data_19710 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19710 _Entry.PDB_ID 2MJ8 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 19710 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ALA HA H 2 4.257 4.257 4.277 -0.020 19710 2 1 1 . 1 1 2 2 ALA CA C 2 52.527 52.527 51.851 0.676 19710 3 1 1 . 1 1 2 2 ALA CB C 2 19.363 19.363 18.936 0.427 19710 4 1 1 . 1 1 4 4 GLY C C 4 173.756 173.756 173.170 0.586 19710 5 1 1 . 1 1 4 4 GLY CA C 4 45.291 45.291 45.317 -0.026 19710 6 1 1 . 1 1 5 5 ASP N N 5 120.203 120.203 121.199 -0.996 19710 7 1 1 . 1 1 5 5 ASP HA H 5 4.451 4.451 4.454 -0.003 19710 8 1 1 . 1 1 5 5 ASP C C 5 175.671 175.671 176.755 -1.084 19710 9 1 1 . 1 1 5 5 ASP CA C 5 54.422 54.422 55.295 -0.873 19710 10 1 1 . 1 1 5 5 ASP CB C 5 41.179 41.179 41.324 -0.145 19710 11 1 1 . 1 1 5 5 ASP H H 5 8.028 8.028 8.295 -0.267 19710 12 1 1 . 1 1 6 6 LEU N N 6 121.200 121.200 121.695 -0.495 19710 13 1 1 . 1 1 6 6 LEU HA H 6 4.135 4.135 4.331 -0.196 19710 14 1 1 . 1 1 6 6 LEU C C 6 176.638 176.638 175.597 1.041 19710 15 1 1 . 1 1 6 6 LEU CA C 6 55.097 55.097 53.722 1.375 19710 16 1 1 . 1 1 6 6 LEU CB C 6 42.364 42.364 40.142 2.222 19710 17 1 1 . 1 1 6 6 LEU H H 6 7.873 7.873 7.816 0.057 19710 18 1 1 . 1 1 7 7 TYR N N 7 121.938 121.938 121.191 0.747 19710 19 1 1 . 1 1 7 7 TYR HA H 7 4.631 4.631 3.989 0.642 19710 20 1 1 . 1 1 7 7 TYR C C 7 175.047 175.047 175.935 -0.888 19710 21 1 1 . 1 1 7 7 TYR CA C 7 57.261 57.261 57.803 -0.542 19710 22 1 1 . 1 1 7 7 TYR CB C 7 38.921 38.921 38.395 0.526 19710 23 1 1 . 1 1 7 7 TYR H H 7 8.011 8.011 6.790 1.221 19710 24 1 1 . 1 1 8 8 GLU N N 8 122.393 122.393 121.984 0.409 19710 25 1 1 . 1 1 8 8 GLU HA H 8 4.769 4.769 4.250 0.519 19710 26 1 1 . 1 1 8 8 GLU C C 8 175.583 175.583 176.031 -0.448 19710 27 1 1 . 1 1 8 8 GLU CA C 8 54.988 54.988 56.533 -1.545 19710 28 1 1 . 1 1 8 8 GLU CB C 8 32.551 32.551 29.181 3.369 19710 29 1 1 . 1 1 8 8 GLU H H 8 9.047 9.047 8.660 0.387 19710 30 1 1 . 1 1 9 9 VAL N N 9 126.546 126.546 123.144 3.402 19710 31 1 1 . 1 1 9 9 VAL HA H 9 3.092 3.092 4.573 -1.481 19710 32 1 1 . 1 1 9 9 VAL C C 9 175.170 175.170 176.009 -0.839 19710 33 1 1 . 1 1 9 9 VAL CA C 9 64.309 64.309 62.757 1.552 19710 34 1 1 . 1 1 9 9 VAL CB C 9 32.983 32.983 31.949 1.034 19710 35 1 1 . 1 1 9 9 VAL H H 9 8.677 8.677 8.208 0.469 19710 36 1 1 . 1 1 10 10 GLU N N 10 126.674 126.674 130.677 -4.003 19710 37 1 1 . 1 1 10 10 GLU HA H 10 4.234 4.234 4.332 -0.098 19710 38 1 1 . 1 1 10 10 GLU C C 10 175.505 175.505 176.327 -0.822 19710 39 1 1 . 1 1 10 10 GLU CA C 10 57.459 57.459 57.940 -0.481 19710 40 1 1 . 1 1 10 10 GLU CB C 10 31.296 31.296 30.712 0.584 19710 41 1 1 . 1 1 10 10 GLU H H 10 9.120 9.120 8.827 0.293 19710 42 1 1 . 1 1 11 11 ARG N N 11 111.321 111.321 111.843 -0.522 19710 43 1 1 . 1 1 11 11 ARG HA H 11 4.115 4.115 4.878 -0.763 19710 44 1 1 . 1 1 11 11 ARG C C 11 172.330 172.330 174.273 -1.943 19710 45 1 1 . 1 1 11 11 ARG CA C 11 54.723 54.723 55.007 -0.284 19710 46 1 1 . 1 1 11 11 ARG CB C 11 32.309 32.309 32.322 -0.013 19710 47 1 1 . 1 1 11 11 ARG H H 11 7.476 7.476 7.734 -0.258 19710 48 1 1 . 1 1 12 12 ILE N N 12 120.610 120.610 120.389 0.221 19710 49 1 1 . 1 1 12 12 ILE HA H 12 4.085 4.085 4.148 -0.063 19710 50 1 1 . 1 1 12 12 ILE C C 12 175.353 175.353 176.292 -0.939 19710 51 1 1 . 1 1 12 12 ILE CA C 12 60.515 60.515 62.450 -1.935 19710 52 1 1 . 1 1 12 12 ILE CB C 12 38.338 38.338 38.022 0.316 19710 53 1 1 . 1 1 12 12 ILE H H 12 8.295 8.295 8.531 -0.236 19710 54 1 1 . 1 1 13 13 VAL N N 13 122.026 122.026 128.495 -6.469 19710 55 1 1 . 1 1 13 13 VAL HA H 13 4.047 4.047 3.907 0.140 19710 56 1 1 . 1 1 13 13 VAL C C 13 175.311 175.311 176.147 -0.836 19710 57 1 1 . 1 1 13 13 VAL CA C 13 62.460 62.460 65.031 -2.571 19710 58 1 1 . 1 1 13 13 VAL CB C 13 33.344 33.344 32.509 0.835 19710 59 1 1 . 1 1 13 13 VAL H H 13 8.939 8.939 8.811 0.128 19710 60 1 1 . 1 1 14 14 ASP N N 14 117.407 117.407 116.594 0.813 19710 61 1 1 . 1 1 14 14 ASP HA H 14 4.776 4.776 4.719 0.057 19710 62 1 1 . 1 1 14 14 ASP C C 14 173.374 173.374 173.196 0.178 19710 63 1 1 . 1 1 14 14 ASP CA C 14 53.034 53.034 52.976 0.058 19710 64 1 1 . 1 1 14 14 ASP CB C 14 43.749 43.749 43.448 0.301 19710 65 1 1 . 1 1 14 14 ASP H H 14 7.236 7.236 7.902 -0.666 19710 66 1 1 . 1 1 15 15 LYS N N 15 118.628 118.628 118.419 0.209 19710 67 1 1 . 1 1 15 15 LYS HA H 15 5.517 5.517 4.631 0.886 19710 68 1 1 . 1 1 15 15 LYS C C 15 173.885 173.885 174.280 -0.395 19710 69 1 1 . 1 1 15 15 LYS CA C 15 55.716 55.716 54.036 1.680 19710 70 1 1 . 1 1 15 15 LYS CB C 15 37.575 37.575 35.688 1.887 19710 71 1 1 . 1 1 15 15 LYS H H 15 9.430 9.430 7.977 1.453 19710 72 1 1 . 1 1 16 16 ARG N N 16 120.175 120.175 118.329 1.846 19710 73 1 1 . 1 1 16 16 ARG HA H 16 4.872 4.872 4.489 0.383 19710 74 1 1 . 1 1 16 16 ARG C C 16 172.365 172.365 173.585 -1.220 19710 75 1 1 . 1 1 16 16 ARG CA C 16 54.680 54.680 54.935 -0.255 19710 76 1 1 . 1 1 16 16 ARG CB C 16 32.460 32.460 32.899 -0.439 19710 77 1 1 . 1 1 16 16 ARG H H 16 9.326 9.326 8.831 0.495 19710 78 1 1 . 1 1 17 17 LYS N N 17 122.374 122.374 120.597 1.777 19710 79 1 1 . 1 1 17 17 LYS HA H 17 4.306 4.306 4.844 -0.538 19710 80 1 1 . 1 1 17 17 LYS C C 17 176.978 176.978 176.210 0.768 19710 81 1 1 . 1 1 17 17 LYS CA C 17 54.557 54.557 54.222 0.334 19710 82 1 1 . 1 1 17 17 LYS CB C 17 33.310 33.310 34.176 -0.866 19710 83 1 1 . 1 1 17 17 LYS H H 17 8.480 8.480 8.252 0.228 19710 84 1 1 . 1 1 18 18 ASN N N 18 123.092 123.092 123.184 -0.092 19710 85 1 1 . 1 1 18 18 ASN HA H 18 4.482 4.482 4.731 -0.249 19710 86 1 1 . 1 1 18 18 ASN CA C 18 50.611 50.611 52.538 -1.927 19710 87 1 1 . 1 1 18 18 ASN CB C 18 39.055 39.055 40.590 -1.535 19710 88 1 1 . 1 1 18 18 ASN H H 18 8.736 8.736 8.702 0.034 19710 89 1 1 . 1 1 19 19 LYS HA H 19 3.939 3.939 4.142 -0.203 19710 90 1 1 . 1 1 19 19 LYS C C 19 177.548 177.548 177.101 0.447 19710 91 1 1 . 1 1 19 19 LYS CA C 19 58.543 58.543 58.518 0.025 19710 92 1 1 . 1 1 19 19 LYS CB C 19 31.933 31.933 31.574 0.359 19710 93 1 1 . 1 1 20 20 LYS N N 20 117.362 117.362 119.500 -2.138 19710 94 1 1 . 1 1 20 20 LYS HA H 20 4.262 4.262 4.314 -0.052 19710 95 1 1 . 1 1 20 20 LYS C C 20 176.514 176.514 176.238 0.276 19710 96 1 1 . 1 1 20 20 LYS CA C 20 55.489 55.489 55.794 -0.305 19710 97 1 1 . 1 1 20 20 LYS CB C 20 32.105 32.105 32.736 -0.631 19710 98 1 1 . 1 1 20 20 LYS H H 20 7.491 7.491 8.036 -0.545 19710 99 1 1 . 1 1 21 21 GLY N N 21 107.275 107.275 107.815 -0.540 19710 100 1 1 . 1 1 21 21 GLY C C 21 173.503 173.503 173.742 -0.239 19710 101 1 1 . 1 1 21 21 GLY CA C 21 45.413 45.413 45.483 -0.070 19710 102 1 1 . 1 1 21 21 GLY H H 21 7.966 7.966 7.685 0.281 19710 103 1 1 . 1 1 22 22 LYS N N 22 119.753 119.753 118.081 1.672 19710 104 1 1 . 1 1 22 22 LYS HA H 22 4.380 4.380 4.763 -0.383 19710 105 1 1 . 1 1 22 22 LYS C C 22 175.319 175.319 176.151 -0.832 19710 106 1 1 . 1 1 22 22 LYS CA C 22 53.197 53.197 54.291 -1.094 19710 107 1 1 . 1 1 22 22 LYS CB C 22 33.531 33.531 33.945 -0.414 19710 108 1 1 . 1 1 22 22 LYS H H 22 7.457 7.457 7.826 -0.369 19710 109 1 1 . 1 1 23 23 TRP N N 23 120.227 120.227 122.298 -2.071 19710 110 1 1 . 1 1 23 23 TRP HA H 23 4.837 4.837 5.063 -0.226 19710 111 1 1 . 1 1 23 23 TRP C C 23 176.246 176.246 176.422 -0.176 19710 112 1 1 . 1 1 23 23 TRP CA C 23 57.338 57.338 56.648 0.690 19710 113 1 1 . 1 1 23 23 TRP CB C 23 31.142 31.142 29.224 1.918 19710 114 1 1 . 1 1 23 23 TRP H H 23 8.564 8.564 9.018 -0.454 19710 115 1 1 . 1 1 24 24 GLU N N 24 120.044 120.044 122.728 -2.684 19710 116 1 1 . 1 1 24 24 GLU HA H 24 4.921 4.921 5.091 -0.170 19710 117 1 1 . 1 1 24 24 GLU C C 24 174.505 174.505 175.325 -0.820 19710 118 1 1 . 1 1 24 24 GLU CA C 24 54.223 54.223 55.340 -1.117 19710 119 1 1 . 1 1 24 24 GLU CB C 24 33.711 33.711 33.324 0.387 19710 120 1 1 . 1 1 24 24 GLU H H 24 9.257 9.257 8.514 0.743 19710 121 1 1 . 1 1 25 25 TYR N N 25 118.993 118.993 122.980 -3.987 19710 122 1 1 . 1 1 25 25 TYR HA H 25 5.017 5.017 4.643 0.374 19710 123 1 1 . 1 1 25 25 TYR C C 25 173.068 173.068 175.223 -2.155 19710 124 1 1 . 1 1 25 25 TYR CA C 25 57.173 57.173 57.155 0.018 19710 125 1 1 . 1 1 25 25 TYR CB C 25 41.873 41.873 39.629 2.244 19710 126 1 1 . 1 1 25 25 TYR H H 25 9.119 9.119 9.421 -0.302 19710 127 1 1 . 1 1 26 26 LEU N N 26 128.028 128.028 126.617 1.411 19710 128 1 1 . 