65.566 66.899 -1.333 19800 5080 1 19 . 1 1 58 58 ILE N N 58 121.240 121.240 122.236 -0.996 19800 5081 1 19 . 1 1 58 58 ILE HA H 58 5.538 5.538 4.999 0.539 19800 5082 1 19 . 1 1 58 58 ILE C C 58 176.822 176.822 176.094 0.728 19800 5083 1 19 . 1 1 58 58 ILE CA C 58 57.040 57.040 59.212 -2.172 19800 5084 1 19 . 1 1 58 58 ILE CB C 58 39.157 39.157 37.206 1.951 19800 5085 1 19 . 1 1 59 59 THR N N 59 118.505 118.505 122.738 -4.233 19800 5086 1 19 . 1 1 59 59 THR HA H 59 5.435 5.435 4.575 0.860 19800 5087 1 19 . 1 1 59 59 THR C C 59 172.703 172.703 173.951 -1.248 19800 5088 1 19 . 1 1 59 59 THR CA C 59 58.889 58.889 60.996 -2.107 19800 5089 1 19 . 1 1 59 59 THR CB C 59 71.574 71.574 70.235 1.339 19800 5090 1 19 . 1 1 60 60 VAL N N 60 111.299 111.299 121.884 -10.585 19800 5091 1 19 . 1 1 60 60 VAL HA H 60 4.787 4.787 4.623 0.164 19800 5092 1 19 . 1 1 60 60 VAL C C 60 173.802 173.802 174.731 -0.929 19800 5093 1 19 . 1 1 60 60 VAL CA C 60 58.594 58.594 58.690 -0.096 19800 5094 1 19 . 1 1 60 60 VAL CB C 60 36.560 36.560 35.410 1.150 19800 5095 1 19 . 1 1 61 61 ALA N N 61 125.688 125.688 122.477 3.211 19800 5096 1 19 . 1 1 61 61 ALA HA H 61 4.678 4.678 4.433 0.245 19800 5097 1 19 . 1 1 61 61 ALA C C 61 182.244 182.244 178.663 3.581 19800 5098 1 19 . 1 1 61 61 ALA CA C 61 52.304 52.304 52.555 -0.251 19800 5099 1 19 . 1 1 61 61 ALA CB C 61 19.742 19.742 19.576 0.166 19800 5100 1 19 . 1 1 62 62 GLU N N 62 122.612 122.612 118.868 3.744 19800 5101 1 19 . 1 1 62 62 GLU HA H 62 3.970 3.970 4.077 -0.107 19800 5102 1 19 . 1 1 62 62 GLU C C 62 175.922 175.922 177.403 -1.481 19800 5103 1 19 . 1 1 62 62 GLU CA C 62 62.328 62.328 60.892 1.436 19800 5104 1 19 . 1 1 62 62 GLU CB C 62 27.421 27.421 27.397 0.024 19800 5105 1 19 . 1 1 63 63 PRO HA H 63 4.486 4.486 4.417 0.069 19800 5106 1 19 . 1 1 63 63 PRO C C 63 178.721 178.721 177.272 1.449 19800 5107 1 19 . 1 1 63 63 PRO CA C 63 65.517 65.517 64.859 0.659 19800 5108 1 19 . 1 1 63 63 PRO CB C 63 31.124 31.124 31.345 -0.221 19800 5109 1 19 . 1 1 64 64 ASP N N 64 115.002 115.002 118.176 -3.174 19800 5110 1 19 . 1 1 64 64 ASP HA H 64 4.994 4.994 4.675 0.319 19800 5111 1 19 . 1 1 64 64 ASP C C 64 176.565 176.565 177.259 -0.694 19800 5112 1 19 . 1 1 64 64 ASP CA C 64 54.701 54.701 56.172 -1.471 19800 5113 1 19 . 1 1 64 64 ASP CB C 64 43.082 43.082 40.950 2.131 19800 5114 1 19 . 1 1 65 65 PHE N N 65 122.010 122.010 121.230 0.780 19800 5115 1 19 . 1 1 65 65 PHE HA H 65 3.926 3.926 4.105 -0.179 19800 5116 1 19 . 1 1 65 65 PHE C C 65 175.918 175.918 176.829 -0.911 19800 5117 1 19 . 1 1 65 65 PHE CA C 65 63.611 63.611 62.515 1.096 19800 5118 1 19 . 1 1 65 65 PHE CB C 65 40.354 40.354 39.264 1.089 19800 5119 1 19 . 1 1 66 66 THR N N 66 112.195 112.195 113.383 -1.188 19800 5120 1 19 . 1 1 66 66 THR HA H 66 3.660 3.660 3.891 -0.231 19800 5121 1 19 . 1 1 66 66 THR C C 66 178.106 178.106 175.977 2.129 19800 5122 1 19 . 1 1 66 66 THR CA C 66 66.742 66.742 65.539 1.203 19800 5123 1 19 . 1 1 66 66 THR CB C 66 68.412 68.412 68.488 -0.076 19800 5124 1 19 . 1 1 67 67 ALA N N 67 124.955 124.955 122.902 2.053 19800 5125 1 19 . 1 1 67 67 ALA HA H 67 4.044 4.044 3.620 0.424 19800 5126 1 19 . 1 1 67 67 ALA C C 67 180.268 180.268 178.500 1.768 19800 5127 1 19 . 1 1 67 67 ALA CA C 67 54.618 54.618 54.203 0.415 19800 5128 1 19 . 1 1 67 67 ALA CB C 67 18.408 18.408 17.913 0.495 19800 5129 1 19 . 1 1 68 68 ALA N N 68 119.593 119.593 121.537 -1.944 19800 5130 1 19 . 1 1 68 68 ALA HA H 68 3.966 3.966 3.852 0.114 19800 5131 1 19 . 1 1 68 68 ALA C C 68 181.033 181.033 179.253 1.780 19800 5132 1 19 . 1 1 68 68 ALA CA C 68 55.623 55.623 55.179 0.444 19800 5133 1 19 . 1 1 68 68 ALA CB C 68 19.802 19.802 18.245 1.557 19800 5134 1 19 . 1 1 69 69 VAL N N 69 115.582 115.582 117.274 -1.692 19800 5135 1 19 . 1 1 69 69 VAL HA H 69 3.257 3.257 3.394 -0.137 19800 5136 1 19 . 1 1 69 69 VAL C C 69 179.000 179.000 177.515 1.485 19800 5137 1 19 . 1 1 69 69 VAL CA C 69 66.077 66.077 66.508 -0.431 19800 5138 1 19 . 1 1 69 69 VAL CB C 69 31.684 31.684 31.526 0.158 19800 5139 1 19 . 1 1 70 70 TYR N N 70 118.722 118.722 120.499 -1.777 19800 5140 1 19 . 1 1 70 70 TYR HA H 70 3.805 3.805 3.970 -0.165 19800 5141 1 19 . 1 1 70 70 TYR C C 70 180.084 180.084 176.894 3.190 19800 5142 1 19 . 1 1 70 70 TYR CA C 70 61.459 61.459 61.340 0.119 19800 5143 1 19 . 1 1 70 70 TYR CB C 70 37.712 37.712 37.994 -0.282 19800 5144 1 19 . 1 1 71 71 TRP N N 71 117.180 117.180 118.125 -0.945 19800 5145 1 19 . 1 1 71 71 TRP HA H 71 4.482 4.482 4.319 0.163 19800 5146 1 19 . 1 1 71 71 TRP C C 71 180.643 180.643 179.416 1.227 19800 5147 1 19 . 1 1 71 71 TRP CA C 71 58.833 58.833 58.599 0.234 19800 5148 1 19 . 1 1 71 71 TRP CB C 71 30.133 30.133 29.507 0.626 19800 5149 1 19 . 1 1 72 72 ILE N N 72 113.422 113.422 118.993 -5.571 19800 5150 1 19 . 1 1 72 72 ILE HA H 72 4.452 4.452 3.812 0.640 19800 5151 1 19 . 1 1 72 72 ILE C C 72 178.490 178.490 177.737 0.753 19800 5152 1 19 . 1 1 72 72 ILE CA C 72 61.563 61.563 62.210 -0.647 19800 5153 1 19 . 1 1 72 72 ILE CB C 72 37.491 37.491 36.398 1.093 19800 5154 1 19 . 1 1 73 73 LYS N N 73 120.911 120.911 120.358 0.553 19800 5155 1 19 . 1 1 73 73 LYS HA H 73 4.177 4.177 4.029 0.148 19800 5156 1 19 . 1 1 73 73 LYS C C 73 179.460 179.460 178.158 1.302 19800 5157 1 19 . 1 1 73 73 LYS CA C 73 58.310 58.310 58.940 -0.630 19800 5158 1 19 . 1 1 73 73 LYS CB C 73 32.247 32.247 32.062 0.185 19800 5159 1 19 . 1 1 74 74 THR N N 74 110.017 110.017 113.760 -3.743 19800 5160 1 19 . 1 1 74 74 THR HA H 74 4.140 4.140 4.112 0.028 19800 5161 1 19 . 1 1 74 74 THR C C 74 174.574 174.574 175.479 -0.905 19800 5162 1 19 . 1 1 74 74 THR CA C 74 63.019 63.019 64.745 -1.726 19800 5163 1 19 . 1 1 74 74 THR CB C 74 69.394 69.394 69.026 0.368 19800 5164 1 19 . 1 1 75 75 TYR N N 75 122.005 122.005 120.978 1.027 19800 5165 1 19 . 1 1 75 75 TYR HA H 75 4.468 4.468 4.494 -0.026 19800 5166 1 19 . 1 1 75 75 TYR C C 75 174.634 174.634 175.871 -1.237 19800 5167 1 19 . 1 1 75 75 TYR CA C 75 58.964 58.964 59.458 -0.494 19800 5168 1 19 . 1 1 75 75 TYR CB C 75 38.945 38.945 39.636 -0.691 19800 5169 1 20 . 1 1 20 20 ASP N N 20 121.855 121.855 121.410 0.445 19800 5170 1 20 . 1 1 20 20 ASP HA H 20 4.824 4.824 4.635 0.189 19800 5171 1 20 . 1 1 20 20 ASP C C 20 176.378 176.378 175.298 1.080 19800 5172 1 20 . 1 1 20 20 ASP CA C 20 54.063 54.063 54.172 -0.109 19800 5173 1 20 . 1 1 20 20 ASP CB C 20 41.753 41.753 41.101 0.652 19800 5174 1 20 . 1 1 21 21 LYS N N 21 121.556 121.556 123.903 -2.347 19800 5175 1 20 . 1 1 21 21 LYS HA H 21 4.493 4.493 4.432 0.061 19800 5176 1 20 . 1 1 21 21 LYS C C 21 175.887 175.887 174.498 1.389 19800 5177 1 20 . 1 1 21 21 LYS CA C 21 54.395 54.395 54.979 -0.584 19800 5178 1 20 . 1 1 21 21 LYS CB C 21 35.006 35.006 35.334 -0.328 19800 5179 1 20 . 1 1 22 22 ASP N N 22 123.097 123.097 125.550 -2.453 19800 5180 1 20 . 1 1 22 22 ASP HA H 22 4.558 4.558 4.602 -0.044 19800 5181 1 20 . 1 1 22 22 ASP C C 22 175.402 175.402 175.468 -0.066 19800 5182 1 20 . 1 1 22 22 ASP CA C 22 55.514 55.514 53.769 1.745 19800 5183 1 20 . 1 1 22 22 ASP CB C 22 40.854 40.854 40.436 0.418 19800 5184 1 20 . 1 1 23 23 LEU N N 23 126.265 126.265 124.760 1.505 19800 5185 1 20 . 1 1 23 23 LEU HA H 23 4.680 4.680 4.430 0.250 19800 5186 1 20 . 1 1 23 23 LEU C C 23 176.338 176.338 176.347 -0.009 19800 5187 1 20 . 1 1 23 23 LEU CA C 23 56.204 56.204 56.924 -0.720 19800 5188 1 20 . 1 1 23 23 LEU CB C 23 45.211 45.211 42.871 2.340 19800 5189 1 20 . 1 1 24 24 LEU N N 24 114.484 114.484 117.074 -2.590 19800 5190 1 20 . 1 1 24 24 LEU HA H 24 4.789 4.789 4.410 0.379 19800 5191 1 20 . 1 1 24 24 LEU C C 24 174.976 174.976 176.139 -1.163 19800 5192 1 20 . 1 1 24 24 LEU CA C 24 53.674 53.674 54.292 -0.618 19800 5193 1 20 . 1 1 24 24 LEU CB C 24 49.345 49.345 43.114 6.231 19800 5194 1 20 . 1 1 25 25 LYS N N 25 118.529 118.529 118.585 -0.056 19800 5195 1 20 . 1 1 25 25 LYS HA H 25 4.994 4.994 4.305 0.689 19800 5196 1 20 . 1 1 25 25 LYS C C 25 176.242 176.242 175.758 0.484 19800 5197 1 20 . 1 1 25 25 LYS CA C 25 55.210 55.210 56.426 -1.216 19800 5198 1 20 . 1 1 25 25 LYS CB C 25 35.992 35.992 34.194 1.798 19800 5199 1 20 . 1 1 26 26 GLY N N 26 107.756 107.756 111.879 -4.123 19800 5200 1 20 . 1 1 26 26 GLY C C 26 176.034 176.034 173.737 2.297 19800 5201 1 20 . 1 1 26 26 GLY CA C 26 46.394 46.394 45.427 0.967 19800 5202 1 20 . 1 1 27 27 LEU N N 27 120.147 120.147 121.129 -0.982 19800 5203 1 20 . 1 1 27 27 LEU HA H 27 4.601 4.601 4.635 -0.034 19800 5204 1 20 . 1 1 27 27 LEU C C 27 179.874 179.874 175.739 4.135 19800 5205 1 20 . 1 1 27 27 LEU CA C 27 54.325 54.325 54.108 0.218 19800 5206 1 20 . 1 1 27 27 LEU CB C 27 43.622 43.622 43.700 -0.077 19800 5207 1 20 . 1 1 28 28 ASP N N 28 119.966 119.966 121.191 -1.225 19800 5208 1 20 . 1 1 28 28 ASP HA H 28 5.096 5.096 4.986 0.110 19800 5209 1 20 . 1 1 28 28 ASP C C 28 177.406 177.406 177.074 0.332 19800 5210 1 20 . 1 1 28 28 ASP CA C 28 52.835 52.835 53.347 -0.512 19800 5211 1 20 . 1 1 28 28 ASP CB C 28 41.180 41.180 44.240 -3.060 19800 5212 1 20 . 1 1 29 29 GLN N N 29 118.219 118.219 119.848 -1.629 19800 5213 1 20 . 1 1 29 29 GLN HA H 29 2.969 2.969 3.768 -0.799 19800 5214 1 20 . 1 1 29 29 GLN C C 29 178.379 178.379 177.359 1.020 19800 5215 1 20 . 1 1 29 29 GLN CA C 29 59.978 59.978 58.965 1.013 19800 5216 1 20 . 1 1 29 29 GLN CB C 29 28.897 28.897 28.231 0.666 19800 5217 1 20 . 1 1 30 30 GLU N N 30 118.429 118.429 118.033 0.396 19800 5218 1 20 . 1 1 30 30 GLU HA H 30 3.986 3.986 3.946 0.040 19800 5219 1 20 . 1 1 30 30 GLU C C 30 182.812 182.812 178.821 3.991 19800 5220 1 20 . 1 1 30 30 GLU CA C 30 59.730 59.730 58.941 0.789 19800 5221 1 20 . 1 1 30 30 GLU CB C 30 28.936 28.936 28.823 0.113 19800 5222 1 20 . 1 1 31 31 GLN N N 31 120.672 120.672 117.536 3.136 19800 5223 1 20 . 1 1 31 31 GLN HA H 31 4.068 4.068 4.293 -0.225 19800 5224 1 20 . 1 1 31 31 GLN C C 31 180.864 180.864 178.109 2.755 19800 5225 1 20 . 1 1 31 31 GLN CA C 31 58.612 58.612 56.865 1.747 19800 5226 1 20 . 1 1 31 31 GLN CB C 31 29.844 29.844 28.912 0.932 19800 5227 1 20 . 1 1 32 32 ALA N N 32 120.200 120.200 123.479 -3.279 19800 5228 1 20 . 1 1 32 32 ALA HA H 32 3.771 3.771 3.962 -0.191 19800 5229 1 20 . 1 1 32 32 ALA C C 32 180.339 180.339 178.624 1.715 19800 5230 1 20 . 1 1 32 32 ALA CA C 32 55.122 55.122 54.802 0.320 19800 5231 1 20 . 1 1 32 32 ALA CB C 32 17.289 17.289 18.191 -0.902 19800 5232 1 20 . 1 1 33 33 ASN N N 33 115.507 115.507 117.201 -1.694 19800 5233 1 20 . 1 1 33 33 ASN HA H 33 4.292 4.292 4.374 -0.082 19800 5234 1 20 . 1 1 33 33 ASN C C 33 180.713 180.713 177.392 3.321 19800 5235 1 20 . 1 1 33 33 ASN CA C 33 55.479 55.479 56.735 -1.256 19800 5236 1 20 . 1 1 33 33 ASN CB C 33 37.104 37.104 38.355 -1.251 19800 5237 1 20 . 1 1 34 34 GLU N N 34 122.826 122.826 119.250 3.576 19800 5238 1 20 . 1 1 34 34 GLU HA H 34 4.083 4.083 4.024 0.059 19800 5239 1 20 . 1 1 34 34 GLU C C 34 180.367 180.367 178.918 1.449 19800 5240 1 20 . 1 1 34 34 GLU CA C 34 59.486 59.486 59.012 0.474 19800 5241 1 20 . 1 1 34 34 GLU CB C 34 29.370 29.370 29.166 0.204 19800 5242 1 20 . 1 1 35 35 VAL N N 35 119.909 119.909 119.965 -0.056 19800 5243 1 20 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.703 -0.330 19800 5244 1 20 . 1 1 35 35 VAL C C 35 179.502 179.502 178.070 1.432 19800 5245 1 20 . 1 1 35 35 VAL CA C 35 66.809 66.809 66.314 0.495 19800 5246 1 20 . 1 1 35 35 VAL CB C 35 31.000 31.000 31.925 -0.925 19800 5247 1 20 . 1 1 36 36 ILE N N 36 118.626 118.626 119.662 -1.036 19800 5248 1 20 . 1 1 36 36 ILE HA H 36 3.514 3.514 3.742 -0.228 19800 5249 1 20 . 1 1 36 36 ILE C C 36 180.436 180.436 176.839 3.597 19800 5250 1 20 . 1 1 36 36 ILE CA C 36 64.355 64.355 63.474 0.881 19800 5251 1 20 . 1 1 36 36 ILE CB C 36 36.534 36.534 37.748 -1.214 19800 5252 1 20 . 1 1 37 37 ALA N N 37 122.361 122.361 123.400 -1.039 19800 5253 1 20 . 1 1 37 37 ALA HA H 37 4.145 4.145 4.023 0.122 19800 5254 1 20 . 1 1 37 37 ALA C C 37 183.902 183.902 179.203 4.699 19800 5255 1 20 . 1 1 37 37 ALA CA C 37 55.433 55.433 55.596 -0.163 19800 5256 1 20 . 1 1 37 37 ALA CB C 37 17.807 17.807 17.741 0.066 19800 5257 1 20 . 1 1 38 38 VAL N N 38 120.987 120.987 118.582 2.405 19800 5258 1 20 . 1 1 38 38 VAL HA H 38 3.630 3.630 3.831 -0.201 19800 5259 1 20 . 1 1 38 38 VAL C C 38 180.529 180.529 177.379 3.150 19800 5260 1 20 . 