1 1 26 26 LEU HA H 26 3.632 3.632 4.630 -0.998 19710 129 1 1 . 1 1 26 26 LEU C C 26 173.813 173.813 175.563 -1.750 19710 130 1 1 . 1 1 26 26 LEU CA C 26 53.371 53.371 55.185 -1.814 19710 131 1 1 . 1 1 26 26 LEU CB C 26 39.946 39.946 42.050 -2.104 19710 132 1 1 . 1 1 26 26 LEU H H 26 7.788 7.788 8.173 -0.385 19710 133 1 1 . 1 1 27 27 ILE N N 27 130.050 130.050 126.893 3.157 19710 134 1 1 . 1 1 27 27 ILE HA H 27 3.604 3.604 4.479 -0.875 19710 135 1 1 . 1 1 27 27 ILE C C 27 173.398 173.398 174.641 -1.243 19710 136 1 1 . 1 1 27 27 ILE CA C 27 58.760 58.760 58.456 0.304 19710 137 1 1 . 1 1 27 27 ILE CB C 27 38.186 38.186 39.170 -0.984 19710 138 1 1 . 1 1 27 27 ILE H H 27 8.752 8.752 9.104 -0.352 19710 139 1 1 . 1 1 28 28 ARG N N 28 123.071 123.071 122.966 0.105 19710 140 1 1 . 1 1 28 28 ARG HA H 28 4.474 4.474 4.560 -0.086 19710 141 1 1 . 1 1 28 28 ARG C C 28 174.476 174.476 174.595 -0.119 19710 142 1 1 . 1 1 28 28 ARG CA C 28 52.104 52.104 54.675 -2.571 19710 143 1 1 . 1 1 28 28 ARG CB C 28 29.007 29.007 32.539 -3.532 19710 144 1 1 . 1 1 28 28 ARG H H 28 7.453 7.453 8.570 -1.117 19710 145 1 1 . 1 1 29 29 TRP N N 29 132.787 132.787 122.195 10.592 19710 146 1 1 . 1 1 29 29 TRP HA H 29 4.731 4.731 5.263 -0.532 19710 147 1 1 . 1 1 29 29 TRP C C 29 176.623 176.623 176.464 0.159 19710 148 1 1 . 1 1 29 29 TRP CA C 29 55.653 55.653 53.980 1.673 19710 149 1 1 . 1 1 29 29 TRP CB C 29 31.065 31.065 30.961 0.104 19710 150 1 1 . 1 1 29 29 TRP H H 29 9.197 9.197 8.567 0.630 19710 151 1 1 . 1 1 30 30 LYS N N 30 122.843 122.843 122.052 0.791 19710 152 1 1 . 1 1 30 30 LYS HA H 30 4.212 4.212 4.309 -0.097 19710 153 1 1 . 1 1 30 30 LYS C C 30 177.688 177.688 177.713 -0.025 19710 154 1 1 . 1 1 30 30 LYS CA C 30 58.203 58.203 58.225 -0.022 19710 155 1 1 . 1 1 30 30 LYS CB C 30 33.152 33.152 33.042 0.110 19710 156 1 1 . 1 1 30 30 LYS H H 30 9.134 9.134 8.603 0.531 19710 157 1 1 . 1 1 31 31 GLY N N 31 113.057 113.057 112.944 0.113 19710 158 1 1 . 1 1 31 31 GLY C C 31 173.562 173.562 174.614 -1.052 19710 159 1 1 . 1 1 31 31 GLY CA C 31 44.973 44.973 45.386 -0.413 19710 160 1 1 . 1 1 31 31 GLY H H 31 8.646 8.646 8.985 -0.339 19710 161 1 1 . 1 1 32 32 TYR N N 32 119.993 119.993 121.253 -1.260 19710 162 1 1 . 1 1 32 32 TYR HA H 32 4.620 4.620 4.769 -0.149 19710 163 1 1 . 1 1 32 32 TYR C C 32 175.254 175.254 177.132 -1.878 19710 164 1 1 . 1 1 32 32 TYR CA C 32 57.742 57.742 58.907 -1.165 19710 165 1 1 . 1 1 32 32 TYR CB C 32 40.377 40.377 40.103 0.273 19710 166 1 1 . 1 1 32 32 TYR H H 32 8.119 8.119 7.610 0.509 19710 167 1 1 . 1 1 33 33 GLY N N 33 106.930 106.930 108.762 -1.832 19710 168 1 1 . 1 1 33 33 GLY CA C 33 44.052 44.052 47.316 -3.264 19710 169 1 1 . 1 1 33 33 GLY H H 33 8.510 8.510 8.419 0.091 19710 170 1 1 . 1 1 34 34 SER HA H 34 4.437 4.437 4.275 0.162 19710 171 1 1 . 1 1 34 34 SER C C 34 176.594 176.594 176.452 0.142 19710 172 1 1 . 1 1 34 34 SER CA C 34 60.033 60.033 62.027 -1.994 19710 173 1 1 . 1 1 34 34 SER CB C 34 63.310 63.310 63.276 0.034 19710 174 1 1 . 1 1 35 35 THR N N 35 113.722 113.722 114.428 -0.706 19710 175 1 1 . 1 1 35 35 THR HA H 35 4.117 4.117 4.276 -0.159 19710 176 1 1 . 1 1 35 35 THR C C 35 175.474 175.474 175.042 0.432 19710 177 1 1 . 1 1 35 35 THR CA C 35 63.751 63.751 62.965 0.786 19710 178 1 1 . 1 1 35 35 THR CB C 35 68.542 68.542 68.455 0.087 19710 179 1 1 . 1 1 35 35 THR H H 35 7.788 7.788 7.753 0.035 19710 180 1 1 . 1 1 36 36 GLU N N 36 120.073 120.073 121.424 -1.351 19710 181 1 1 . 1 1 36 36 GLU HA H 36 4.386 4.386 4.218 0.168 19710 182 1 1 . 1 1 36 36 GLU C C 36 175.013 175.013 176.320 -1.307 19710 183 1 1 . 1 1 36 36 GLU CA C 36 55.865 55.865 56.284 -0.419 19710 184 1 1 . 1 1 36 36 GLU CB C 36 29.794 29.794 30.243 -0.449 19710 185 1 1 . 1 1 36 36 GLU H H 36 7.825 7.825 7.491 0.334 19710 186 1 1 . 1 1 37 37 ASP N N 37 121.647 121.647 120.418 1.229 19710 187 1 1 . 1 1 37 37 ASP HA H 37 5.075 5.075 4.331 0.744 19710 188 1 1 . 1 1 37 37 ASP C C 37 178.071 178.071 176.056 2.015 19710 189 1 1 . 1 1 37 37 ASP CA C 37 55.606 55.606 54.817 0.789 19710 190 1 1 . 1 1 37 37 ASP CB C 37 39.712 39.712 39.394 0.318 19710 191 1 1 . 1 1 37 37 ASP H H 37 7.386 7.386 7.738 -0.352 19710 192 1 1 . 1 1 38 38 THR N N 38 111.963 111.963 116.933 -4.970 19710 193 1 1 . 1 1 38 38 THR HA H 38 4.675 4.675 4.461 0.214 19710 194 1 1 . 1 1 38 38 THR C C 38 173.399 173.399 173.005 0.394 19710 195 1 1 . 1 1 38 38 THR CA C 38 59.483 59.483 60.209 -0.726 19710 196 1 1 . 1 1 38 38 THR CB C 38 71.810 71.810 70.993 0.817 19710 197 1 1 . 1 1 38 38 THR H H 38 7.821 7.821 8.263 -0.442 19710 198 1 1 . 1 1 39 39 TRP N N 39 123.340 123.340 126.008 -2.668 19710 199 1 1 . 1 1 39 39 TRP HA H 39 4.835 4.835 5.077 -0.242 19710 200 1 1 . 1 1 39 39 TRP C C 39 177.090 177.090 174.974 2.116 19710 201 1 1 . 1 1 39 39 TRP CA C 39 56.443 56.443 54.750 1.693 19710 202 1 1 . 1 1 39 39 TRP CB C 39 29.574 29.574 29.005 0.569 19710 203 1 1 . 1 1 39 39 TRP H H 39 8.546 8.546 7.862 0.684 19710 204 1 1 . 1 1 40 40 GLU N N 40 124.822 124.822 124.540 0.282 19710 205 1 1 . 1 1 40 40 GLU HA H 40 5.196 5.196 4.960 0.236 19710 206 1 1 . 1 1 40 40 GLU CA C 40 51.859 51.859 52.569 -0.710 19710 207 1 1 . 1 1 40 40 GLU CB C 40 31.934 31.934 31.607 0.327 19710 208 1 1 . 1 1 40 40 GLU H H 40 9.710 9.710 8.804 0.906 19710 209 1 1 . 1 1 41 41 PRO HA H 41 4.783 4.783 4.632 0.151 19710 210 1 1 . 1 1 41 41 PRO C C 41 178.201 178.201 178.406 -0.205 19710 211 1 1 . 1 1 41 41 PRO CA C 41 62.030 62.030 63.202 -1.172 19710 212 1 1 . 1 1 41 41 PRO CB C 41 32.833 32.833 32.791 0.042 19710 213 1 1 . 1 1 42 42 GLU N N 42 118.959 118.959 124.058 -5.099 19710 214 1 1 . 1 1 42 42 GLU HA H 42 3.984 3.984 3.803 0.181 19710 215 1 1 . 1 1 42 42 GLU C C 42 177.841 177.841 178.197 -0.356 19710 216 1 1 . 1 1 42 42 GLU CA C 42 60.156 60.156 59.788 0.368 19710 217 1 1 . 1 1 42 42 GLU CB C 42 30.554 30.554 29.907 0.647 19710 218 1 1 . 1 1 42 42 GLU H H 42 8.531 8.531 8.436 0.095 19710 219 1 1 . 1 1 43 43 HIS N N 43 113.679 113.679 114.185 -0.506 19710 220 1 1 . 1 1 43 43 HIS HA H 43 4.592 4.592 4.579 0.013 19710 221 1 1 . 1 1 43 43 HIS C C 43 176.547 176.547 175.414 1.133 19710 222 1 1 . 1 1 43 43 HIS CA C 43 58.187 58.187 57.349 0.838 19710 223 1 1 . 1 1 43 43 HIS CB C 43 29.362 29.362 29.362 0.000 19710 224 1 1 . 1 1 43 43 HIS H H 43 7.998 7.998 8.568 -0.570 19710 225 1 1 . 1 1 44 44 HIS N N 44 119.428 119.428 117.724 1.704 19710 226 1 1 . 1 1 44 44 HIS HA H 44 4.886 4.886 4.707 0.179 19710 227 1 1 . 1 1 44 44 HIS C C 44 175.566 175.566 175.383 0.183 19710 228 1 1 . 1 1 44 44 HIS CA C 44 55.392 55.392 56.098 -0.706 19710 229 1 1 . 1 1 44 44 HIS CB C 44 30.049 30.049 31.788 -1.739 19710 230 1 1 . 1 1 44 44 HIS H H 44 7.755 7.755 7.687 0.068 19710 231 1 1 . 1 1 45 45 LEU N N 45 119.789 119.789 119.731 0.058 19710 232 1 1 . 1 1 45 45 LEU HA H 45 4.580 4.580 4.258 0.322 19710 233 1 1 . 1 1 45 45 LEU C C 45 176.926 176.926 175.768 1.158 19710 234 1 1 . 1 1 45 45 LEU CA C 45 53.930 53.930 57.386 -3.456 19710 235 1 1 . 1 1 45 45 LEU CB C 45 42.010 42.010 42.583 -0.573 19710 236 1 1 . 1 1 45 45 LEU H H 45 7.601 7.601 7.521 0.080 19710 237 1 1 . 1 1 46 46 LEU N N 46 121.462 121.462 117.278 4.184 19710 238 1 1 . 1 1 46 46 LEU HA H 46 4.100 4.100 4.530 -0.430 19710 239 1 1 . 1 1 46 46 LEU CA C 46 56.925 56.925 54.106 2.819 19710 240 1 1 . 1 1 46 46 LEU CB C 46 41.703 41.703 44.335 -2.632 19710 241 1 1 . 1 1 46 46 LEU H H 46 7.696 7.696 7.853 -0.157 19710 242 1 1 . 1 1 47 47 HIS HA H 47 4.742 4.742 4.518 0.224 19710 243 1 1 . 1 1 47 47 HIS C C 47 175.940 175.940 174.710 1.230 19710 244 1 1 . 1 1 47 47 HIS CA C 47 56.483 56.483 56.250 0.233 19710 245 1 1 . 1 1 47 47 HIS CB C 47 29.209 29.209 29.764 -0.555 19710 246 1 1 . 1 1 48 48 CYS N N 48 118.214 118.214 120.513 -2.299 19710 247 1 1 . 1 1 48 48 CYS HA H 48 4.902 4.902 4.597 0.305 19710 248 1 1 . 1 1 48 48 CYS C C 48 174.988 174.988 174.993 -0.005 19710 249 1 1 . 1 1 48 48 CYS CA C 48 57.439 57.439 57.773 -0.334 19710 250 1 1 . 1 1 48 48 CYS CB C 48 28.038 28.038 30.357 -2.319 19710 251 1 1 . 1 1 48 48 CYS H H 48 7.823 7.823 7.573 0.250 19710 252 1 1 . 1 1 49 49 GLU N N 49 122.478 122.478 126.647 -4.169 19710 253 1 1 . 1 1 49 49 GLU HA H 49 3.718 3.718 4.029 -0.311 19710 254 1 1 . 1 1 49 49 GLU C C 49 177.607 177.607 177.453 0.154 19710 255 1 1 . 