1 1 38 38 VAL CA C 38 66.453 66.453 65.128 1.325 19800 5261 1 20 . 1 1 38 38 VAL CB C 38 31.763 31.763 31.528 0.235 19800 5262 1 20 . 1 1 39 39 LEU N N 39 119.408 119.408 120.950 -1.542 19800 5263 1 20 . 1 1 39 39 LEU HA H 39 3.929 3.929 3.781 0.148 19800 5264 1 20 . 1 1 39 39 LEU C C 39 183.063 183.063 178.781 4.282 19800 5265 1 20 . 1 1 39 39 LEU CA C 39 58.544 58.544 58.465 0.079 19800 5266 1 20 . 1 1 39 39 LEU CB C 39 39.409 39.409 41.663 -2.254 19800 5267 1 20 . 1 1 40 40 GLN N N 40 121.514 121.514 119.194 2.320 19800 5268 1 20 . 1 1 40 40 GLN HA H 40 3.928 3.928 4.006 -0.078 19800 5269 1 20 . 1 1 40 40 GLN C C 40 183.366 183.366 178.928 4.438 19800 5270 1 20 . 1 1 40 40 GLN CA C 40 59.324 59.324 58.569 0.755 19800 5271 1 20 . 1 1 40 40 GLN CB C 40 28.254 28.254 28.730 -0.476 19800 5272 1 20 . 1 1 41 41 MET N N 41 119.672 119.672 119.157 0.515 19800 5273 1 20 . 1 1 41 41 MET HA H 41 4.032 4.032 4.081 -0.049 19800 5274 1 20 . 1 1 41 41 MET C C 41 177.125 177.125 177.412 -0.287 19800 5275 1 20 . 1 1 41 41 MET CA C 41 57.763 57.763 58.194 -0.431 19800 5276 1 20 . 1 1 41 41 MET CB C 41 31.579 31.579 32.638 -1.059 19800 5277 1 20 . 1 1 42 42 HIS N N 42 115.329 115.329 113.425 1.904 19800 5278 1 20 . 1 1 42 42 HIS HA H 42 4.371 4.371 4.419 -0.048 19800 5279 1 20 . 1 1 42 42 HIS C C 42 171.216 171.216 174.260 -3.044 19800 5280 1 20 . 1 1 42 42 HIS CA C 42 54.601 54.601 56.423 -1.822 19800 5281 1 20 . 1 1 42 42 HIS CB C 42 27.399 27.399 29.663 -2.264 19800 5282 1 20 . 1 1 43 43 ASN N N 43 112.995 112.995 116.919 -3.924 19800 5283 1 20 . 1 1 43 43 ASN HA H 43 4.293 4.293 4.369 -0.076 19800 5284 1 20 . 1 1 43 43 ASN C C 43 173.011 173.011 174.194 -1.183 19800 5285 1 20 . 1 1 43 43 ASN CA C 43 54.571 54.571 53.848 0.723 19800 5286 1 20 . 1 1 43 43 ASN CB C 43 36.981 36.981 36.921 0.060 19800 5287 1 20 . 1 1 44 44 ILE N N 44 120.077 120.077 119.216 0.861 19800 5288 1 20 . 1 1 44 44 ILE HA H 44 4.225 4.225 4.407 -0.182 19800 5289 1 20 . 1 1 44 44 ILE C C 44 174.630 174.630 175.175 -0.545 19800 5290 1 20 . 1 1 44 44 ILE CA C 44 60.469 60.469 59.955 0.514 19800 5291 1 20 . 1 1 44 44 ILE CB C 44 39.933 39.933 40.538 -0.605 19800 5292 1 20 . 1 1 45 45 GLU N N 45 129.083 129.083 127.648 1.435 19800 5293 1 20 . 1 1 45 45 GLU HA H 45 4.144 4.144 4.242 -0.098 19800 5294 1 20 . 1 1 45 45 GLU C C 45 174.368 174.368 174.798 -0.430 19800 5295 1 20 . 1 1 45 45 GLU CA C 45 56.121 56.121 56.627 -0.506 19800 5296 1 20 . 1 1 45 45 GLU CB C 45 29.979 29.979 29.239 0.740 19800 5297 1 20 . 1 1 46 46 ALA N N 46 127.014 127.014 127.813 -0.799 19800 5298 1 20 . 1 1 46 46 ALA HA H 46 5.087 5.087 5.064 0.023 19800 5299 1 20 . 1 1 46 46 ALA C C 46 175.515 175.515 176.279 -0.764 19800 5300 1 20 . 1 1 46 46 ALA CA C 46 50.426 50.426 50.561 -0.135 19800 5301 1 20 . 1 1 46 46 ALA CB C 46 23.581 23.581 21.964 1.617 19800 5302 1 20 . 1 1 47 47 ASN N N 47 117.293 117.293 119.753 -2.460 19800 5303 1 20 . 1 1 47 47 ASN HA H 47 5.059 5.059 4.968 0.091 19800 5304 1 20 . 1 1 47 47 ASN C C 47 172.618 172.618 173.212 -0.594 19800 5305 1 20 . 1 1 47 47 ASN CA C 47 51.733 51.733 52.334 -0.601 19800 5306 1 20 . 1 1 47 47 ASN CB C 47 41.163 41.163 42.484 -1.321 19800 5307 1 20 . 1 1 48 48 LYS N N 48 121.209 121.209 124.237 -3.028 19800 5308 1 20 . 1 1 48 48 LYS HA H 48 5.302 5.302 4.592 0.710 19800 5309 1 20 . 1 1 48 48 LYS C C 48 175.186 175.186 176.174 -0.988 19800 5310 1 20 . 1 1 48 48 LYS CA C 48 54.377 54.377 55.789 -1.412 19800 5311 1 20 . 1 1 48 48 LYS CB C 48 34.817 34.817 33.347 1.470 19800 5312 1 20 . 1 1 49 49 ILE N N 49 127.508 127.508 124.222 3.286 19800 5313 1 20 . 1 1 49 49 ILE HA H 49 4.335 4.335 4.534 -0.199 19800 5314 1 20 . 1 1 49 49 ILE C C 49 175.247 175.247 173.796 1.451 19800 5315 1 20 . 1 1 49 49 ILE CA C 49 59.683 59.683 60.299 -0.616 19800 5316 1 20 . 1 1 49 49 ILE CB C 49 39.941 39.941 39.111 0.830 19800 5317 1 20 . 1 1 50 50 ASP N N 50 127.775 127.775 128.298 -0.523 19800 5318 1 20 . 1 1 50 50 ASP HA H 50 3.854 3.854 5.060 -1.206 19800 5319 1 20 . 1 1 50 50 ASP C C 50 177.327 177.327 175.311 2.016 19800 5320 1 20 . 1 1 50 50 ASP CA C 50 53.639 53.639 53.278 0.361 19800 5321 1 20 . 1 1 50 50 ASP CB C 50 40.857 40.857 42.941 -2.084 19800 5322 1 20 . 1 1 51 51 SER N N 51 123.948 123.948 119.954 3.994 19800 5323 1 20 . 1 1 51 51 SER HA H 51 4.660 4.660 4.648 0.012 19800 5324 1 20 . 1 1 51 51 SER C C 51 177.258 177.258 175.269 1.989 19800 5325 1 20 . 1 1 51 51 SER CA C 51 57.111 57.111 57.593 -0.482 19800 5326 1 20 . 1 1 51 51 SER CB C 51 63.271 63.271 65.287 -2.015 19800 5327 1 20 . 1 1 52 52 GLY N N 52 112.626 112.626 111.224 1.402 19800 5328 1 20 . 1 1 52 52 GLY C C 52 178.261 178.261 174.882 3.379 19800 5329 1 20 . 1 1 52 52 GLY CA C 52 46.450 46.450 46.895 -0.445 19800 5330 1 20 . 1 1 53 53 LYS HA H 53 4.119 4.119 4.172 -0.053 19800 5331 1 20 . 1 1 53 53 LYS C C 53 178.526 178.526 176.592 1.934 19800 5332 1 20 . 1 1 53 53 LYS CA C 53 58.349 58.349 57.517 0.832 19800 5333 1 20 . 1 1 53 53 LYS CB C 53 32.038 32.038 32.167 -0.129 19800 5334 1 20 . 1 1 54 54 LEU N N 54 117.133 117.133 117.675 -0.542 19800 5335 1 20 . 1 1 54 54 LEU HA H 54 4.309 4.309 4.389 -0.080 19800 5336 1 20 . 1 1 54 54 LEU C C 54 178.832 178.832 176.616 2.216 19800 5337 1 20 . 1 1 54 54 LEU CA C 54 54.958 54.958 55.337 -0.379 19800 5338 1 20 . 1 1 54 54 LEU CB C 54 41.155 41.155 44.397 -3.242 19800 5339 1 20 . 1 1 55 55 GLY N N 55 106.946 106.946 107.098 -0.152 19800 5340 1 20 . 1 1 55 55 GLY C C 55 172.511 172.511 173.013 -0.502 19800 5341 1 20 . 1 1 55 55 GLY CA C 55 44.519 44.519 45.193 -0.674 19800 5342 1 20 . 1 1 56 56 TYR N N 56 119.500 119.500 123.359 -3.859 19800 5343 1 20 . 1 1 56 56 TYR HA H 56 5.267 5.267 4.903 0.364 19800 5344 1 20 . 1 1 56 56 TYR C C 56 177.412 177.412 174.205 3.207 19800 5345 1 20 . 1 1 56 56 TYR CA C 56 57.986 57.986 57.849 0.137 19800 5346 1 20 . 1 1 56 56 TYR CB C 56 40.838 40.838 41.978 -1.140 19800 5347 1 20 . 1 1 57 57 SER N N 57 114.460 114.460 115.260 -0.800 19800 5348 1 20 . 1 1 57 57 SER HA H 57 5.386 5.386 4.929 0.457 19800 5349 1 20 . 1 1 57 57 SER C C 57 171.818 171.818 172.516 -0.698 19800 5350 1 20 . 1 1 57 57 SER CA C 57 55.817 55.817 56.900 -1.083 19800 5351 1 20 . 1 1 57 57 SER CB C 57 65.566 65.566 67.093 -1.527 19800 5352 1 20 . 1 1 58 58 ILE N N 58 121.240 121.240 120.142 1.098 19800 5353 1 20 . 1 1 58 58 ILE HA H 58 5.538 5.538 4.909 0.629 19800 5354 1 20 . 1 1 58 58 ILE C C 58 176.822 176.822 175.645 1.177 19800 5355 1 20 . 1 1 58 58 ILE CA C 58 57.040 57.040 59.347 -2.307 19800 5356 1 20 . 1 1 58 58 ILE CB C 58 39.157 39.157 39.676 -0.519 19800 5357 1 20 . 1 1 59 59 THR N N 59 118.505 118.505 118.277 0.228 19800 5358 1 20 . 1 1 59 59 THR HA H 59 5.435 5.435 4.935 0.500 19800 5359 1 20 . 1 1 59 59 THR C C 59 172.703 172.703 172.845 -0.142 19800 5360 1 20 . 1 1 59 59 THR CA C 59 58.889 58.889 59.964 -1.075 19800 5361 1 20 . 1 1 59 59 THR CB C 59 71.574 71.574 70.933 0.641 19800 5362 1 20 . 1 1 60 60 VAL N N 60 111.299 111.299 117.710 -6.411 19800 5363 1 20 . 1 1 60 60 VAL HA H 60 4.787 4.787 4.953 -0.166 19800 5364 1 20 . 1 1 60 60 VAL C C 60 173.802 173.802 174.097 -0.295 19800 5365 1 20 . 1 1 60 60 VAL CA C 60 58.594 58.594 58.630 -0.036 19800 5366 1 20 . 1 1 60 60 VAL CB C 60 36.560 36.560 36.144 0.416 19800 5367 1 20 . 1 1 61 61 ALA N N 61 125.688 125.688 121.654 4.034 19800 5368 1 20 . 1 1 61 61 ALA HA H 61 4.678 4.678 4.254 0.424 19800 5369 1 20 . 1 1 61 61 ALA C C 61 182.244 182.244 178.732 3.512 19800 5370 1 20 . 1 1 61 61 ALA CA C 61 52.304 52.304 52.932 -0.628 19800 5371 1 20 . 1 1 61 61 ALA CB C 61 19.742 19.742 19.329 0.412 19800 5372 1 20 . 1 1 62 62 GLU N N 62 122.612 122.612 124.203 -1.591 19800 5373 1 20 . 1 1 62 62 GLU HA H 62 3.970 3.970 4.091 -0.121 19800 5374 1 20 . 1 1 62 62 GLU C C 62 175.922 175.922 176.759 -0.837 19800 5375 1 20 . 1 1 62 62 GLU CA C 62 62.328 62.328 60.775 1.554 19800 5376 1 20 . 1 1 62 62 GLU CB C 62 27.421 27.421 28.508 -1.087 19800 5377 1 20 . 1 1 63 63 PRO HA H 63 4.486 4.486 4.343 0.143 19800 5378 1 20 . 1 1 63 63 PRO C C 63 178.721 178.721 177.443 1.278 19800 5379 1 20 . 1 1 63 63 PRO CA C 63 65.517 65.517 64.689 0.828 19800 5380 1 20 . 1 1 63 63 PRO CB C 63 31.124 31.124 31.507 -0.383 19800 5381 1 20 . 1 1 64 64 ASP N N 64 115.002 115.002 116.559 -1.557 19800 5382 1 20 . 1 1 64 64 ASP HA H 64 4.994 4.994 4.794 0.200 19800 5383 1 20 . 1 1 64 64 ASP C C 64 176.565 176.565 176.439 0.126 19800 5384 1 20 . 1 1 64 64 ASP CA C 64 54.701 54.701 54.540 0.161 19800 5385 1 20 . 1 1 64 64 ASP CB C 64 43.082 43.082 41.365 1.717 19800 5386 1 20 . 1 1 65 65 PHE N N 65 122.010 122.010 121.095 0.915 19800 5387 1 20 . 1 1 65 65 PHE HA H 65 3.926 3.926 4.176 -0.250 19800 5388 1 20 . 1 1 65 65 PHE C C 65 175.918 175.918 176.431 -0.513 19800 5389 1 20 . 1 1 65 65 PHE CA C 65 63.611 63.611 61.518 2.093 19800 5390 1 20 . 1 1 65 65 PHE CB C 65 40.354 40.354 39.430 0.924 19800 5391 1 20 . 1 1 66 66 THR N N 66 112.195 112.195 113.717 -1.522 19800 5392 1 20 . 1 1 66 66 THR HA H 66 3.660 3.660 3.583 0.077 19800 5393 1 20 . 1 1 66 66 THR C C 66 178.106 178.106 175.435 2.671 19800 5394 1 20 . 1 1 66 66 THR CA C 66 66.742 66.742 65.345 1.397 19800 5395 1 20 . 1 1 66 66 THR CB C 66 68.412 68.412 68.398 0.014 19800 5396 1 20 . 1 1 67 67 ALA N N 67 124.955 124.955 122.409 2.546 19800 5397 1 20 . 1 1 67 67 ALA HA H 67 4.044 4.044 3.805 0.239 19800 5398 1 20 . 1 1 67 67 ALA C C 67 180.268 180.268 178.294 1.974 19800 5399 1 20 . 1 1 67 67 ALA CA C 67 54.618 54.618 54.296 0.322 19800 5400 1 20 . 1 1 67 67 ALA CB C 67 18.408 18.408 17.923 0.485 19800 5401 1 20 . 1 1 68 68 ALA N N 68 119.593 119.593 121.304 -1.711 19800 5402 1 20 . 1 1 68 68 ALA HA H 68 3.966 3.966 3.775 0.191 19800 5403 1 20 . 1 1 68 68 ALA C C 68 181.033 181.033 179.029 2.004 19800 5404 1 20 . 1 1 68 68 ALA CA C 68 55.623 55.623 54.871 0.752 19800 5405 1 20 . 1 1 68 68 ALA CB C 68 19.802 19.802 18.132 1.670 19800 5406 1 20 . 1 1 69 69 VAL N N 69 115.582 115.582 118.036 -2.454 19800 5407 1 20 . 1 1 69 69 VAL HA H 69 3.257 3.257 3.355 -0.098 19800 5408 1 20 . 1 1 69 69 VAL C C 69 179.000 179.000 177.780 1.220 19800 5409 1 20 . 1 1 69 69 VAL CA C 69 66.077 66.077 66.449 -0.372 19800 5410 1 20 . 1 1 69 69 VAL CB C 69 31.684 31.684 30.883 0.801 19800 5411 1 20 . 1 1 70 70 TYR N N 70 118.722 118.722 118.163 0.559 19800 5412 1 20 . 1 1 70 70 TYR HA H 70 3.805 3.805 3.994 -0.189 19800 5413 1 20 . 1 1 70 70 TYR C C 70 180.084 180.084 177.519 2.565 19800 5414 1 20 . 1 1 70 70 TYR CA C 70 61.459 61.459 60.362 1.097 19800 5415 1 20 . 1 1 70 70 TYR CB C 70 37.712 37.712 37.054 0.658 19800 5416 1 20 . 1 1 71 71 TRP N N 71 117.180 117.180 117.017 0.163 19800 5417 1 20 . 1 1 71 71 TRP HA H 71 4.482 4.482 4.250 0.232 19800 5418 1 20 . 1 1 71 71 TRP C C 71 180.643 180.643 179.209 1.434 19800 5419 1 20 . 1 1 71 71 TRP CA C 71 58.833 58.833 58.104 0.729 19800 5420 1 20 . 1 1 71 71 TRP CB C 71 30.133 30.133 29.462 0.671 19800 5421 1 20 . 1 1 72 72 ILE N N 72 113.422 113.422 118.541 -5.119 19800 5422 1 20 . 1 1 72 72 ILE HA H 72 4.452 4.452 3.865 0.587 19800 5423 1 20 . 1 1 72 72 ILE C C 72 178.490 178.490 178.403 0.087 19800 5424 1 20 . 1 1 72 72 ILE CA C 72 61.563 61.563 62.100 -0.537 19800 5425 1 20 . 1 1 72 72 ILE CB C 72 37.491 37.491 36.362 1.129 19800 5426 1 20 . 1 1 73 73 LYS N N 73 120.911 120.911 120.349 0.562 19800 5427 1 20 . 1 1 73 73 LYS HA H 73 4.177 4.177 4.082 0.095 19800 5428 1 20 . 1 1 73 73 LYS C C 73 179.460 179.460 177.570 1.890 19800 5429 1 20 . 1 1 73 73 LYS CA C 73 58.310 58.310 59.096 -0.786 19800 5430 1 20 . 1 1 73 73 LYS CB C 73 32.247 32.247 32.190 0.057 19800 5431 1 20 . 1 1 74 74 THR N N 74 110.017 110.017 113.071 -3.054 19800 5432 1 20 . 1 1 74 74 THR HA H 74 4.140 4.140 4.176 -0.036 19800 5433 1 20 . 1 1 74 74 THR C C 74 174.574 174.574 174.984 -0.410 19800 5434 1 20 . 1 1 74 74 THR CA C 74 63.019 63.019 64.142 -1.123 19800 5435 1 20 . 1 1 74 74 THR CB C 74 69.394 69.394 69.307 0.087 19800 5436 1 20 . 1 1 75 75 TYR N N 75 122.005 122.005 124.055 -2.050 19800 5437 1 20 . 1 1 75 75 TYR HA H 75 4.468 4.468 4.444 0.024 19800 5438 1 20 . 1 1 75 75 TYR C C 75 174.634 174.634 174.718 -0.084 19800 5439 1 20 . 1 1 75 75 TYR CA C 75 58.964 58.964 57.969 0.995 19800 5440 1 20 . 