1 1 49 49 GLU CA C 49 60.496 60.496 58.661 1.835 19710 256 1 1 . 1 1 49 49 GLU CB C 49 29.391 29.391 29.461 -0.070 19710 257 1 1 . 1 1 49 49 GLU H H 49 8.524 8.524 9.127 -0.603 19710 258 1 1 . 1 1 50 50 GLU N N 50 118.424 118.424 118.399 0.025 19710 259 1 1 . 1 1 50 50 GLU HA H 50 4.035 4.035 4.023 0.012 19710 260 1 1 . 1 1 50 50 GLU C C 50 178.942 178.942 178.537 0.405 19710 261 1 1 . 1 1 50 50 GLU CA C 50 59.341 59.341 58.865 0.476 19710 262 1 1 . 1 1 50 50 GLU CB C 50 28.492 28.492 28.597 -0.105 19710 263 1 1 . 1 1 50 50 GLU H H 50 9.192 9.192 8.780 0.412 19710 264 1 1 . 1 1 51 51 PHE N N 51 117.631 117.631 118.881 -1.250 19710 265 1 1 . 1 1 51 51 PHE HA H 51 4.345 4.345 4.403 -0.058 19710 266 1 1 . 1 1 51 51 PHE C C 51 179.013 179.013 178.044 0.969 19710 267 1 1 . 1 1 51 51 PHE CA C 51 59.916 59.916 61.812 -1.895 19710 268 1 1 . 1 1 51 51 PHE CB C 51 38.425 38.425 38.542 -0.117 19710 269 1 1 . 1 1 51 51 PHE H H 51 7.350 7.350 7.522 -0.172 19710 270 1 1 . 1 1 52 52 ILE N N 52 123.512 123.512 118.934 4.578 19710 271 1 1 . 1 1 52 52 ILE HA H 52 3.260 3.260 3.906 -0.646 19710 272 1 1 . 1 1 52 52 ILE C C 52 177.036 177.036 177.991 -0.955 19710 273 1 1 . 1 1 52 52 ILE CA C 52 65.356 65.356 64.576 0.780 19710 274 1 1 . 1 1 52 52 ILE CB C 52 38.172 38.172 37.562 0.610 19710 275 1 1 . 1 1 52 52 ILE H H 52 7.625 7.625 7.409 0.216 19710 276 1 1 . 1 1 53 53 ASP N N 53 120.257 120.257 119.688 0.569 19710 277 1 1 . 1 1 53 53 ASP HA H 53 4.302 4.302 4.381 -0.079 19710 278 1 1 . 1 1 53 53 ASP C C 53 179.243 179.243 178.330 0.913 19710 279 1 1 . 1 1 53 53 ASP CA C 53 57.343 57.343 57.678 -0.335 19710 280 1 1 . 1 1 53 53 ASP CB C 53 40.085 40.085 41.027 -0.942 19710 281 1 1 . 1 1 53 53 ASP H H 53 8.144 8.144 7.936 0.208 19710 282 1 1 . 1 1 54 54 GLU N N 54 119.707 119.707 120.107 -0.400 19710 283 1 1 . 1 1 54 54 GLU HA H 54 3.944 3.944 4.020 -0.076 19710 284 1 1 . 1 1 54 54 GLU C C 54 178.652 178.652 178.559 0.093 19710 285 1 1 . 1 1 54 54 GLU CA C 54 59.071 59.071 59.076 -0.005 19710 286 1 1 . 1 1 54 54 GLU CB C 54 29.765 29.765 29.364 0.401 19710 287 1 1 . 1 1 54 54 GLU H H 54 7.875 7.875 7.947 -0.072 19710 288 1 1 . 1 1 55 55 PHE N N 55 120.573 120.573 121.513 -0.940 19710 289 1 1 . 1 1 55 55 PHE HA H 55 4.138 4.138 4.272 -0.134 19710 290 1 1 . 1 1 55 55 PHE C C 55 177.460 177.460 177.119 0.341 19710 291 1 1 . 1 1 55 55 PHE CA C 55 61.425 61.425 60.656 0.770 19710 292 1 1 . 1 1 55 55 PHE CB C 55 39.347 39.347 39.017 0.330 19710 293 1 1 . 1 1 55 55 PHE H H 55 7.784 7.784 8.041 -0.257 19710 294 1 1 . 1 1 56 56 ASN N N 56 117.284 117.284 117.313 -0.029 19710 295 1 1 . 1 1 56 56 ASN HA H 56 4.349 4.349 4.028 0.321 19710 296 1 1 . 1 1 56 56 ASN C C 56 177.227 177.227 177.277 -0.050 19710 297 1 1 . 1 1 56 56 ASN CA C 56 54.592 54.592 55.934 -1.342 19710 298 1 1 . 1 1 56 56 ASN CB C 56 37.947 37.947 38.420 -0.473 19710 299 1 1 . 1 1 56 56 ASN H H 56 8.563 8.563 7.899 0.664 19710 300 1 1 . 1 1 57 57 GLY N N 57 107.640 107.640 107.286 0.354 19710 301 1 1 . 1 1 57 57 GLY C C 57 174.906 174.906 176.048 -1.142 19710 302 1 1 . 1 1 57 57 GLY CA C 57 46.079 46.079 46.961 -0.882 19710 303 1 1 . 1 1 57 57 GLY H H 57 7.890 7.890 7.842 0.048 19710 304 1 1 . 1 1 58 58 LEU N N 58 120.735 120.735 117.499 3.236 19710 305 1 1 . 1 1 58 58 LEU HA H 58 4.110 4.110 4.315 -0.205 19710 306 1 1 . 1 1 58 58 LEU C C 58 177.607 177.607 178.131 -0.524 19710 307 1 1 . 1 1 58 58 LEU CA C 58 55.836 55.836 57.040 -1.204 19710 308 1 1 . 1 1 58 58 LEU CB C 58 42.340 42.340 41.410 0.930 19710 309 1 1 . 1 1 58 58 LEU H H 58 7.528 7.528 7.735 -0.207 19710 310 1 1 . 1 1 59 59 HIS N N 59 118.359 118.359 117.506 0.853 19710 311 1 1 . 1 1 59 59 HIS HA H 59 4.417 4.417 4.569 -0.152 19710 312 1 1 . 1 1 59 59 HIS C C 59 175.499 175.499 175.309 0.190 19710 313 1 1 . 1 1 59 59 HIS CA C 59 56.604 56.604 56.476 0.128 19710 314 1 1 . 1 1 59 59 HIS CB C 59 30.480 30.480 30.675 -0.195 19710 315 1 1 . 1 1 59 59 HIS H H 59 7.875 7.875 7.928 -0.053 19710 316 1 1 . 1 1 60 60 MET N N 60 120.255 120.255 119.436 0.819 19710 317 1 1 . 1 1 60 60 MET HA H 60 4.365 4.365 4.144 0.221 19710 318 1 1 . 1 1 60 60 MET CA C 60 55.643 55.643 55.647 -0.004 19710 319 1 1 . 1 1 60 60 MET CB C 60 32.684 32.684 30.494 2.191 19710 320 1 1 . 1 1 60 60 MET H H 60 7.884 7.884 7.451 0.433 19710 321 1 1 . 1 1 62 62 LYS HA H 62 4.301 4.301 4.260 0.041 19710 322 1 1 . 1 1 62 62 LYS C C 62 176.168 176.168 175.551 0.617 19710 323 1 1 . 1 1 62 62 LYS CA C 62 56.312 56.312 56.142 0.170 19710 324 1 1 . 1 1 62 62 LYS CB C 62 32.975 32.975 31.808 1.167 19710 325 1 1 . 1 1 63 63 ASP N N 63 121.259 121.259 125.496 -4.237 19710 326 1 1 . 1 1 63 63 ASP HA H 63 4.540 4.540 4.798 -0.258 19710 327 1 1 . 1 1 63 63 ASP C C 63 175.024 175.024 174.992 0.032 19710 328 1 1 . 1 1 63 63 ASP CA C 63 54.569 54.569 54.535 0.034 19710 329 1 1 . 1 1 63 63 ASP CB C 63 41.120 41.120 42.370 -1.250 19710 330 1 1 . 1 1 63 63 ASP H H 63 8.263 8.263 8.364 -0.101 19710 331 1 2 . 1 1 2 2 ALA HA H 2 4.257 4.257 4.562 -0.305 19710 332 1 2 . 1 1 2 2 ALA CA C 2 52.527 52.527 52.230 0.297 19710 333 1 2 . 1 1 2 2 ALA CB C 2 19.363 19.363 20.274 -0.911 19710 334 1 2 . 1 1 4 4 GLY C C 4 173.756 173.756 173.905 -0.149 19710 335 1 2 . 1 1 4 4 GLY CA C 4 45.291 45.291 43.864 1.427 19710 336 1 2 . 1 1 5 5 ASP N N 5 120.203 120.203 118.963 1.240 19710 337 1 2 . 1 1 5 5 ASP HA H 5 4.451 4.451 4.429 0.022 19710 338 1 2 . 1 1 5 5 ASP C C 5 175.671 175.671 175.979 -0.308 19710 339 1 2 . 1 1 5 5 ASP CA C 5 54.422 54.422 55.368 -0.946 19710 340 1 2 . 1 1 5 5 ASP CB C 5 41.179 41.179 41.074 0.105 19710 341 1 2 . 1 1 5 5 ASP H H 5 8.028 8.028 8.208 -0.180 19710 342 1 2 . 1 1 6 6 LEU N N 6 121.200 121.200 120.300 0.900 19710 343 1 2 . 1 1 6 6 LEU HA H 6 4.135 4.135 3.722 0.413 19710 344 1 2 . 1 1 6 6 LEU C C 6 176.638 176.638 175.054 1.584 19710 345 1 2 . 1 1 6 6 LEU CA C 6 55.097 55.097 53.267 1.830 19710 346 1 2 . 1 1 6 6 LEU CB C 6 42.364 42.364 41.155 1.209 19710 347 1 2 . 1 1 6 6 LEU H H 6 7.873 7.873 7.279 0.594 19710 348 1 2 . 1 1 7 7 TYR N N 7 121.938 121.938 121.908 0.030 19710 349 1 2 . 1 1 7 7 TYR HA H 7 4.631 4.631 4.101 0.530 19710 350 1 2 . 1 1 7 7 TYR C C 7 175.047 175.047 176.072 -1.025 19710 351 1 2 . 1 1 7 7 TYR CA C 7 57.261 57.261 57.763 -0.502 19710 352 1 2 . 1 1 7 7 TYR CB C 7 38.921 38.921 39.186 -0.265 19710 353 1 2 . 1 1 7 7 TYR H H 7 8.011 8.011 6.836 1.175 19710 354 1 2 . 1 1 8 8 GLU N N 8 122.393 122.393 121.454 0.939 19710 355 1 2 . 1 1 8 8 GLU HA H 8 4.769 4.769 4.115 0.654 19710 356 1 2 . 1 1 8 8 GLU C C 8 175.583 175.583 176.198 -0.615 19710 357 1 2 . 1 1 8 8 GLU CA C 8 54.988 54.988 56.703 -1.715 19710 358 1 2 . 1 1 8 8 GLU CB C 8 32.551 32.551 28.927 3.624 19710 359 1 2 . 1 1 8 8 GLU H H 8 9.047 9.047 8.679 0.368 19710 360 1 2 . 1 1 9 9 VAL N N 9 126.546 126.546 121.705 4.841 19710 361 1 2 . 1 1 9 9 VAL HA H 9 3.092 3.092 4.231 -1.139 19710 362 1 2 . 1 1 9 9 VAL C C 9 175.170 175.170 175.895 -0.725 19710 363 1 2 . 1 1 9 9 VAL CA C 9 64.309 64.309 62.539 1.770 19710 364 1 2 . 1 1 9 9 VAL CB C 9 32.983 32.983 32.398 0.585 19710 365 1 2 . 1 1 9 9 VAL H H 9 8.677 8.677 8.050 0.627 19710 366 1 2 . 1 1 10 10 GLU N N 10 126.674 126.674 130.268 -3.594 19710 367 1 2 . 1 1 10 10 GLU HA H 10 4.234 4.234 4.331 -0.097 19710 368 1 2 . 1 1 10 10 GLU C C 10 175.505 175.505 176.530 -1.025 19710 369 1 2 . 1 1 10 10 GLU CA C 10 57.459 57.459 57.823 -0.364 19710 370 1 2 . 1 1 10 10 GLU CB C 10 31.296 31.296 30.664 0.632 19710 371 1 2 . 1 1 10 10 GLU H H 10 9.120 9.120 8.903 0.217 19710 372 1 2 . 1 1 11 11 ARG N N 11 111.321 111.321 111.433 -0.112 19710 373 1 2 . 1 1 11 11 ARG HA H 11 4.115 4.115 4.739 -0.624 19710 374 1 2 . 1 1 11 11 ARG C C 11 172.330 172.330 173.913 -1.583 19710 375 1 2 . 1 1 11 11 ARG CA C 11 54.723 54.723 55.397 -0.674 19710 376 1 2 . 1 1 11 11 ARG CB C 11 32.309 32.309 31.643 0.666 19710 377 1 2 . 1 1 11 11 ARG H H 11 7.476 7.476 7.795 -0.319 19710 378 1 2 . 1 1 12 12 ILE N N 12 120.610 120.610 120.149 0.461 19710 379 1 2 . 1 1 12 12 ILE HA H 12 4.085 4.085 4.126 -0.041 19710 380 1 2 . 1 1 12 12 ILE C C 12 175.353 175.353 176.429 -1.076 19710 381 1 2 . 1 1 12 12 ILE CA C 12 60.515 60.515 62.133 -1.618 19710 382 1 2 . 1 1 12 12 ILE CB C 12 38.338 38.338 37.868 0.470 19710 383 1 2 . 1 1 12 12 ILE H H 12 8.295 8.295 8.722 -0.427 19710 384 1 2 . 1 1 13 13 VAL N N 13 122.026 122.026 127.763 -5.737 19710 385 1 2 . 1 1 13 13 VAL HA H 13 4.047 4.047 3.915 0.132 19710 386 1 2 . 1 1 13 13 VAL C C 13 175.311 175.311 175.802 -0.491 19710 387 1 2 . 1 1 13 13 VAL CA C 13 62.460 62.460 64.961 -2.501 19710 388 1 2 . 1 1 13 13 VAL CB C 13 33.344 33.344 32.619 0.725 19710 389 1 2 . 1 1 13 13 VAL H H 13 8.939 8.939 8.812 0.127 19710 390 1 2 . 1 1 14 14 ASP N N 14 117.407 117.407 114.100 3.307 19710 391 1 2 . 1 1 14 14 ASP HA H 14 4.776 4.776 4.873 -0.097 19710 392 1 2 . 1 1 14 14 ASP C C 14 173.374 173.374 173.528 -0.154 19710 393 1 2 . 1 1 14 14 ASP CA C 14 53.034 53.034 53.038 -0.004 19710 394 1 2 . 1 1 14 14 ASP CB C 14 43.749 43.749 43.344 0.405 19710 395 1 2 . 1 1 14 14 ASP H H 14 7.236 7.236 7.664 -0.428 19710 396 1 2 . 1 1 15 15 LYS N N 15 118.628 118.628 118.397 0.231 19710 397 1 2 . 1 1 15 15 LYS HA H 15 5.517 5.517 4.272 1.245 19710 398 1 2 . 1 1 15 15 LYS C C 15 173.885 173.885 175.304 -1.419 19710 399 1 2 . 1 1 15 15 LYS CA C 15 55.716 55.716 54.886 0.830 19710 400 1 2 . 1 1 15 15 LYS CB C 15 37.575 37.575 34.330 3.245 19710 401 1 2 . 1 1 15 15 LYS H H 15 9.430 9.430 8.180 1.250 19710 402 1 2 . 1 1 16 16 ARG N N 16 120.175 120.175 115.768 4.407 19710 403 1 2 . 1 1 16 16 ARG HA H 16 4.872 4.872 4.452 0.420 19710 404 1 2 . 1 1 16 16 ARG C C 16 172.365 172.365 173.763 -1.398 19710 405 1 2 . 1 1 16 16 ARG CA C 16 54.680 54.680 55.638 -0.958 19710 406 1 2 . 1 1 16 16 ARG CB C 16 32.460 32.460 32.085 0.375 19710 407 1 2 . 1 1 16 16 ARG H H 16 9.326 9.326 8.593 0.733 19710 408 1 2 . 1 1 17 17 LYS N N 17 122.374 122.374 119.864 2.510 19710 409 1 2 . 1 1 17 17 LYS HA H 17 4.306 4.306 4.941 -0.635 19710 410 1 2 . 1 1 17 17 LYS C C 17 176.978 176.978 176.451 0.527 19710 411 1 2 . 1 1 17 17 LYS CA C 17 54.557 54.557 54.046 0.511 19710 412 1 2 . 1 1 17 17 LYS CB C 17 33.310 33.310 34.242 -0.932 19710 413 1 2 . 1 1 17 17 LYS H H 17 8.480 8.480 8.345 0.135 19710 414 1 2 . 1 1 18 18 ASN N N 18 123.092 123.092 122.035 1.057 19710 415 1 2 . 1 1 18 18 ASN HA H 18 4.482 4.482 4.503 -0.021 19710 416 1 2 . 1 1 18 18 ASN CA C 18 50.611 50.611 54.004 -3.393 19710 417 1 2 . 1 1 18 18 ASN CB C 18 39.055 39.055 40.016 -0.961 19710 418 1 2 . 1 1 18 18 ASN H H 18 8.736 8.736 8.480 0.256 19710 419 1 2 . 1 1 19 19 LYS HA H 19 3.939 3.939 4.114 -0.175 19710 420 1 2 . 1 1 19 19 LYS C C 19 177.548 177.548 177.421 0.127 19710 421 1 2 . 1 1 19 19 LYS CA C 19 58.543 58.543 58.140 0.403 19710 422 1 2 . 1 1 19 19 LYS CB C 19 31.933 31.933 31.889 0.044 19710 423 1 2 . 1 1 20 20 LYS N N 20 117.362 117.362 119.211 -1.849 19710 424 1 2 . 1 1 20 20 LYS HA H 20 4.262 4.262 4.285 -0.023 19710 425 1 2 . 1 1 20 20 LYS C C 20 176.514 176.514 176.344 0.170 19710 426 1 2 . 1 1 20 20 LYS CA C 20 55.489 55.489 55.427 0.062 19710 427 1 2 . 1 1 20 20 LYS CB C 20 32.105 32.105 32.461 -0.356 19710 428 1 2 . 1 1 20 20 LYS H H 20 7.491 7.491 7.946 -0.455 19710 429 1 2 . 1 1 21 21 GLY N N 21 107.275 107.275 109.053 -1.778 19710 430 1 2 . 1 1 21 21 GLY C C 21 173.503 173.503 173.734 -0.231 19710 431 1 2 . 1 1 21 21 GLY CA C 21 45.413 45.413 45.701 -0.288 19710 432 1 2 . 1 1 21 21 GLY H H 21 7.966 7.966 7.718 0.248 19710 433 1 2 . 1 1 22 22 LYS N N 22 119.753 119.753 117.962 1.791 19710 434 1 2 . 1 1 22 22 LYS HA H 22 4.380 4.380 3.893 0.487 19710 435 1 2 . 1 1 22 22 LYS C C 22 175.319 175.319 176.246 -0.927 19710 436 1 2 . 1 1 22 22 LYS CA C 22 53.197 53.197 54.542 -1.345 19710 437 1 2 . 1 1 22 22 LYS CB C 22 33.531 33.531 33.471 0.060 19710 438 1 2 . 1 1 22 22 LYS H H 22 7.457 7.457 7.454 0.003 19710 439 1 2 . 1 1 23 23 TRP N N 23 120.227 120.227 121.507 -1.280 19710 440 1 2 . 1 1 23 23 TRP HA H 23 4.837 4.837 4.716 0.121 19710 441 1 2 . 1 1 23 23 TRP C C 23 176.246 176.246 175.984 0.262 19710 442 1 2 . 1 1 23 23 TRP CA C 23 57.338 57.338 57.221 0.117 19710 443 1 2 . 1 1 23 23 TRP CB C 23 31.142 31.142 29.160 1.982 19710 444 1 2 . 1 1 23 23 TRP H H 23 8.564 8.564 8.801 -0.237 19710 445 1 2 . 1 1 24 24 GLU N N 24 120.044 120.044 121.577 -1.533 19710 446 1 2 . 1 1 24 24 GLU HA H 24 4.921 4.921 5.411 -0.490 19710 447 1 2 . 1 1 24 24 GLU C C 24 174.505 174.505 175.196 -0.691 19710 448 1 2 . 1 1 24 24 GLU CA C 24 54.223 54.223 54.546 -0.323 19710 449 1 2 . 1 1 24 24 GLU CB C 24 33.711 33.711 34.385 -0.674 19710 450 1 2 . 1 1 24 24 GLU H H 24 9.257 9.257 8.388 0.869 19710 451 1 2 . 1 1 25 25 TYR N N 25 118.993 118.993 120.297 -1.304 19710 452 1 2 . 1 1 25 25 TYR HA H 25 5.017 5.017 4.684 0.333 19710 453 1 2 . 1 1 25 25 TYR C C 25 173.068 173.068 174.508 -1.440 19710 454 1 2 . 1 1 25 25 TYR CA C 25 57.173 57.173 57.184 -0.011 19710 455 1 2 . 1 1 25 25 TYR CB C 25 41.873 41.873 42.082 -0.209 19710 456 1 2 . 1 1 25 25 TYR H H 25 9.119 9.119 9.395 -0.276 19710 457 1 2 . 1 1 26 26 LEU N N 26 128.028 128.028 126.248 1.780 19710 458 1 2 . 1 1 26 26 LEU HA H 26 3.632 3.632 4.505 -0.873 19710 459 1 2 . 1 1 26 26 LEU C C 26 173.813 173.813 175.148 -1.335 19710 460 1 2 . 1 1 26 26 LEU CA C 26 53.371 53.371 55.048 -1.677 19710 461 1 2 . 1 1 26 26 LEU CB C 26 39.946 39.946 42.273 -2.327 19710 462 1 2 . 1 1 26 26 LEU H H 26 7.788 7.788 8.332 -0.544 19710 463 1 2 . 1 1 27 27 ILE N N 27 130.050 130.050 126.657 3.393 19710 464 1 2 . 1 1 27 27 ILE HA H 27 3.604 3.604 4.614 -1.010 19710 465 1 2 . 1 1 27 27 ILE C C 27 173.398 173.398 174.883 -1.485 19710 466 1 2 . 1 1 27 27 ILE CA C 27 58.760 58.760 58.633 0.127 19710 467 1 2 . 1 1 27 27 ILE CB C 27 38.186 38.186 39.502 -1.316 19710 468 1 2 . 1 1 27 27 ILE H H 27 8.752 8.752 8.890 -0.138 19710 469 1 2 . 1 1 28 28 ARG N N 28 123.071 123.071 123.744 -0.673 19710 470 1 2 . 1 1 28 28 ARG HA H 28 4.474 4.474 4.548 -0.074 19710 471 1 2 . 1 1 28 28 ARG C C 28 174.476 174.476 174.834 -0.358 19710 472 1 2 . 1 1 28 28 ARG CA C 28 52.104 52.104 54.937 -2.833 19710 473 1 2 . 1 1 28 28 ARG CB C 28 29.007 29.007 32.215 -3.208 19710 474 1 2 . 1 1 28 28 ARG H H 28 7.453 7.453 8.643 -1.190 19710 475 1 2 . 1 1 29 29 TRP N N 29 132.787 132.787 121.684 11.103 19710 476 1 2 . 1 1 29 29 TRP HA H 29 4.731 4.731 5.274 -0.543 19710 477 1 2 . 1 1 29 29 TRP C C 29 176.623 176.623 176.190 0.433 19710 478 1 2 . 1 1 29 29 TRP CA C 29 55.653 55.653 53.721 1.932 19710 479 1 2 . 1 1 29 29 TRP CB C 29 31.065 31.065 31.691 -0.626 19710 480 1 2 . 1 1 29 29 TRP H H 29 9.197 9.197 8.308 0.889 19710 481 1 2 . 1 1 30 30 LYS N N 30 122.843 122.843 121.245 1.598 19710 482 1 2 . 1 1 30 30 LYS HA H 30 4.212 4.212 4.227 -0.015 19710 483 1 2 . 1 1 30 30 LYS C C 30 177.688 177.688 177.717 -0.029 19710 484 1 2 . 1 1 30 30 LYS CA C 30 58.203 58.203 58.025 0.178 19710 485 1 2 . 1 1 30 30 LYS CB C 30 33.152 33.152 32.721 0.431 19710 486 1 2 . 1 1 30 30 LYS H H 30 9.134 9.134 8.792 0.342 19710 487 1 2 . 1 1 31 31 GLY N N 31 113.057 113.057 110.847 2.210 19710 488 1 2 . 1 1 31 31 GLY C C 31 173.562 173.562 174.850 -1.288 19710 489 1 2 . 1 1 31 31 GLY CA C 31 44.973 44.973 45.508 -0.535 19710 490 1 2 . 1 1 31 31 GLY H H 31 8.646 8.646 8.838 -0.192 19710 491 1 2 . 1 1 32 32 TYR N N 32 119.993 119.993 121.527 -1.534 19710 492 1 2 . 1 1 32 32 TYR HA H 32 4.620 4.620 4.772 -0.152 19710 493 1 2 . 1 1 32 32 TYR C C 32 175.254 175.254 176.163 -0.909 19710 494 1 2 . 1 1 32 32 TYR CA C 32 57.742 57.742 58.479 -0.737 19710 495 1 2 . 1 1 32 32 TYR CB C 32 40.377 40.377 40.339 0.038 19710 496 1 2 . 1 1 32 32 TYR H H 32 8.119 8.119 7.739 0.380 19710 497 1 2 . 1 1 33 33 GLY N N 33 106.930 106.930 109.082 -2.152 19710 498 1 2 . 1 1 33 33 GLY CA C 33 44.052 44.052 46.452 -2.400 19710 499 1 2 . 1 1 33 33 GLY H H 33 8.510 8.510 8.200 0.310 19710 500 1 2 . 1 1 34 34 SER HA H 34 4.437 4.437 4.194 0.243 19710 501 1 2 . 1 1 34 34 SER C C 34 176.594 176.594 176.501 0.093 19710 502 1 2 . 1 1 34 34 SER CA C 34 60.033 60.033 61.453 -1.420 19710 503 1 2 . 1 1 34 34 SER CB C 34 63.310 63.310 63.261 0.049 19710 504 1 2 . 1 1 35 35 THR N N 35 113.722 113.722 114.655 -0.933 19710 505 1 2 . 1 1 35 35 THR HA H 35 4.117 4.117 4.402 -0.285 19710 506 1 2 . 1 1 35 35 THR C C 35 175.474 175.474 175.264 0.210 19710 507 1 2 . 1 1 35 35 THR CA C 35 63.751 63.751 63.164 0.586 19710 508 1 2 . 1 1 35 35 THR CB C 35 68.542 68.542 68.505 0.037 19710 509 1 2 . 1 1 35 35 THR H H 35 7.788 7.788 7.723 0.066 19710 510 1 2 . 1 1 36 36 GLU N N 36 120.073 120.073 121.354 -1.281 19710 511 1 2 . 