1 1 75 75 TYR CB C 75 38.945 38.945 38.568 0.377 19800 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 2.838 0.634 2.792 19800 2 1 1 "Average Difference" HA 56 0.382 0.019 0.385 19800 3 1 1 "Average Difference" C 56 1.987 -1.083 1.681 19800 4 1 1 "Average Difference" CA 56 0.891 -0.184 0.880 19800 5 1 1 "Average Difference" CB 53 1.355 -0.011 1.368 19800 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 19800 7 1 2 "Average Difference" N 54 2.622 0.819 2.514 19800 8 1 2 "Average Difference" HA 56 0.332 -0.059 0.330 19800 9 1 2 "Average Difference" C 56 2.083 -1.115 1.775 19800 10 1 2 "Average Difference" CA 56 0.933 0.046 0.940 19800 11 1 2 "Average Difference" CB 53 1.401 -0.137 1.408 19800 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 19800 13 1 3 "Average Difference" N 54 2.869 0.743 2.797 19800 14 1 3 "Average Difference" HA 56 0.305 -0.022 0.307 19800 15 1 3 "Average Difference" C 56 2.087 -1.026 1.834 19800 16 1 3 "Average Difference" CA 56 0.973 0.007 0.982 19800 17 1 3 "Average Difference" CB 53 1.369 -0.137 1.375 19800 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 19800 19 1 4 "Average Difference" N 54 3.097 0.843 3.008 19800 20 1 4 "Average Difference" HA 56 0.377 -0.019 0.380 19800 21 1 4 "Average Difference" C 56 2.062 -1.085 1.769 19800 22 1 4 "Average Difference" CA 56 0.913 -0.158 0.908 19800 23 1 4 "Average Difference" CB 53 1.555 -0.294 1.542 19800 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 19800 25 1 5 "Average Difference" N 54 2.427 0.531 2.391 19800 26 1 5 "Average Difference" HA 56 0.342 -0.009 0.345 19800 27 1 5 "Average Difference" C 56 2.101 -1.145 1.778 19800 28 1 5 "Average Difference" CA 56 0.879 -0.033 0.886 19800 29 1 5 "Average Difference" CB 53 1.380 -0.087 1.390 19800 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 19800 31 1 6 "Average Difference" N 54 3.061 0.778 2.988 19800 32 1 6 "Average Difference" HA 56 0.355 -0.020 0.358 19800 33 1 6 "Average Difference" C 56 2.121 -1.143 1.803 19800 34 1 6 "Average Difference" CA 56 0.959 -0.115 0.960 19800 35 1 6 "Average Difference" CB 53 1.499 -0.097 1.510 19800 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 19800 37 1 7 "Average Difference" N 54 2.863 0.758 2.787 19800 38 1 7 "Average Difference" HA 56 0.371 -0.042 0.372 19800 39 1 7 "Average Difference" C 56 2.036 -1.097 1.731 19800 40 1 7 "Average Difference" CA 56 0.902 -0.097 0.904 19800 41 1 7 "Average Difference" CB 53 1.466 -0.231 1.462 19800 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 19800 43 1 8 "Average Difference" N 54 2.703 0.391 2.700 19800 44 1 8 "Average Difference" HA 56 0.310 -0.049 0.309 19800 45 1 8 "Average Difference" C 56 1.999 -1.077 1.700 19800 46 1 8 "Average Difference" CA 56 0.894 0.060 0.900 19800 47 1 8 "Average Difference" CB 53 1.408 -0.131 1.415 19800 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 19800 49 1 9 "Average Difference" N 54 2.374 0.666 2.300 19800 50 1 9 "Average Difference" HA 56 0.353 -0.057 0.352 19800 51 1 9 "Average Difference" C 56 2.065 -1.115 1.753 19800 52 1 9 "Average Difference" CA 56 0.924 0.012 0.932 19800 53 1 9 "Average Difference" CB 53 1.567 -0.193 1.570 19800 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 19800 55 1 10 "Average Difference" N 54 2.507 0.421 2.495 19800 56 1 10 "Average Difference" HA 56 0.366 -0.053 0.365 19800 57 1 10 "Average Difference" C 56 2.218 -1.229 1.863 19800 58 1 10 "Average Difference" CA 56 1.005 0.008 1.014 19800 59 1 10 "Average Difference" CB 53 1.468 -0.001 1.482 19800 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 19800 61 1 11 "Average Difference" N 54 2.727 0.405 2.722 19800 62 1 11 "Average Difference" HA 56 0.322 0.001 0.325 19800 63 1 11 "Average Difference" C 56 2.136 -1.166 1.806 19800 64 1 11 "Average Difference" CA 56 0.983 -0.161 0.979 19800 65 1 11 "Average Difference" CB 53 1.439 -0.134 1.446 19800 66 1 11 "Average Difference" HN 0 0.000 0.000 0.000 19800 67 1 12 "Average Difference" N 54 2.714 0.490 2.694 19800 68 1 12 "Average Difference" HA 56 0.343 -0.023 0.346 19800 69 1 12 "Average Difference" C 56 2.080 -1.163 1.740 19800 70 1 12 "Average Difference" CA 56 0.777 -0.064 0.781 19800 71 1 12 "Average Difference" CB 53 1.532 -0.072 1.545 19800 72 1 12 "Average Difference" HN 0 0.000 0.000 0.000 19800 73 1 13 "Average Difference" N 54 3.154 0.700 3.105 19800 74 1 13 "Average Difference" HA 56 0.383 -0.041 0.385 19800 75 1 13 "Average Difference" C 56 2.103 -1.097 1.811 19800 76 1 13 "Average Difference" CA 56 1.006 0.000 1.015 19800 77 1 13 "Average Difference" CB 53 1.478 -0.154 1.484 19800 78 1 13 "Average Difference" HN 0 0.000 0.000 0.000 19800 79 1 14 "Average Difference" N 54 2.914 0.591 2.880 19800 80 1 14 "Average Difference" HA 56 0.279 -0.066 0.273 19800 81 1 14 "Average Difference" C 56 2.082 -1.171 1.736 19800 82 1 14 "Average Difference" CA 56 0.959 0.014 0.968 19800 83 1 14 "Average Difference" CB 53 1.328 -0.120 1.335 19800 84 1 14 "Average Difference" HN 0 0.000 0.000 0.000 19800 85 1 15 "Average Difference" N 54 2.807 0.723 2.738 19800 86 1 15 "Average Difference" HA 56 0.375 -0.048 0.375 19800 87 1 15 "Average Difference" C 56 2.081 -1.104 1.780 19800 88 1 15 "Average Difference" CA 56 0.904 0.002 0.913 19800 89 1 15 "Average Difference" CB 53 1.488 -0.158 1.494 19800 90 1 15 "Average Difference" HN 0 0.000 0.000 0.000 19800 91 1 16 "Average Difference" N 54 2.317 0.505 2.282 19800 92 1 16 "Average Difference" HA 56 0.346 -0.017 0.349 19800 93 1 16 "Average Difference" C 56 2.061 -1.122 1.745 19800 94 1 16 "Average Difference" CA 56 0.840 -0.070 0.844 19800 95 1 16 "Average Difference" CB 53 1.334 -0.129 1.341 19800 96 1 16 "Average Difference" HN 0 0.000 0.000 0.000 19800 97 1 17 "Average Difference" N 54 2.770 0.757 2.690 19800 98 1 17 "Average Difference" HA 56 0.372 -0.031 0.374 19800 99 1 17 "Average Difference" C 56 2.112 -1.149 1.788 19800 100 1 17 "Average Difference" CA 56 0.918 -0.027 0.926 19800 101 1 17 "Average Difference" CB 53 1.417 -0.115 1.426 19800 102 1 17 "Average Difference" HN 0 0.000 0.000 0.000 19800 103 1 18 "Average Difference" N 54 2.739 0.928 2.601 19800 104 1 18 "Average Difference" HA 56 0.313 -0.023 0.315 19800 105 1 18 "Average Difference" C 56 2.143 -1.172 1.811 19800 106 1 18 "Average Difference" CA 56 0.938 -0.156 0.934 19800 107 1 18 "Average Difference" CB 53 1.529 -0.121 1.538 19800 108 1 18 "Average Difference" HN 0 0.000 0.000 0.000 19800 109 1 19 "Average Difference" N 54 3.091 0.519 3.076 19800 110 1 19 "Average Difference" HA 56 0.347 -0.053 0.346 19800 111 1 19 "Average Difference" C 56 2.170 -1.069 1.905 19800 112 1 19 "Average Difference" CA 56 0.953 0.042 0.961 19800 113 1 19 "Average Difference" CB 53 1.499 -0.188 1.502 19800 114 1 19 "Average Difference" HN 0 0.000 0.000 0.000 19800 115 1 20 "Average Difference" N 54 2.358 0.524 2.321 19800 116 1 20 "Average Difference" HA 56 0.326 -0.051 0.325 19800 117 1 20 "Average Difference" C 56 2.124 -1.235 1.743 19800 118 1 20 "Average Difference" CA 56 0.939 -0.048 0.946 19800 119 1 20 "Average Difference" CB 53 1.493 -0.011 1.507 19800 120 1 20 "Average Difference" HN 0 0.000 0.000 0.000 19800 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 19800 _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 20 20 ASP N N 20 121.855 121.855 119.862 1.993 19800 2 1 . 1 1 20 20 ASP HA H 20 4.824 4.824 4.626 0.198 19800 3 1 . 1 1 20 20 ASP C C 20 176.378 176.378 175.444 0.934 19800 4 1 . 1 1 20 20 ASP CA C 20 54.063 54.063 54.310 -0.247 19800 5 1 . 1 1 20 20 ASP CB C 20 41.753 41.753 40.825 0.928 19800 6 1 . 1 1 21 21 LYS N N 21 121.556 121.556 122.110 -0.554 19800 7 1 . 1 1 21 21 LYS HA H 21 4.493 4.493 4.404 0.089 19800 8 1 . 1 1 21 21 LYS C C 21 175.887 175.887 175.694 0.193 19800 9 1 . 1 1 21 21 LYS CA C 21 54.395 54.395 54.790 -0.395 19800 10 1 . 1 1 21 21 LYS CB C 21 35.006 35.006 33.773 1.233 19800 11 1 . 1 1 22 22 ASP N N 22 123.097 123.097 124.194 -1.097 19800 12 1 . 1 1 22 22 ASP HA H 22 4.558 4.558 4.568 -0.010 19800 13 1 . 1 1 22 22 ASP C C 22 175.402 175.402 175.700 -0.298 19800 14 1 . 1 1 22 22 ASP CA C 22 55.514 55.514 54.545 0.969 19800 15 1 . 1 1 22 22 ASP CB C 22 40.854 40.854 40.753 0.101 19800 16 1 . 1 1 23 23 LEU N N 23 126.265 126.265 125.367 0.898 19800 17 1 . 1 1 23 23 LEU HA H 23 4.680 4.680 4.525 0.155 19800 18 1 . 1 1 23 23 LEU C C 23 176.338 176.338 175.786 0.552 19800 19 1 . 1 1 23 23 LEU CA C 23 56.204 56.204 55.968 0.236 19800 20 1 . 1 1 23 23 LEU CB C 23 45.211 45.211 43.442 1.769 19800 21 1 . 1 1 24 24 LEU N N 24 114.484 114.484 117.580 -3.096 19800 22 1 . 1 1 24 24 LEU HA H 24 4.789 4.789 4.591 0.198 19800 23 1 . 1 1 24 24 LEU C C 24 174.976 174.976 175.273 -0.297 19800 24 1 . 1 1 24 24 LEU CA C 24 53.674 53.674 53.775 -0.101 19800 25 1 . 1 1 24 24 LEU CB C 24 49.345 49.345 44.593 4.752 19800 26 1 . 1 1 25 25 LYS N N 25 118.529 118.529 120.600 -2.071 19800 27 1 . 1 1 25 25 LYS HA H 25 4.994 4.994 4.569 0.425 19800 28 1 . 1 1 25 25 LYS C C 25 176.242 176.242 176.608 -0.366 19800 29 1 . 1 1 25 25 LYS CA C 25 55.210 55.210 55.465 -0.255 19800 30 1 . 1 1 25 25 LYS CB C 25 35.992 35.992 33.515 2.477 19800 31 1 . 1 1 26 26 GLY N N 26 107.756 107.756 112.506 -4.750 19800 32 1 . 1 1 26 26 GLY C C 26 176.034 176.034 173.978 2.056 19800 33 1 . 1 1 26 26 GLY CA C 26 46.394 46.394 45.747 0.647 19800 34 1 . 1 1 27 27 LEU N N 27 120.147 120.147 121.119 -0.972 19800 35 1 . 1 1 27 27 LEU HA H 27 4.601 4.601 4.607 -0.006 19800 36 1 . 1 1 27 27 LEU C C 27 179.874 179.874 175.768 4.106 19800 37 1 . 1 1 27 27 LEU CA C 27 54.325 54.325 54.338 -0.013 19800 38 1 . 1 1 27 27 LEU CB C 27 43.622 43.622 43.895 -0.273 19800 39 1 . 1 1 28 28 ASP N N 28 119.966 119.966 122.400 -2.434 19800 40 1 . 1 1 28 28 ASP HA H 28 5.096 5.096 4.887 0.209 19800 41 1 . 1 1 28 28 ASP C C 28 177.406 177.406 176.887 0.519 19800 42 1 . 1 1 28 28 ASP CA C 28 52.835 52.835 53.605 -0.770 19800 43 1 . 1 1 28 28 ASP CB C 28 41.180 41.180 43.490 -2.310 19800 44 1 . 1 1 29 29 GLN N N 29 118.219 118.219 120.582 -2.363 19800 45 1 . 1 1 29 29 GLN HA H 29 2.969 2.969 3.763 -0.794 19800 46 1 . 1 1 29 29 GLN C C 29 178.379 178.379 177.503 0.876 19800 47 1 . 1 1 29 29 GLN CA C 29 59.978 59.978 59.117 0.861 19800 48 1 . 1 1 29 29 GLN CB C 29 28.897 28.897 28.363 0.534 19800 49 1 . 1 1 30 30 GLU N N 30 118.429 118.429 117.492 0.937 19800 50 1 . 1 1 30 30 GLU HA H 30 3.986 3.986 3.996 -0.010 19800 51 1 . 1 1 30 30 GLU C C 30 182.812 182.812 178.739 4.073 19800 52 1 . 1 1 30 30 GLU CA C 30 59.730 59.730 58.900 0.830 19800 53 1 . 1 1 30 30 GLU CB C 30 28.936 28.936 28.964 -0.028 19800 54 1 . 1 1 31 31 GLN N N 31 120.672 120.672 118.580 2.092 19800 55 1 . 1 1 31 31 GLN HA H 31 4.068 4.068 4.247 -0.179 19800 56 1 . 1 1 31 31 GLN C C 31 180.864 180.864 178.112 2.752 19800 57 1 . 1 1 31 31 GLN CA C 31 58.612 58.612 57.598 1.014 19800 58 1 . 1 1 31 31 GLN CB C 31 29.844 29.844 28.819 1.025 19800 59 1 . 1 1 32 32 ALA N N 32 120.200 120.200 122.854 -2.654 19800 60 1 . 1 1 32 32 ALA HA H 32 3.771 3.771 3.981 -0.211 19800 61 1 . 1 1 32 32 ALA C C 32 180.339 180.339 178.684 1.655 19800 62 1 . 1 1 32 32 ALA CA C 32 55.122 55.122 54.656 0.466 19800 63 1 . 1 1 32 32 ALA CB C 32 17.289 17.289 18.209 -0.920 19800 64 1 . 1 1 33 33 ASN N N 33 115.507 115.507 116.839 -1.332 19800 65 1 . 1 1 33 33 ASN HA H 33 4.292 4.292 4.348 -0.056 19800 66 1 . 1 1 33 33 ASN C C 33 180.713 180.713 177.407 3.306 19800 67 1 . 1 1 33 33 ASN CA C 33 55.479 55.479 56.662 -1.183 19800 68 1 . 1 1 33 33 ASN CB C 33 37.104 37.104 38.401 -1.297 19800 69 1 . 1 1 34 34 GLU N N 34 122.826 122.826 118.883 3.943 19800 70 1 . 1 1 34 34 GLU HA H 34 4.083 4.083 4.075 0.008 19800 71 1 . 1 1 34 34 GLU C C 34 180.367 180.367 178.624 1.743 19800 72 1 . 1 1 34 34 GLU CA C 34 59.486 59.486 58.795 0.691 19800 73 1 . 1 1 34 34 GLU CB C 34 29.370 29.370 29.420 -0.050 19800 74 1 . 1 1 35 35 VAL N N 35 119.909 119.909 119.715 0.194 19800 75 1 . 1 1 35 35 VAL HA H 35 3.373 3.373 3.556 -0.183 19800 76 1 . 1 1 35 35 VAL C C 35 179.502 179.502 177.890 1.612 19800 77 1 . 1 1 35 35 VAL CA C 35 66.809 66.809 65.882 0.927 19800 78 1 . 1 1 35 35 VAL CB C 35 31.000 31.000 31.838 -0.838 19800 79 1 . 1 1 36 36 ILE N N 36 118.626 118.626 120.076 -1.450 19800 80 1 . 1 1 36 36 ILE HA H 36 3.514 3.514 3.683 -0.170 19800 81 1 . 