1 1 36 36 GLU HA H 36 4.386 4.386 4.006 0.380 19710 512 1 2 . 1 1 36 36 GLU C C 36 175.013 175.013 176.066 -1.053 19710 513 1 2 . 1 1 36 36 GLU CA C 36 55.865 55.865 56.054 -0.189 19710 514 1 2 . 1 1 36 36 GLU CB C 36 29.794 29.794 29.740 0.054 19710 515 1 2 . 1 1 36 36 GLU H H 36 7.825 7.825 7.478 0.347 19710 516 1 2 . 1 1 37 37 ASP N N 37 121.647 121.647 119.445 2.202 19710 517 1 2 . 1 1 37 37 ASP HA H 37 5.075 5.075 4.119 0.956 19710 518 1 2 . 1 1 37 37 ASP C C 37 178.071 178.071 175.818 2.253 19710 519 1 2 . 1 1 37 37 ASP CA C 37 55.606 55.606 54.791 0.815 19710 520 1 2 . 1 1 37 37 ASP CB C 37 39.712 39.712 39.406 0.306 19710 521 1 2 . 1 1 37 37 ASP H H 37 7.386 7.386 7.614 -0.228 19710 522 1 2 . 1 1 38 38 THR N N 38 111.963 111.963 117.077 -5.114 19710 523 1 2 . 1 1 38 38 THR HA H 38 4.675 4.675 3.963 0.712 19710 524 1 2 . 1 1 38 38 THR C C 38 173.399 173.399 173.384 0.015 19710 525 1 2 . 1 1 38 38 THR CA C 38 59.483 59.483 60.033 -0.550 19710 526 1 2 . 1 1 38 38 THR CB C 38 71.810 71.810 71.156 0.654 19710 527 1 2 . 1 1 38 38 THR H H 38 7.821 7.821 7.959 -0.138 19710 528 1 2 . 1 1 39 39 TRP N N 39 123.340 123.340 128.193 -4.853 19710 529 1 2 . 1 1 39 39 TRP HA H 39 4.835 4.835 4.877 -0.042 19710 530 1 2 . 1 1 39 39 TRP C C 39 177.090 177.090 175.863 1.227 19710 531 1 2 . 1 1 39 39 TRP CA C 39 56.443 56.443 56.021 0.422 19710 532 1 2 . 1 1 39 39 TRP CB C 39 29.574 29.574 28.372 1.202 19710 533 1 2 . 1 1 39 39 TRP H H 39 8.546 8.546 8.501 0.045 19710 534 1 2 . 1 1 40 40 GLU N N 40 124.822 124.822 124.637 0.185 19710 535 1 2 . 1 1 40 40 GLU HA H 40 5.196 5.196 5.050 0.146 19710 536 1 2 . 1 1 40 40 GLU CA C 40 51.859 51.859 52.603 -0.744 19710 537 1 2 . 1 1 40 40 GLU CB C 40 31.934 31.934 31.507 0.427 19710 538 1 2 . 1 1 40 40 GLU H H 40 9.710 9.710 8.935 0.775 19710 539 1 2 . 1 1 41 41 PRO HA H 41 4.783 4.783 5.028 -0.245 19710 540 1 2 . 1 1 41 41 PRO C C 41 178.201 178.201 178.053 0.148 19710 541 1 2 . 1 1 41 41 PRO CA C 41 62.030 62.030 62.880 -0.850 19710 542 1 2 . 1 1 41 41 PRO CB C 41 32.833 32.833 32.818 0.015 19710 543 1 2 . 1 1 42 42 GLU N N 42 118.959 118.959 126.192 -7.233 19710 544 1 2 . 1 1 42 42 GLU HA H 42 3.984 3.984 4.033 -0.049 19710 545 1 2 . 1 1 42 42 GLU C C 42 177.841 177.841 178.270 -0.429 19710 546 1 2 . 1 1 42 42 GLU CA C 42 60.156 60.156 59.759 0.397 19710 547 1 2 . 1 1 42 42 GLU CB C 42 30.554 30.554 29.696 0.858 19710 548 1 2 . 1 1 42 42 GLU H H 42 8.531 8.531 8.643 -0.112 19710 549 1 2 . 1 1 43 43 HIS N N 43 113.679 113.679 115.211 -1.532 19710 550 1 2 . 1 1 43 43 HIS HA H 43 4.592 4.592 4.375 0.217 19710 551 1 2 . 1 1 43 43 HIS C C 43 176.547 176.547 175.546 1.001 19710 552 1 2 . 1 1 43 43 HIS CA C 43 58.187 58.187 57.662 0.525 19710 553 1 2 . 1 1 43 43 HIS CB C 43 29.362 29.362 29.152 0.210 19710 554 1 2 . 1 1 43 43 HIS H H 43 7.998 7.998 8.589 -0.591 19710 555 1 2 . 1 1 44 44 HIS N N 44 119.428 119.428 114.712 4.716 19710 556 1 2 . 1 1 44 44 HIS HA H 44 4.886 4.886 4.820 0.066 19710 557 1 2 . 1 1 44 44 HIS C C 44 175.566 175.566 175.421 0.145 19710 558 1 2 . 1 1 44 44 HIS CA C 44 55.392 55.392 56.068 -0.676 19710 559 1 2 . 1 1 44 44 HIS CB C 44 30.049 30.049 32.933 -2.884 19710 560 1 2 . 1 1 44 44 HIS H H 44 7.755 7.755 7.867 -0.112 19710 561 1 2 . 1 1 45 45 LEU N N 45 119.789 119.789 118.960 0.829 19710 562 1 2 . 1 1 45 45 LEU HA H 45 4.580 4.580 4.234 0.346 19710 563 1 2 . 1 1 45 45 LEU C C 45 176.926 176.926 176.120 0.806 19710 564 1 2 . 1 1 45 45 LEU CA C 45 53.930 53.930 57.406 -3.476 19710 565 1 2 . 1 1 45 45 LEU CB C 45 42.010 42.010 42.645 -0.636 19710 566 1 2 . 1 1 45 45 LEU H H 45 7.601 7.601 7.456 0.145 19710 567 1 2 . 1 1 46 46 LEU N N 46 121.462 121.462 116.894 4.568 19710 568 1 2 . 1 1 46 46 LEU HA H 46 4.100 4.100 4.457 -0.357 19710 569 1 2 . 1 1 46 46 LEU CA C 46 56.925 56.925 53.901 3.024 19710 570 1 2 . 1 1 46 46 LEU CB C 46 41.703 41.703 43.719 -2.016 19710 571 1 2 . 1 1 46 46 LEU H H 46 7.696 7.696 7.610 0.086 19710 572 1 2 . 1 1 47 47 HIS HA H 47 4.742 4.742 4.396 0.346 19710 573 1 2 . 1 1 47 47 HIS C C 47 175.940 175.940 174.157 1.783 19710 574 1 2 . 1 1 47 47 HIS CA C 47 56.483 56.483 57.759 -1.276 19710 575 1 2 . 1 1 47 47 HIS CB C 47 29.209 29.209 30.590 -1.381 19710 576 1 2 . 1 1 48 48 CYS N N 48 118.214 118.214 120.269 -2.055 19710 577 1 2 . 1 1 48 48 CYS HA H 48 4.902 4.902 4.536 0.366 19710 578 1 2 . 1 1 48 48 CYS C C 48 174.988 174.988 175.154 -0.166 19710 579 1 2 . 1 1 48 48 CYS CA C 48 57.439 57.439 57.853 -0.414 19710 580 1 2 . 1 1 48 48 CYS CB C 48 28.038 28.038 29.256 -1.218 19710 581 1 2 . 1 1 48 48 CYS H H 48 7.823 7.823 7.975 -0.152 19710 582 1 2 . 1 1 49 49 GLU N N 49 122.478 122.478 126.144 -3.666 19710 583 1 2 . 1 1 49 49 GLU HA H 49 3.718 3.718 4.008 -0.290 19710 584 1 2 . 1 1 49 49 GLU C C 49 177.607 177.607 177.451 0.156 19710 585 1 2 . 1 1 49 49 GLU CA C 49 60.496 60.496 58.406 2.090 19710 586 1 2 . 1 1 49 49 GLU CB C 49 29.391 29.391 29.433 -0.042 19710 587 1 2 . 1 1 49 49 GLU H H 49 8.524 8.524 9.056 -0.532 19710 588 1 2 . 1 1 50 50 GLU N N 50 118.424 118.424 118.415 0.009 19710 589 1 2 . 1 1 50 50 GLU HA H 50 4.035 4.035 3.981 0.054 19710 590 1 2 . 1 1 50 50 GLU C C 50 178.942 178.942 178.533 0.409 19710 591 1 2 . 1 1 50 50 GLU CA C 50 59.341 59.341 59.028 0.313 19710 592 1 2 . 1 1 50 50 GLU CB C 50 28.492 28.492 29.035 -0.543 19710 593 1 2 . 1 1 50 50 GLU H H 50 9.192 9.192 8.816 0.376 19710 594 1 2 . 1 1 51 51 PHE N N 51 117.631 117.631 117.434 0.197 19710 595 1 2 . 1 1 51 51 PHE HA H 51 4.345 4.345 4.513 -0.168 19710 596 1 2 . 1 1 51 51 PHE C C 51 179.013 179.013 178.187 0.826 19710 597 1 2 . 1 1 51 51 PHE CA C 51 59.916 59.916 61.344 -1.428 19710 598 1 2 . 1 1 51 51 PHE CB C 51 38.425 38.425 38.566 -0.141 19710 599 1 2 . 1 1 51 51 PHE H H 51 7.350 7.350 7.611 -0.261 19710 600 1 2 . 1 1 52 52 ILE N N 52 123.512 123.512 119.217 4.295 19710 601 1 2 . 1 1 52 52 ILE HA H 52 3.260 3.260 3.694 -0.434 19710 602 1 2 . 1 1 52 52 ILE C C 52 177.036 177.036 177.802 -0.766 19710 603 1 2 . 1 1 52 52 ILE CA C 52 65.356 65.356 64.460 0.895 19710 604 1 2 . 1 1 52 52 ILE CB C 52 38.172 38.172 37.367 0.805 19710 605 1 2 . 1 1 52 52 ILE H H 52 7.625 7.625 7.486 0.139 19710 606 1 2 . 1 1 53 53 ASP N N 53 120.257 120.257 119.739 0.518 19710 607 1 2 . 1 1 53 53 ASP HA H 53 4.302 4.302 4.368 -0.066 19710 608 1 2 . 1 1 53 53 ASP C C 53 179.243 179.243 178.406 0.837 19710 609 1 2 . 1 1 53 53 ASP CA C 53 57.343 57.343 57.905 -0.562 19710 610 1 2 . 1 1 53 53 ASP CB C 53 40.085 40.085 41.070 -0.985 19710 611 1 2 . 1 1 53 53 ASP H H 53 8.144 8.144 7.884 0.260 19710 612 1 2 . 1 1 54 54 GLU N N 54 119.707 119.707 118.986 0.721 19710 613 1 2 . 1 1 54 54 GLU HA H 54 3.944 3.944 4.041 -0.097 19710 614 1 2 . 1 1 54 54 GLU C C 54 178.652 178.652 178.518 0.134 19710 615 1 2 . 1 1 54 54 GLU CA C 54 59.071 59.071 58.985 0.086 19710 616 1 2 . 1 1 54 54 GLU CB C 54 29.765 29.765 29.171 0.594 19710 617 1 2 . 1 1 54 54 GLU H H 54 7.875 7.875 8.008 -0.133 19710 618 1 2 . 1 1 55 55 PHE N N 55 120.573 120.573 122.302 -1.729 19710 619 1 2 . 1 1 55 55 PHE HA H 55 4.138 4.138 4.242 -0.104 19710 620 1 2 . 1 1 55 55 PHE C C 55 177.460 177.460 176.937 0.523 19710 621 1 2 . 1 1 55 55 PHE CA C 55 61.425 61.425 60.495 0.930 19710 622 1 2 . 1 1 55 55 PHE CB C 55 39.347 39.347 39.318 0.029 19710 623 1 2 . 1 1 55 55 PHE H H 55 7.784 7.784 8.170 -0.386 19710 624 1 2 . 1 1 56 56 ASN N N 56 117.284 117.284 117.748 -0.464 19710 625 1 2 . 1 1 56 56 ASN HA H 56 4.349 4.349 4.065 0.284 19710 626 1 2 . 1 1 56 56 ASN C C 56 177.227 177.227 177.497 -0.270 19710 627 1 2 . 1 1 56 56 ASN CA C 56 54.592 54.592 56.386 -1.794 19710 628 1 2 . 1 1 56 56 ASN CB C 56 37.947 37.947 38.510 -0.563 19710 629 1 2 . 1 1 56 56 ASN H H 56 8.563 8.563 7.965 0.598 19710 630 1 2 . 1 1 57 57 GLY N N 57 107.640 107.640 107.140 0.500 19710 631 1 2 . 1 1 57 57 GLY C C 57 174.906 174.906 175.273 -0.367 19710 632 1 2 . 1 1 57 57 GLY CA C 57 46.079 46.079 46.579 -0.500 19710 633 1 2 . 1 1 57 57 GLY H H 57 7.890 7.890 7.646 0.244 19710 634 1 2 . 1 1 58 58 LEU N N 58 120.735 120.735 118.293 2.442 19710 635 1 2 . 1 1 58 58 LEU HA H 58 4.110 4.110 4.463 -0.353 19710 636 1 2 . 1 1 58 58 LEU C C 58 177.607 177.607 178.129 -0.522 19710 637 1 2 . 1 1 58 58 LEU CA C 58 55.836 55.836 56.992 -1.156 19710 638 1 2 . 