1 1 36 36 ILE C C 36 180.436 180.436 176.812 3.624 19800 82 1 . 1 1 36 36 ILE CA C 36 64.355 64.355 64.014 0.341 19800 83 1 . 1 1 36 36 ILE CB C 36 36.534 36.534 37.760 -1.226 19800 84 1 . 1 1 37 37 ALA N N 37 122.361 122.361 122.947 -0.586 19800 85 1 . 1 1 37 37 ALA HA H 37 4.145 4.145 4.012 0.133 19800 86 1 . 1 1 37 37 ALA C C 37 183.902 183.902 179.261 4.641 19800 87 1 . 1 1 37 37 ALA CA C 37 55.433 55.433 55.257 0.176 19800 88 1 . 1 1 37 37 ALA CB C 37 17.807 17.807 17.985 -0.178 19800 89 1 . 1 1 38 38 VAL N N 38 120.987 120.987 118.856 2.131 19800 90 1 . 1 1 38 38 VAL HA H 38 3.630 3.630 3.701 -0.071 19800 91 1 . 1 1 38 38 VAL C C 38 180.529 180.529 177.560 2.970 19800 92 1 . 1 1 38 38 VAL CA C 38 66.453 66.453 65.393 1.060 19800 93 1 . 1 1 38 38 VAL CB C 38 31.763 31.763 31.842 -0.079 19800 94 1 . 1 1 39 39 LEU N N 39 119.408 119.408 119.894 -0.486 19800 95 1 . 1 1 39 39 LEU HA H 39 3.929 3.929 4.018 -0.089 19800 96 1 . 1 1 39 39 LEU C C 39 183.063 183.063 179.059 4.004 19800 97 1 . 1 1 39 39 LEU CA C 39 58.544 58.544 57.674 0.870 19800 98 1 . 1 1 39 39 LEU CB C 39 39.409 39.409 40.783 -1.374 19800 99 1 . 1 1 40 40 GLN N N 40 121.514 121.514 119.128 2.386 19800 100 1 . 1 1 40 40 GLN HA H 40 3.928 3.928 4.051 -0.123 19800 101 1 . 1 1 40 40 GLN C C 40 183.366 183.366 179.115 4.251 19800 102 1 . 1 1 40 40 GLN CA C 40 59.324 59.324 58.593 0.731 19800 103 1 . 1 1 40 40 GLN CB C 40 28.254 28.254 28.683 -0.429 19800 104 1 . 1 1 41 41 MET N N 41 119.672 119.672 118.275 1.397 19800 105 1 . 1 1 41 41 MET HA H 41 4.032 4.032 4.171 -0.139 19800 106 1 . 1 1 41 41 MET C C 41 177.125 177.125 177.075 0.050 19800 107 1 . 1 1 41 41 MET CA C 41 57.763 57.763 57.550 0.213 19800 108 1 . 1 1 41 41 MET CB C 41 31.579 31.579 32.512 -0.933 19800 109 1 . 1 1 42 42 HIS N N 42 115.329 115.329 114.554 0.775 19800 110 1 . 1 1 42 42 HIS HA H 42 4.371 4.371 4.484 -0.114 19800 111 1 . 1 1 42 42 HIS C C 42 171.216 171.216 174.429 -3.213 19800 112 1 . 1 1 42 42 HIS CA C 42 54.601 54.601 56.118 -1.517 19800 113 1 . 1 1 42 42 HIS CB C 42 27.399 27.399 29.491 -2.091 19800 114 1 . 1 1 43 43 ASN N N 43 112.995 112.995 115.402 -2.407 19800 115 1 . 1 1 43 43 ASN HA H 43 4.293 4.293 4.350 -0.057 19800 116 1 . 1 1 43 43 ASN C C 43 173.011 173.011 174.242 -1.231 19800 117 1 . 1 1 43 43 ASN CA C 43 54.571 54.571 54.382 0.189 19800 118 1 . 1 1 43 43 ASN CB C 43 36.981 36.981 37.243 -0.262 19800 119 1 . 1 1 44 44 ILE N N 44 120.077 120.077 119.721 0.356 19800 120 1 . 1 1 44 44 ILE HA H 44 4.225 4.225 4.371 -0.147 19800 121 1 . 1 1 44 44 ILE C C 44 174.630 174.630 174.911 -0.281 19800 122 1 . 1 1 44 44 ILE CA C 44 60.469 60.469 60.093 0.376 19800 123 1 . 1 1 44 44 ILE CB C 44 39.933 39.933 39.986 -0.053 19800 124 1 . 1 1 45 45 GLU N N 45 129.083 129.083 128.171 0.912 19800 125 1 . 1 1 45 45 GLU HA H 45 4.144 4.144 4.248 -0.104 19800 126 1 . 1 1 45 45 GLU C C 45 174.368 174.368 175.030 -0.662 19800 127 1 . 1 1 45 45 GLU CA C 45 56.121 56.121 56.633 -0.512 19800 128 1 . 1 1 45 45 GLU CB C 45 29.979 29.979 29.751 0.228 19800 129 1 . 1 1 46 46 ALA N N 46 127.014 127.014 128.340 -1.326 19800 130 1 . 1 1 46 46 ALA HA H 46 5.087 5.087 4.747 0.340 19800 131 1 . 1 1 46 46 ALA C C 46 175.515 175.515 176.314 -0.799 19800 132 1 . 1 1 46 46 ALA CA C 46 50.426 50.426 50.854 -0.428 19800 133 1 . 1 1 46 46 ALA CB C 46 23.581 23.581 20.899 2.682 19800 134 1 . 1 1 47 47 ASN N N 47 117.293 117.293 121.565 -4.272 19800 135 1 . 1 1 47 47 ASN HA H 47 5.059 5.059 4.999 0.060 19800 136 1 . 1 1 47 47 ASN C C 47 172.618 172.618 173.913 -1.295 19800 137 1 . 1 1 47 47 ASN CA C 47 51.733 51.733 52.302 -0.569 19800 138 1 . 1 1 47 47 ASN CB C 47 41.163 41.163 42.028 -0.865 19800 139 1 . 1 1 48 48 LYS N N 48 121.209 121.209 122.726 -1.517 19800 140 1 . 1 1 48 48 LYS HA H 48 5.302 5.302 4.831 0.471 19800 141 1 . 1 1 48 48 LYS C C 48 175.186 175.186 176.268 -1.082 19800 142 1 . 1 1 48 48 LYS CA C 48 54.377 54.377 55.505 -1.128 19800 143 1 . 1 1 48 48 LYS CB C 48 34.817 34.817 33.470 1.347 19800 144 1 . 1 1 49 49 ILE N N 49 127.508 127.508 122.938 4.570 19800 145 1 . 1 1 49 49 ILE HA H 49 4.335 4.335 4.497 -0.162 19800 146 1 . 1 1 49 49 ILE C C 49 175.247 175.247 174.078 1.169 19800 147 1 . 1 1 49 49 ILE CA C 49 59.683 59.683 60.155 -0.472 19800 148 1 . 1 1 49 49 ILE CB C 49 39.941 39.941 39.060 0.881 19800 149 1 . 1 1 50 50 ASP N N 50 127.775 127.775 127.104 0.671 19800 150 1 . 1 1 50 50 ASP HA H 50 3.854 3.854 5.188 -1.334 19800 151 1 . 1 1 50 50 ASP C C 50 177.327 177.327 175.498 1.829 19800 152 1 . 1 1 50 50 ASP CA C 50 53.639 53.639 53.079 0.560 19800 153 1 . 1 1 50 50 ASP CB C 50 40.857 40.857 42.416 -1.559 19800 154 1 . 1 1 51 51 SER N N 51 123.948 123.948 119.060 4.888 19800 155 1 . 1 1 51 51 SER HA H 51 4.660 4.660 4.647 0.013 19800 156 1 . 1 1 51 51 SER C C 51 177.258 177.258 175.221 2.037 19800 157 1 . 1 1 51 51 SER CA C 51 57.111 57.111 57.361 -0.250 19800 158 1 . 1 1 51 51 SER CB C 51 63.271 63.271 65.623 -2.352 19800 159 1 . 1 1 52 52 GLY N N 52 112.626 112.626 111.415 1.211 19800 160 1 . 1 1 52 52 GLY C C 52 178.261 178.261 174.932 3.329 19800 161 1 . 1 1 52 52 GLY CA C 52 46.450 46.450 46.983 -0.533 19800 162 1 . 1 1 53 53 LYS HA H 53 4.119 4.119 4.247 -0.128 19800 163 1 . 1 1 53 53 LYS C C 53 178.526 178.526 176.725 1.800 19800 164 1 . 1 1 53 53 LYS CA C 53 58.349 58.349 57.080 1.269 19800 165 1 . 1 1 53 53 LYS CB C 53 32.038 32.038 31.949 0.089 19800 166 1 . 1 1 54 54 LEU N N 54 117.133 117.133 118.605 -1.472 19800 167 1 . 1 1 54 54 LEU HA H 54 4.309 4.309 4.442 -0.133 19800 168 1 . 1 1 54 54 LEU C C 54 178.832 178.832 176.822 2.010 19800 169 1 . 1 1 54 54 LEU CA C 54 54.958 54.958 55.166 -0.208 19800 170 1 . 1 1 54 54 LEU CB C 54 41.155 41.155 44.039 -2.884 19800 171 1 . 1 1 55 55 GLY N N 55 106.946 106.946 106.771 0.175 19800 172 1 . 1 1 55 55 GLY C C 55 172.511 172.511 172.712 -0.201 19800 173 1 . 1 1 55 55 GLY CA C 55 44.519 44.519 45.135 -0.616 19800 174 1 . 1 1 56 56 TYR N N 56 119.500 119.500 122.970 -3.470 19800 175 1 . 1 1 56 56 TYR HA H 56 5.267 5.267 4.989 0.278 19800 176 1 . 1 1 56 56 TYR C C 56 177.412 177.412 174.537 2.875 19800 177 1 . 1 1 56 56 TYR CA C 56 57.986 57.986 57.773 0.213 19800 178 1 . 1 1 56 56 TYR CB C 56 40.838 40.838 40.993 -0.155 19800 179 1 . 1 1 57 57 SER N N 57 114.460 114.460 116.445 -1.985 19800 180 1 . 1 1 57 57 SER HA H 57 5.386 5.386 4.880 0.506 19800 181 1 . 1 1 57 57 SER C C 57 171.818 171.818 172.716 -0.898 19800 182 1 . 1 1 57 57 SER CA C 57 55.817 55.817 56.759 -0.942 19800 183 1 . 1 1 57 57 SER CB C 57 65.566 65.566 66.942 -1.376 19800 184 1 . 1 1 58 58 ILE N N 58 121.240 121.240 121.490 -0.250 19800 185 1 . 1 1 58 58 ILE HA H 58 5.538 5.538 4.887 0.651 19800 186 1 . 1 1 58 58 ILE C C 58 176.822 176.822 175.939 0.883 19800 187 1 . 1 1 58 58 ILE CA C 58 57.040 57.040 59.424 -2.384 19800 188 1 . 1 1 58 58 ILE CB C 58 39.157 39.157 38.389 0.768 19800 189 1 . 1 1 59 59 THR N N 59 118.505 118.505 120.950 -2.445 19800 190 1 . 1 1 59 59 THR HA H 59 5.435 5.435 4.784 0.651 19800 191 1 . 1 1 59 59 THR C C 59 172.703 172.703 173.282 -0.579 19800 192 1 . 1 1 59 59 THR CA C 59 58.889 58.889 60.245 -1.356 19800 193 1 . 1 1 59 59 THR CB C 59 71.574 71.574 70.707 0.867 19800 194 1 . 1 1 60 60 VAL N N 60 111.299 111.299 119.552 -8.253 19800 195 1 . 1 1 60 60 VAL HA H 60 4.787 4.787 4.967 -0.180 19800 196 1 . 1 1 60 60 VAL C C 60 173.802 173.802 174.621 -0.819 19800 197 1 . 1 1 60 60 VAL CA C 60 58.594 58.594 58.497 0.097 19800 198 1 . 1 1 60 60 VAL CB C 60 36.560 36.560 35.311 1.249 19800 199 1 . 1 1 61 61 ALA N N 61 125.688 125.688 121.940 3.748 19800 200 1 . 1 1 61 61 ALA HA H 61 4.678 4.678 4.240 0.438 19800 201 1 . 1 1 61 61 ALA C C 61 182.244 182.244 178.739 3.505 19800 202 1 . 1 1 61 61 ALA CA C 61 52.304 52.304 52.712 -0.408 19800 203 1 . 1 1 61 61 ALA CB C 61 19.742 19.742 19.214 0.528 19800 204 1 . 1 1 62 62 GLU N N 62 122.612 122.612 122.195 0.417 19800 205 1 . 1 1 62 62 GLU HA H 62 3.970 3.970 4.071 -0.101 19800 206 1 . 1 1 62 62 GLU C C 62 175.922 175.922 176.924 -1.001 19800 207 1 . 1 1 62 62 GLU CA C 62 62.328 62.328 60.913 1.415 19800 208 1 . 1 1 62 62 GLU CB C 62 27.421 27.421 28.005 -0.584 19800 209 1 . 1 1 63 63 PRO HA H 63 4.486 4.486 4.392 0.094 19800 210 1 . 1 1 63 63 PRO C C 63 178.721 178.721 177.410 1.311 19800 211 1 . 1 1 63 63 PRO CA C 63 65.517 65.517 64.613 0.904 19800 212 1 . 1 1 63 63 PRO CB C 63 31.124 31.124 31.402 -0.278 19800 213 1 . 1 1 64 64 ASP N N 64 115.002 115.002 118.121 -3.119 19800 214 1 . 1 1 64 64 ASP HA H 64 4.994 4.994 4.735 0.259 19800 215 1 . 1 1 64 64 ASP C C 64 176.565 176.565 176.784 -0.218 19800 216 1 . 1 1 64 64 ASP CA C 64 54.701 54.701 54.862 -0.161 19800 217 1 . 1 1 64 64 ASP CB C 64 43.082 43.082 40.905 2.177 19800 218 1 . 1 1 65 65 PHE N N 65 122.010 122.010 121.658 0.352 19800 219 1 . 1 1 65 65 PHE HA H 65 3.926 3.926 4.144 -0.218 19800 220 1 . 1 1 65 65 PHE C C 65 175.918 175.918 176.532 -0.614 19800 221 1 . 1 1 65 65 PHE CA C 65 63.611 63.611 61.562 2.049 19800 222 1 . 1 1 65 65 PHE CB C 65 40.354 40.354 39.253 1.101 19800 223 1 . 1 1 66 66 THR N N 66 112.195 112.195 114.111 -1.916 19800 224 1 . 1 1 66 66 THR HA H 66 3.660 3.660 3.772 -0.112 19800 225 1 . 1 1 66 66 THR C C 66 178.106 178.106 175.971 2.135 19800 226 1 . 1 1 66 66 THR CA C 66 66.742 66.742 65.883 0.859 19800 227 1 . 1 1 66 66 THR CB C 66 68.412 68.412 68.465 -0.053 19800 228 1 . 1 1 67 67 ALA N N 67 124.955 124.955 122.732 2.223 19800 229 1 . 1 1 67 67 ALA HA H 67 4.044 4.044 3.714 0.330 19800 230 1 . 1 1 67 67 ALA C C 67 180.268 180.268 178.564 1.704 19800 231 1 . 1 1 67 67 ALA CA C 67 54.618 54.618 54.312 0.306 19800 232 1 . 1 1 67 67 ALA CB C 67 18.408 18.408 17.963 0.445 19800 233 1 . 1 1 68 68 ALA N N 68 119.593 119.593 121.618 -2.026 19800 234 1 . 1 1 68 68 ALA HA H 68 3.966 3.966 3.941 0.025 19800 235 1 . 1 1 68 68 ALA C C 68 181.033 181.033 179.366 1.667 19800 236 1 . 1 1 68 68 ALA CA C 68 55.623 55.623 55.079 0.544 19800 237 1 . 1 1 68 68 ALA CB C 68 19.802 19.802 18.126 1.676 19800 238 1 . 1 1 69 69 VAL N N 69 115.582 115.582 117.580 -1.998 19800 239 1 . 1 1 69 69 VAL HA H 69 3.257 3.257 3.441 -0.184 19800 240 1 . 1 1 69 69 VAL C C 69 179.000 179.000 177.779 1.221 19800 241 1 . 1 1 69 69 VAL CA C 69 66.077 66.077 66.302 -0.225 19800 242 1 . 1 1 69 69 VAL CB C 69 31.684 31.684 31.056 0.628 19800 243 1 . 1 1 70 70 TYR N N 70 118.722 118.722 120.156 -1.434 19800 244 1 . 1 1 70 70 TYR HA H 70 3.805 3.805 4.016 -0.211 19800 245 1 . 1 1 70 70 TYR C C 70 180.084 180.084 177.531 2.553 19800 246 1 . 1 1 70 70 TYR CA C 70 61.459 61.459 61.507 -0.048 19800 247 1 . 1 1 70 70 TYR CB C 70 37.712 37.712 37.942 -0.230 19800 248 1 . 1 1 71 71 TRP N N 71 117.180 117.180 118.489 -1.309 19800 249 1 . 1 1 71 71 TRP HA H 71 4.482 4.482 4.307 0.175 19800 250 1 . 1 1 71 71 TRP C C 71 180.643 180.643 178.856 1.787 19800 251 1 . 1 1 71 71 TRP CA C 71 58.833 58.833 58.613 0.220 19800 252 1 . 1 1 71 71 TRP CB C 71 30.133 30.133 29.612 0.521 19800 253 1 . 1 1 72 72 ILE N N 72 113.422 113.422 118.364 -4.942 19800 254 1 . 1 1 72 72 ILE HA H 72 4.452 4.452 3.881 0.571 19800 255 1 . 1 1 72 72 ILE C C 72 178.490 178.490 178.071 0.419 19800 256 1 . 1 1 72 72 ILE CA C 72 61.563 61.563 62.321 -0.758 19800 257 1 . 1 1 72 72 ILE CB C 72 37.491 37.491 36.495 0.996 19800 258 1 . 1 1 73 73 LYS N N 73 120.911 120.911 120.394 0.517 19800 259 1 . 1 1 73 73 LYS HA H 73 4.177 4.177 4.129 0.048 19800 260 1 . 1 1 73 73 LYS C C 73 179.460 179.460 177.892 1.568 19800 261 1 . 1 1 73 73 LYS CA C 73 58.310 58.310 58.763 -0.453 19800 262 1 . 1 1 73 73 LYS CB C 73 32.247 32.247 32.009 0.238 19800 263 1 . 1 1 74 74 THR N N 74 110.017 110.017 112.485 -2.468 19800 264 1 . 1 1 74 74 THR HA H 74 4.140 4.140 4.235 -0.095 19800 265 1 . 1 1 74 74 THR C C 74 174.574 174.574 174.830 -0.256 19800 266 1 . 1 1 74 74 THR CA C 74 63.019 63.019 63.673 -0.654 19800 267 1 . 1 1 74 74 THR CB C 74 69.394 69.394 69.129 0.265 19800 268 1 . 1 1 75 75 TYR N N 75 122.005 122.005 122.698 -0.694 19800 269 1 . 1 1 75 75 TYR HA H 75 4.468 4.468 4.497 -0.029 19800 270 1 . 1 1 75 75 TYR C C 75 174.634 174.634 175.066 -0.432 19800 271 1 . 1 1 75 75 TYR CA C 75 58.964 58.964 58.824 0.140 19800 272 1 . 1 1 75 75 TYR CB C 75 38.945 38.945 39.096 -0.151 19800 stop_ save_