1 1 58 58 LEU CB C 58 42.340 42.340 41.591 0.749 19710 639 1 2 . 1 1 58 58 LEU H H 58 7.528 7.528 7.548 -0.020 19710 640 1 2 . 1 1 59 59 HIS N N 59 118.359 118.359 118.794 -0.435 19710 641 1 2 . 1 1 59 59 HIS HA H 59 4.417 4.417 4.414 0.003 19710 642 1 2 . 1 1 59 59 HIS C C 59 175.499 175.499 175.204 0.295 19710 643 1 2 . 1 1 59 59 HIS CA C 59 56.604 56.604 58.296 -1.692 19710 644 1 2 . 1 1 59 59 HIS CB C 59 30.480 30.480 31.119 -0.639 19710 645 1 2 . 1 1 59 59 HIS H H 59 7.875 7.875 8.022 -0.147 19710 646 1 2 . 1 1 60 60 MET N N 60 120.255 120.255 116.499 3.756 19710 647 1 2 . 1 1 60 60 MET HA H 60 4.365 4.365 4.547 -0.182 19710 648 1 2 . 1 1 60 60 MET CA C 60 55.643 55.643 55.452 0.191 19710 649 1 2 . 1 1 60 60 MET CB C 60 32.684 32.684 34.962 -2.278 19710 650 1 2 . 1 1 60 60 MET H H 60 7.884 7.884 7.588 0.296 19710 651 1 2 . 1 1 62 62 LYS HA H 62 4.301 4.301 4.310 -0.009 19710 652 1 2 . 1 1 62 62 LYS C C 62 176.168 176.168 176.321 -0.153 19710 653 1 2 . 1 1 62 62 LYS CA C 62 56.312 56.312 57.250 -0.938 19710 654 1 2 . 1 1 62 62 LYS CB C 62 32.975 32.975 33.063 -0.088 19710 655 1 2 . 1 1 63 63 ASP N N 63 121.259 121.259 121.826 -0.567 19710 656 1 2 . 1 1 63 63 ASP HA H 63 4.540 4.540 4.547 -0.007 19710 657 1 2 . 1 1 63 63 ASP C C 63 175.024 175.024 175.613 -0.589 19710 658 1 2 . 1 1 63 63 ASP CA C 63 54.569 54.569 55.036 -0.467 19710 659 1 2 . 1 1 63 63 ASP CB C 63 41.120 41.120 41.102 0.018 19710 660 1 2 . 1 1 63 63 ASP H H 63 8.263 8.263 8.139 0.124 19710 661 1 3 . 1 1 2 2 ALA HA H 2 4.257 4.257 3.803 0.454 19710 662 1 3 . 1 1 2 2 ALA CA C 2 52.527 52.527 52.738 -0.211 19710 663 1 3 . 1 1 2 2 ALA CB C 2 19.363 19.363 18.120 1.243 19710 664 1 3 . 1 1 4 4 GLY C C 4 173.756 173.756 174.149 -0.393 19710 665 1 3 . 1 1 4 4 GLY CA C 4 45.291 45.291 45.940 -0.648 19710 666 1 3 . 1 1 5 5 ASP N N 5 120.203 120.203 124.259 -4.056 19710 667 1 3 . 1 1 5 5 ASP HA H 5 4.451 4.451 4.374 0.077 19710 668 1 3 . 1 1 5 5 ASP C C 5 175.671 175.671 176.620 -0.949 19710 669 1 3 . 1 1 5 5 ASP CA C 5 54.422 54.422 55.226 -0.804 19710 670 1 3 . 1 1 5 5 ASP CB C 5 41.179 41.179 41.032 0.147 19710 671 1 3 . 1 1 5 5 ASP H H 5 8.028 8.028 8.473 -0.445 19710 672 1 3 . 1 1 6 6 LEU N N 6 121.200 121.200 121.763 -0.563 19710 673 1 3 . 1 1 6 6 LEU HA H 6 4.135 4.135 4.485 -0.350 19710 674 1 3 . 1 1 6 6 LEU C C 6 176.638 176.638 176.271 0.367 19710 675 1 3 . 1 1 6 6 LEU CA C 6 55.097 55.097 53.312 1.784 19710 676 1 3 . 1 1 6 6 LEU CB C 6 42.364 42.364 40.288 2.075 19710 677 1 3 . 1 1 6 6 LEU H H 6 7.873 7.873 7.181 0.692 19710 678 1 3 . 1 1 7 7 TYR N N 7 121.938 121.938 121.414 0.524 19710 679 1 3 . 1 1 7 7 TYR HA H 7 4.631 4.631 3.856 0.775 19710 680 1 3 . 1 1 7 7 TYR C C 7 175.047 175.047 176.227 -1.180 19710 681 1 3 . 1 1 7 7 TYR CA C 7 57.261 57.261 61.537 -4.276 19710 682 1 3 . 1 1 7 7 TYR CB C 7 38.921 38.921 38.416 0.505 19710 683 1 3 . 1 1 7 7 TYR H H 7 8.011 8.011 7.371 0.640 19710 684 1 3 . 1 1 8 8 GLU N N 8 122.393 122.393 115.882 6.511 19710 685 1 3 . 1 1 8 8 GLU HA H 8 4.769 4.769 4.454 0.315 19710 686 1 3 . 1 1 8 8 GLU C C 8 175.583 175.583 174.521 1.062 19710 687 1 3 . 1 1 8 8 GLU CA C 8 54.988 54.988 55.065 -0.077 19710 688 1 3 . 1 1 8 8 GLU CB C 8 32.551 32.551 31.821 0.730 19710 689 1 3 . 1 1 8 8 GLU H H 8 9.047 9.047 7.886 1.161 19710 690 1 3 . 1 1 9 9 VAL N N 9 126.546 126.546 124.474 2.072 19710 691 1 3 . 1 1 9 9 VAL HA H 9 3.092 3.092 4.507 -1.415 19710 692 1 3 . 1 1 9 9 VAL C C 9 175.170 175.170 175.429 -0.259 19710 693 1 3 . 1 1 9 9 VAL CA C 9 64.309 64.309 62.700 1.609 19710 694 1 3 . 1 1 9 9 VAL CB C 9 32.983 32.983 31.747 1.236 19710 695 1 3 . 1 1 9 9 VAL H H 9 8.677 8.677 8.459 0.218 19710 696 1 3 . 1 1 10 10 GLU N N 10 126.674 126.674 129.499 -2.825 19710 697 1 3 . 1 1 10 10 GLU HA H 10 4.234 4.234 4.297 -0.063 19710 698 1 3 . 1 1 10 10 GLU C C 10 175.505 175.505 176.848 -1.343 19710 699 1 3 . 1 1 10 10 GLU CA C 10 57.459 57.459 58.470 -1.011 19710 700 1 3 . 1 1 10 10 GLU CB C 10 31.296 31.296 30.904 0.392 19710 701 1 3 . 1 1 10 10 GLU H H 10 9.120 9.120 8.994 0.126 19710 702 1 3 . 1 1 11 11 ARG N N 11 111.321 111.321 111.824 -0.503 19710 703 1 3 . 1 1 11 11 ARG HA H 11 4.115 4.115 4.724 -0.609 19710 704 1 3 . 1 1 11 11 ARG C C 11 172.330 172.330 173.903 -1.573 19710 705 1 3 . 1 1 11 11 ARG CA C 11 54.723 54.723 55.172 -0.449 19710 706 1 3 . 1 1 11 11 ARG CB C 11 32.309 32.309 32.213 0.096 19710 707 1 3 . 1 1 11 11 ARG H H 11 7.476 7.476 7.759 -0.283 19710 708 1 3 . 1 1 12 12 ILE N N 12 120.610 120.610 120.243 0.367 19710 709 1 3 . 1 1 12 12 ILE HA H 12 4.085 4.085 4.137 -0.052 19710 710 1 3 . 1 1 12 12 ILE C C 12 175.353 175.353 176.453 -1.100 19710 711 1 3 . 1 1 12 12 ILE CA C 12 60.515 60.515 61.688 -1.173 19710 712 1 3 . 1 1 12 12 ILE CB C 12 38.338 38.338 38.037 0.301 19710 713 1 3 . 1 1 12 12 ILE H H 12 8.295 8.295 8.787 -0.492 19710 714 1 3 . 1 1 13 13 VAL N N 13 122.026 122.026 127.264 -5.238 19710 715 1 3 . 1 1 13 13 VAL HA H 13 4.047 4.047 3.873 0.174 19710 716 1 3 . 1 1 13 13 VAL C C 13 175.311 175.311 175.935 -0.624 19710 717 1 3 . 1 1 13 13 VAL CA C 13 62.460 62.460 65.510 -3.050 19710 718 1 3 . 1 1 13 13 VAL CB C 13 33.344 33.344 32.656 0.688 19710 719 1 3 . 1 1 13 13 VAL H H 13 8.939 8.939 8.809 0.130 19710 720 1 3 . 1 1 14 14 ASP N N 14 117.407 117.407 113.614 3.793 19710 721 1 3 . 1 1 14 14 ASP HA H 14 4.776 4.776 4.665 0.111 19710 722 1 3 . 1 1 14 14 ASP C C 14 173.374 173.374 173.603 -0.229 19710 723 1 3 . 1 1 14 14 ASP CA C 14 53.034 53.034 52.373 0.661 19710 724 1 3 . 1 1 14 14 ASP CB C 14 43.749 43.749 42.998 0.751 19710 725 1 3 . 1 1 14 14 ASP H H 14 7.236 7.236 7.873 -0.637 19710 726 1 3 . 1 1 15 15 LYS N N 15 118.628 118.628 119.094 -0.466 19710 727 1 3 . 1 1 15 15 LYS HA H 15 5.517 5.517 4.278 1.239 19710 728 1 3 . 1 1 15 15 LYS C C 15 173.885 173.885 174.149 -0.264 19710 729 1 3 . 1 1 15 15 LYS CA C 15 55.716 55.716 54.678 1.038 19710 730 1 3 . 1 1 15 15 LYS CB C 15 37.575 37.575 34.783 2.792 19710 731 1 3 . 1 1 15 15 LYS H H 15 9.430 9.430 8.176 1.254 19710 732 1 3 . 1 1 16 16 ARG N N 16 120.175 120.175 117.541 2.634 19710 733 1 3 . 1 1 16 16 ARG HA H 16 4.872 4.872 4.514 0.358 19710 734 1 3 . 1 1 16 16 ARG C C 16 172.365 172.365 173.346 -0.981 19710 735 1 3 . 1 1 16 16 ARG CA C 16 54.680 54.680 54.531 0.149 19710 736 1 3 . 1 1 16 16 ARG CB C 16 32.460 32.460 32.130 0.330 19710 737 1 3 . 1 1 16 16 ARG H H 16 9.326 9.326 8.492 0.834 19710 738 1 3 . 1 1 17 17 LYS N N 17 122.374 122.374 120.219 2.155 19710 739 1 3 . 1 1 17 17 LYS HA H 17 4.306 4.306 4.865 -0.559 19710 740 1 3 . 1 1 17 17 LYS C C 17 176.978 176.978 176.634 0.344 19710 741 1 3 . 1 1 17 17 LYS CA C 17 54.557 54.557 54.692 -0.135 19710 742 1 3 . 1 1 17 17 LYS CB C 17 33.310 33.310 33.421 -0.111 19710 743 1 3 . 1 1 17 17 LYS H H 17 8.480 8.480 8.347 0.133 19710 744 1 3 . 1 1 18 18 ASN N N 18 123.092 123.092 122.283 0.809 19710 745 1 3 . 1 1 18 18 ASN HA H 18 4.482 4.482 4.539 -0.057 19710 746 1 3 . 1 1 18 18 ASN CA C 18 50.611 50.611 53.512 -2.901 19710 747 1 3 . 1 1 18 18 ASN CB C 18 39.055 39.055 39.882 -0.827 19710 748 1 3 . 1 1 18 18 ASN H H 18 8.736 8.736 8.323 0.413 19710 749 1 3 . 1 1 19 19 LYS HA H 19 3.939 3.939 4.085 -0.146 19710 750 1 3 . 1 1 19 19 LYS C C 19 177.548 177.548 177.287 0.261 19710 751 1 3 . 1 1 19 19 LYS CA C 19 58.543 58.543 58.289 0.254 19710 752 1 3 . 1 1 19 19 LYS CB C 19 31.933 31.933 31.876 0.057 19710 753 1 3 . 1 1 20 20 LYS N N 20 117.362 117.362 117.765 -0.403 19710 754 1 3 . 1 1 20 20 LYS HA H 20 4.262 4.262 4.253 0.009 19710 755 1 3 . 1 1 20 20 LYS C C 20 176.514 176.514 176.771 -0.257 19710 756 1 3 . 1 1 20 20 LYS CA C 20 55.489 55.489 55.495 -0.006 19710 757 1 3 . 1 1 20 20 LYS CB C 20 32.105 32.105 31.980 0.125 19710 758 1 3 . 1 1 20 20 LYS H H 20 7.491 7.491 7.783 -0.292 19710 759 1 3 . 1 1 21 21 GLY N N 21 107.275 107.275 108.362 -1.087 19710 760 1 3 . 1 1 21 21 GLY C C 21 173.503 173.503 173.807 -0.304 19710 761 1 3 . 1 1 21 21 GLY CA C 21 45.413 45.413 45.598 -0.185 19710 762 1 3 . 1 1 21 21 GLY H H 21 7.966 7.966 7.681 0.285 19710 763 1 3 . 1 1 22 22 LYS N N 22 119.753 119.753 118.423 1.330 19710 764 1 3 . 1 1 22 22 LYS HA H 22 4.380 4.380 3.986 0.394 19710 765 1 3 . 1 1 22 22 LYS C C 22 175.319 175.319 175.757 -0.438 19710 766 1 3 . 1 1 22 22 LYS CA C 22 53.197 53.197 53.940 -0.743 19710 767 1 3 . 1 1 22 22 LYS CB C 22 33.531 33.531 33.758 -0.227 19710 768 1 3 . 1 1 22 22 LYS H H 22 7.457 7.457 7.579 -0.122 19710 769 1 3 . 1 1 23 23 TRP N N 23 120.227 120.227 120.922 -0.695 19710 770 1 3 . 1 1 23 23 TRP HA H 23 4.837 4.837 4.811 0.026 19710 771 1 3 . 1 1 23 23 TRP C C 23 176.246 176.246 176.113 0.133 19710 772 1 3 . 1 1 23 23 TRP CA C 23 57.338 57.338 56.455 0.883 19710 773 1 3 . 1 1 23 23 TRP CB C 23 31.142 31.142 29.729 1.413 19710 774 1 3 . 1 1 23 23 TRP H H 23 8.564 8.564 8.880 -0.316 19710 775 1 3 . 1 1 24 24 GLU N N 24 120.044 120.044 121.912 -1.868 19710 776 1 3 . 1 1 24 24 GLU HA H 24 4.921 4.921 5.254 -0.333 19710 777 1 3 . 1 1 24 24 GLU C C 24 174.505 174.505 175.359 -0.854 19710 778 1 3 . 1 1 24 24 GLU CA C 24 54.223 54.223 54.539 -0.316 19710 779 1 3 . 1 1 24 24 GLU CB C 24 33.711 33.711 33.989 -0.278 19710 780 1 3 . 1 1 24 24 GLU H H 24 9.257 9.257 8.595 0.662 19710 781 1 3 . 1 1 25 25 TYR N N 25 118.993 118.993 119.209 -0.216 19710 782 1 3 . 1 1 25 25 TYR HA H 25 5.017 5.017 4.584 0.433 19710 783 1 3 . 1 1 25 25 TYR C C 25 173.068 173.068 174.117 -1.049 19710 784 1 3 . 1 1 25 25 TYR CA C 25 57.173 57.173 57.200 -0.027 19710 785 1 3 . 1 1 25 25 TYR CB C 25 41.873 41.873 41.872 0.001 19710 786 1 3 . 1 1 25 25 TYR H H 25 9.119 9.119 8.854 0.265 19710 787 1 3 . 1 1 26 26 LEU N N 26 128.028 128.028 125.941 2.087 19710 788 1 3 . 1 1 26 26 LEU HA H 26 3.632 3.632 4.854 -1.222 19710 789 1 3 . 1 1 26 26 LEU C C 26 173.813 173.813 175.564 -1.751 19710 790 1 3 . 1 1 26 26 LEU CA C 26 53.371 53.371 54.674 -1.303 19710 791 1 3 . 1 1 26 26 LEU CB C 26 39.946 39.946 42.084 -2.138 19710 792 1 3 . 1 1 26 26 LEU H H 26 7.788 7.788 8.065 -0.277 19710 793 1 3 . 1 1 27 27 ILE N N 27 130.050 130.050 126.924 3.126 19710 794 1 3 . 1 1 27 27 ILE HA H 27 3.604 3.604 4.478 -0.874 19710 795 1 3 . 1 1 27 27 ILE C C 27 173.398 173.398 174.605 -1.207 19710 796 1 3 . 1 1 27 27 ILE CA C 27 58.760 58.760 58.603 0.156 19710 797 1 3 . 1 1 27 27 ILE CB C 27 38.186 38.186 39.771 -1.585 19710 798 1 3 . 1 1 27 27 ILE H H 27 8.752 8.752 9.136 -0.384 19710 799 1 3 . 1 1 28 28 ARG N N 28 123.071 123.071 120.695 2.376 19710 800 1 3 . 1 1 28 28 ARG HA H 28 4.474 4.474 4.657 -0.183 19710 801 1 3 . 1 1 28 28 ARG C C 28 174.476 174.476 174.867 -0.391 19710 802 1 3 . 1 1 28 28 ARG CA C 28 52.104 52.104 54.658 -2.554 19710 803 1 3 . 1 1 28 28 ARG CB C 28 29.007 29.007 32.554 -3.547 19710 804 1 3 . 1 1 28 28 ARG H H 28 7.453 7.453 8.694 -1.241 19710 805 1 3 . 1 1 29 29 TRP N N 29 132.787 132.787 123.260 9.527 19710 806 1 3 . 1 1 29 29 TRP HA H 29 4.731 4.731 5.263 -0.532 19710 807 1 3 . 1 1 29 29 TRP C C 29 176.623 176.623 176.441 0.182 19710 808 1 3 . 1 1 29 29 TRP CA C 29 55.653 55.653 54.008 1.645 19710 809 1 3 . 1 1 29 29 TRP CB C 29 31.065 31.065 30.634 0.432 19710 810 1 3 . 1 1 29 29 TRP H H 29 9.197 9.197 8.661 0.536 19710 811 1 3 . 1 1 30 30 LYS N N 30 122.843 122.843 121.741 1.102 19710 812 1 3 . 1 1 30 30 LYS HA H 30 4.212 4.212 4.477 -0.265 19710 813 1 3 . 1 1 30 30 LYS C C 30 177.688 177.688 177.759 -0.071 19710 814 1 3 . 1 1 30 30 LYS CA C 30 58.203 58.203 57.938 0.265 19710 815 1 3 . 1 1 30 30 LYS CB C 30 33.152 33.152 33.065 0.087 19710 816 1 3 . 1 1 30 30 LYS H H 30 9.134 9.134 8.399 0.735 19710 817 1 3 . 1 1 31 31 GLY N N 31 113.057 113.057 113.719 -0.662 19710 818 1 3 . 1 1 31 31 GLY C C 31 173.562 173.562 174.556 -0.994 19710 819 1 3 . 1 1 31 31 GLY CA C 31 44.973 44.973 45.438 -0.465 19710 820 1 3 . 1 1 31 31 GLY H H 31 8.646 8.646 9.098 -0.452 19710 821 1 3 . 1 1 32 32 TYR N N 32 119.993 119.993 120.918 -0.925 19710 822 1 3 . 1 1 32 32 TYR HA H 32 4.620 4.620 4.759 -0.139 19710 823 1 3 . 1 1 32 32 TYR C C 32 175.254 175.254 176.713 -1.459 19710 824 1 3 . 1 1 32 32 TYR CA C 32 57.742 57.742 58.806 -1.065 19710 825 1 3 . 1 1 32 32 TYR CB C 32 40.377 40.377 40.454 -0.077 19710 826 1 3 . 1 1 32 32 TYR H H 32 8.119 8.119 7.707 0.412 19710 827 1 3 . 1 1 33 33 GLY N N 33 106.930 106.930 108.644 -1.714 19710 828 1 3 . 1 1 33 33 GLY CA C 33 44.052 44.052 46.500 -2.448 19710 829 1 3 . 1 1 33 33 GLY H H 33 8.510 8.510 8.289 0.221 19710 830 1 3 . 1 1 34 34 SER HA H 34 4.437 4.437 4.193 0.244 19710 831 1 3 . 1 1 34 34 SER C C 34 176.594 176.594 176.772 -0.178 19710 832 1 3 . 1 1 34 34 SER CA C 34 60.033 60.033 61.366 -1.333 19710 833 1 3 . 1 1 34 34 SER CB C 34 63.310 63.310 63.007 0.303 19710 834 1 3 . 1 1 35 35 THR N N 35 113.722 113.722 114.440 -0.718 19710 835 1 3 . 1 1 35 35 THR HA H 35 4.117 4.117 4.259 -0.142 19710 836 1 3 . 1 1 35 35 THR C C 35 175.474 175.474 175.450 0.024 19710 837 1 3 . 1 1 35 35 THR CA C 35 63.751 63.751 63.658 0.093 19710 838 1 3 . 1 1 35 35 THR CB C 35 68.542 68.542 68.675 -0.133 19710 839 1 3 . 1 1 35 35 THR H H 35 7.788 7.788 7.802 -0.014 19710 840 1 3 . 1 1 36 36 GLU N N 36 120.073 120.073 121.446 -1.373 19710 841 1 3 . 1 1 36 36 GLU HA H 36 4.386 4.386 4.068 0.318 19710 842 1 3 . 1 1 36 36 GLU C C 36 175.013 175.013 175.978 -0.965 19710 843 1 3 . 1 1 36 36 GLU CA C 36 55.865 55.865 56.682 -0.817 19710 844 1 3 . 1 1 36 36 GLU CB C 36 29.794 29.794 29.758 0.036 19710 845 1 3 . 1 1 36 36 GLU H H 36 7.825 7.825 7.617 0.208 19710 846 1 3 . 1 1 37 37 ASP N N 37 121.647 121.647 119.672 1.975 19710 847 1 3 . 1 1 37 37 ASP HA H 37 5.075 5.075 4.314 0.761 19710 848 1 3 . 1 1 37 37 ASP C C 37 178.071 178.071 176.699 1.372 19710 849 1 3 . 1 1 37 37 ASP CA C 37 55.606 55.606 54.952 0.654 19710 850 1 3 . 1 1 37 37 ASP CB C 37 39.712 39.712 39.576 0.136 19710 851 1 3 . 1 1 37 37 ASP H H 37 7.386 7.386 7.685 -0.299 19710 852 1 3 . 1 1 38 38 THR N N 38 111.963 111.963 114.034 -2.071 19710 853 1 3 . 1 1 38 38 THR HA H 38 4.675 4.675 4.310 0.365 19710 854 1 3 . 1 1 38 38 THR C C 38 173.399 173.399 173.137 0.262 19710 855 1 3 . 1 1 38 38 THR CA C 38 59.483 59.483 60.209 -0.726 19710 856 1 3 . 1 1 38 38 THR CB C 38 71.810 71.810 70.600 1.210 19710 857 1 3 . 1 1 38 38 THR H H 38 7.821 7.821 7.863 -0.042 19710 858 1 3 . 1 1 39 39 TRP N N 39 123.340 123.340 125.354 -2.014 19710 859 1 3 . 1 1 39 39 TRP HA H 39 4.835 4.835 5.516 -0.681 19710 860 1 3 . 1 1 39 39 TRP C C 39 177.090 177.090 175.177 1.913 19710 861 1 3 . 1 1 39 39 TRP CA C 39 56.443 56.443 54.628 1.815 19710 862 1 3 . 1 1 39 39 TRP CB C 39 29.574 29.574 28.641 0.933 19710 863 1 3 . 1 1 39 39 TRP H H 39 8.546 8.546 7.633 0.913 19710 864 1 3 . 1 1 40 40 GLU N N 40 124.822 124.822 124.205 0.617 19710 865 1 3 . 1 1 40 40 GLU HA H 40 5.196 5.196 4.553 0.643 19710 866 1 3 . 1 1 40 40 GLU CA C 40 51.859 51.859 54.394 -2.535 19710 867 1 3 . 1 1 40 40 GLU CB C 40 31.934 31.934 30.333 1.601 19710 868 1 3 . 1 1 40 40 GLU H H 40 9.710 9.710 7.932 1.778 19710 869 1 3 . 1 1 41 41 PRO HA H 41 4.783 4.783 4.831 -0.048 19710 870 1 3 . 1 1 41 41 PRO C C 41 178.201 178.201 178.145 0.056 19710 871 1 3 . 1 1 41 41 PRO CA C 41 62.030 62.030 62.913 -0.883 19710 872 1 3 . 1 1 41 41 PRO CB C 41 32.833 32.833 32.805 0.028 19710 873 1 3 . 1 1 42 42 GLU N N 42 118.959 118.959 124.572 -5.613 19710 874 1 3 . 1 1 42 42 GLU HA H 42 3.984 3.984 3.919 0.065 19710 875 1 3 . 1 1 42 42 GLU C C 42 177.841 177.841 178.619 -0.778 19710 876 1 3 . 1 1 42 42 GLU CA C 42 60.156 60.156 59.822 0.334 19710 877 1 3 . 1 1 42 42 GLU CB C 42 30.554 30.554 29.942 0.612 19710 878 1 3 . 1 1 42 42 GLU H H 42 8.531 8.531 8.622 -0.091 19710 879 1 3 . 1 1 43 43 HIS N N 43 113.679 113.679 114.468 -0.789 19710 880 1 3 . 1 1 43 43 HIS HA H 43 4.592 4.592 4.392 0.200 19710 881 1 3 . 1 1 43 43 HIS C C 43 176.547 176.547 175.831 0.716 19710 882 1 3 . 1 1 43 43 HIS CA C 43 58.187 58.187 57.128 1.059 19710 883 1 3 . 1 1 43 43 HIS CB C 43 29.362 29.362 29.545 -0.183 19710 884 1 3 . 1 1 43 43 HIS H H 43 7.998 7.998 8.324 -0.326 19710 885 1 3 . 1 1 44 44 HIS N N 44 119.428 119.428 115.055 4.373 19710 886 1 3 . 1 1 44 44 HIS HA H 44 4.886 4.886 4.740 0.146 19710 887 1 3 . 1 1 44 44 HIS C C 44 175.566 175.566 175.342 0.224 19710 888 1 3 . 1 1 44 44 HIS CA C 44 55.392 55.392 56.612 -1.220 19710 889 1 3 . 1 1 44 44 HIS CB C 44 30.049 30.049 32.526 -2.477 19710 890 1 3 . 1 1 44 44 HIS H H 44 7.755 7.755 7.914 -0.159 19710 891 1 3 . 1 1 45 45 LEU N N 45 119.789 119.789 119.110 0.679 19710 892 1 3 . 1 1 45 45 LEU HA H 45 4.580 4.580 4.210 0.370 19710 893 1 3 . 1 1 45 45 LEU C C 45 176.926 176.926 175.848 1.078 19710 894 1 3 . 1 1 45 45 LEU CA C 45 53.930 53.930 57.414 -3.484 19710 895 1 3 . 1 1 45 45 LEU CB C 45 42.010 42.010 42.716 -0.706 19710 896 1 3 . 1 1 45 45 LEU H H 45 7.601 7.601 7.424 0.177 19710 897 1 3 . 1 1 46 46 LEU N N 46 121.462 121.462 114.760 6.702 19710 898 1 3 . 1 1 46 46 LEU HA H 46 4.100 4.100 4.402 -0.302 19710 899 1 3 . 1 1 46 46 LEU CA C 46 56.925 56.925 54.044 2.881 19710 900 1 3 . 1 1 46 46 LEU CB C 46 41.703 41.703 44.426 -2.724 19710 901 1 3 . 1 1 46 46 LEU H H 46 7.696 7.696 7.514 0.182 19710 902 1 3 . 1 1 47 47 HIS HA H 47 4.742 4.742 4.593 0.149 19710 903 1 3 . 1 1 47 47 HIS C C 47 175.940 175.940 175.036 0.904 19710 904 1 3 . 1 1 47 47 HIS CA C 47 56.483 56.483 57.515 -1.032 19710 905 1 3 . 1 1 47 47 HIS CB C 47 29.209 29.209 30.770 -1.561 19710 906 1 3 . 1 1 48 48 CYS N N 48 118.214 118.214 119.942 -1.728 19710 907 1 3 . 1 1 48 48 CYS HA H 48 4.902 4.902 4.673 0.229 19710 908 1 3 . 1 1 48 48 CYS C C 48 174.988 174.988 175.402 -0.414 19710 909 1 3 . 1 1 48 48 CYS CA C 48 57.439 57.439 57.420 0.019 19710 910 1 3 . 1 1 48 48 CYS CB C 48 28.038 28.038 30.593 -2.555 19710 911 1 3 . 1 1 48 48 CYS H H 48 7.823 7.823 7.855 -0.032 19710 912 1 3 . 1 1 49 49 GLU N N 49 122.478 122.478 125.424 -2.946 19710 913 1 3 . 1 1 49 49 GLU HA H 49 3.718 3.718 4.115 -0.397 19710 914 1 3 . 1 1 49 49 GLU C C 49 177.607 177.607 177.259 0.348 19710 915 1 3 . 1 1 49 49 GLU CA C 49 60.496 60.496 59.001 1.495 19710 916 1 3 . 1 1 49 49 GLU CB C 49 29.391 29.391 29.850 -0.459 19710 917 1 3 . 1 1 49 49 GLU H H 49 8.524 8.524 9.121 -0.597 19710 918 1 3 . 1 1 50 50 GLU N N 50 118.424 118.424 118.242 0.182 19710 919 1 3 . 1 1 50 50 GLU HA H 50 4.035 4.035 4.036 -0.001 19710 920 1 3 . 1 1 50 50 GLU C C 50 178.942 178.942 178.497 0.445 19710 921 1 3 . 1 1 50 50 GLU CA C 50 59.341 59.341 58.882 0.459 19710 922 1 3 . 1 1 50 50 GLU CB C 50 28.492 28.492 28.562 -0.070 19710 923 1 3 . 1 1 50 50 GLU H H 50 9.192 9.192 8.857 0.335 19710 924 1 3 . 1 1 51 51 PHE N N 51 117.631 117.631 118.110 -0.479 19710 925 1 3 . 1 1 51 51 PHE HA H 51 4.345 4.345 4.568 -0.223 19710 926 1 3 . 1 1 51 51 PHE C C 51 179.013 179.013 178.117 0.896 19710 927 1 3 . 1 1 51 51 PHE CA C 51 59.916 59.916 61.143 -1.227 19710 928 1 3 . 1 1 51 51 PHE CB C 51 38.425 38.425 38.706 -0.281 19710 929 1 3 . 1 1 51 51 PHE H H 51 7.350 7.350 7.606 -0.256 19710 930 1 3 . 1 1 52 52 ILE N N 52 123.512 123.512 119.570 3.942 19710 931 1 3 . 1 1 52 52 ILE HA H 52 3.260 3.260 3.863 -0.603 19710 932 1 3 . 1 1 52 52 ILE C C 52 177.036 177.036 177.877 -0.841 19710 933 1 3 . 1 1 52 52 ILE CA C 52 65.356 65.356 64.449 0.907 19710 934 1 3 . 1 1 52 52 ILE CB C 52 38.172 38.172 37.456 0.716 19710 935 1 3 . 1 1 52 52 ILE H H 52 7.625 7.625 7.581 0.044 19710 936 1 3 . 1 1 53 53 ASP N N 53 120.257 120.257 120.016 0.241 19710 937 1 3 . 1 1 53 53 ASP HA H 53 4.302 4.302 4.381 -0.079 19710 938 1 3 . 1 1 53 53 ASP C C 53 179.243 179.243 178.348 0.895 19710 939 1 3 . 1 1 53 53 ASP CA C 53 57.343 57.343 57.866 -0.523 19710 940 1 3 . 1 1 53 53 ASP CB C 53 40.085 40.085 41.033 -0.948 19710 941 1 3 . 1 1 53 53 ASP H H 53 8.144 8.144 8.109 0.035 19710 942 1 3 . 1 1 54 54 GLU N N 54 119.707 119.707 119.225 0.482 19710 943 1 3 . 1 1 54 54 GLU HA H 54 3.944 3.944 4.058 -0.114 19710 944 1 3 . 1 1 54 54 GLU C C 54 178.652 178.652 178.710 -0.058 19710 945 1 3 . 1 1 54 54 GLU CA C 54 59.071 59.071 58.648 0.423 19710 946 1 3 . 1 1 54 54 GLU CB C 54 29.765 29.765 29.247 0.518 19710 947 1 3 . 1 1 54 54 GLU H H 54 7.875 7.875 8.003 -0.128 19710 948 1 3 . 1 1 55 55 PHE N N 55 120.573 120.573 122.228 -1.655 19710 949 1 3 . 1 1 55 55 PHE HA H 55 4.138 4.138 4.324 -0.186 19710 950 1 3 . 1 1 55 55 PHE C C 55 177.460 177.460 177.047 0.413 19710 951 1 3 . 1 1 55 55 PHE CA C 55 61.425 61.425 60.608 0.817 19710 952 1 3 . 1 1 55 55 PHE CB C 55 39.347 39.347 39.268 0.079 19710 953 1 3 . 1 1 55 55 PHE H H 55 7.784 7.784 8.177 -0.393 19710 954 1 3 . 1 1 56 56 ASN N N 56 117.284 117.284 117.128 0.156 19710 955 1 3 . 1 1 56 56 ASN HA H 56 4.349 4.349 4.225 0.124 19710 956 1 3 . 1 1 56 56 ASN C C 56 177.227 177.227 176.855 0.372 19710 957 1 3 . 1 1 56 56 ASN CA C 56 54.592 54.592 55.425 -0.833 19710 958 1 3 . 1 1 56 56 ASN CB C 56 37.947 37.947 38.335 -0.388 19710 959 1 3 . 1 1 56 56 ASN H H 56 8.563 8.563 8.093 0.470 19710 960 1 3 . 1 1 57 57 GLY N N 57 107.640 107.640 105.043 2.597 19710 961 1 3 . 1 1 57 57 GLY C C 57 174.906 174.906 175.539 -0.633 19710 962 1 3 . 1 1 57 57 GLY CA C 57 46.079 46.079 45.971 0.108 19710 963 1 3 . 1 1 57 57 GLY H H 57 7.890 7.890 7.287 0.603 19710 964 1 3 . 1 1 58 58 LEU N N 58 120.735 120.735 118.233 2.502 19710 965 1 3 . 1 1 58 58 LEU HA H 58 4.110 4.110 4.534 -0.424 19710 966 1 3 . 1 1 58 58 LEU C C 58 177.607 177.607 177.894 -0.287 19710 967 1 3 . 1 1 58 58 LEU CA C 58 55.836 55.836 57.175 -1.339 19710 968 1 3 . 1 1 58 58 LEU CB C 58 42.340 42.340 41.921 0.419 19710 969 1 3 . 1 1 58 58 LEU H H 58 7.528 7.528 7.758 -0.230 19710 970 1 3 . 1 1 59 59 HIS N N 59 118.359 118.359 118.700 -0.341 19710 971 1 3 . 1 1 59 59 HIS HA H 59 4.417 4.417 4.630 -0.213 19710 972 1 3 . 1 1 59 59 HIS C C 59 175.499 175.499 175.138 0.361 19710 973 1 3 . 1 1 59 59 HIS CA C 59 56.604 56.604 57.825 -1.221 19710 974 1 3 . 1 1 59 59 HIS CB C 59 30.480 30.480 31.511 -1.031 19710 975 1 3 . 1 1 59 59 HIS H H 59 7.875 7.875 7.891 -0.016 19710 976 1 3 . 1 1 60 60 MET N N 60 120.255 120.255 120.423 -0.168 19710 977 1 3 . 1 1 60 60 MET HA H 60 4.365 4.365 4.556 -0.191 19710 978 1 3 . 1 1 60 60 MET CA C 60 55.643 55.643 54.544 1.099 19710 979 1 3 . 1 1 60 60 MET CB C 60 32.684 32.684 34.112 -1.428 19710 980 1 3 . 1 1 60 60 MET H H 60 7.884 7.884 7.303 0.581 19710 981 1 3 . 1 1 62 62 LYS HA H 62 4.301 4.301 4.528 -0.227 19710 982 1 3 . 1 1 62 62 LYS C C 62 176.168 176.168 175.536 0.632 19710 983 1 3 . 1 1 62 62 LYS CA C 62 56.312 56.312 55.421 0.891 19710 984 1 3 . 1 1 62 62 LYS CB C 62 32.975 32.975 34.585 -1.610 19710 985 1 3 . 1 1 63 63 ASP N N 63 121.259 121.259 124.390 -3.131 19710 986 1 3 . 1 1 63 63 ASP HA H 63 4.540 4.540 4.598 -0.058 19710 987 1 3 . 1 1 63 63 ASP C C 63 175.024 175.024 176.009 -0.985 19710 988 1 3 . 1 1 63 63 ASP CA C 63 54.569 54.569 53.628 0.941 19710 989 1 3 . 1 1 63 63 ASP CB C 63 41.120 41.120 42.246 -1.127 19710 990 1 3 . 1 1 63 63 ASP H H 63 8.263 8.263 8.346 -0.083 19710 991 1 4 . 1 1 2 2 ALA HA H 2 4.257 4.257 4.434 -0.177 19710 992 1 4 . 1 1 2 2 ALA CA C 2 52.527 52.527 51.767 0.759 19710 993 1 4 . 1 1 2 2 ALA CB C 2 19.363 19.363 19.505 -0.142 19710 994 1 4 . 1 1 4 4 GLY C C 4 173.756 173.756 172.976 0.780 19710 995 1 4 . 1 1 4 4 GLY CA C 4 45.291 45.291 44.439 0.852 19710 996 1 4 . 1 1 5 5 ASP N N 5 120.203 120.203 119.432 0.771 19710 997 1 4 . 1 1 5 5 ASP HA H 5 4.451 4.451 4.437 0.014 19710 998 1 4 . 1 1 5 5 ASP C C 5 175.671 175.671 176.617 -0.946 19710 999 1 4 . 1 1 5 5 ASP CA C 5 54.422 54.422 55.181 -0.759 19710 1000 1 4 . 1 1 5 5 ASP CB C 5 41.179 41.179 41.156 0.023 19710 1001 1 4 . 1 1 5 5 ASP H H 5 8.028 8.028 8.143 -0.115 19710 1002 1 4 . 1 1 6 6 LEU N N 6 121.200 121.200 120.180 1.020 19710 1003 1 4 . 1 1 6 6 LEU HA H 6 4.135 4.135 4.295 -0.160 19710 1004 1 4 . 1 1 6 6 LEU C C 6 176.638 176.638 176.326 0.312 19710 1005 1 4 . 1 1 6 6 LEU CA C 6 55.097 55.097 53.721 1.376 19710 1006 1 4 . 1 1 6 6 LEU CB C 6 42.364 42.364 40.523 1.841 19710 1007 1 4 . 1 1 6 6 LEU H H 6 7.873 7.873 7.573 0.300 19710 1008 1 4 . 1 1 7 7 TYR N N 7 121.938 121.938 122.723 -0.785 19710 1009 1 4 . 1 1 7 7 TYR HA H 7 4.631 4.631 4.041 0.590 19710 1010 1 4 . 1 1 7 7 TYR C C 7 175.047 175.047 176.266 -1.219 19710 1011 1 4 . 1 1 7 7 TYR CA C 7 57.261 57.261 60.598 -3.337 19710 1012 1 4 . 1 1 7 7 TYR CB C 7 38.921 38.921 38.929 -0.008 19710 1013 1 4 . 1 1 7 7 TYR H H 7 8.011 8.011 7.253 0.758 19710 1014 1 4 . 1 1 8 8 GLU N N 8 122.393 122.393 116.395 5.998 19710 1015 1 4 . 1 1 8 8 GLU HA H 8 4.769 4.769 4.496 0.273 19710 1016 1 4 . 1 1 8 8 GLU C C 8 175.583 175.583 174.625 0.958 19710 1017 1 4 . 1 1 8 8 GLU CA C 8 54.988 54.988 55.073 -0.085 19710 1018 1 4 . 1 1 8 8 GLU CB C 8 32.551 32.551 32.024 0.527 19710 1019 1 4 . 1 1 8 8 GLU H H 8 9.047 9.047 7.757 1.290 19710 1020 1 4 . 1 1 9 9 VAL N N 9 126.546 126.546 122.765 3.781 19710 1021 1 4 . 1 1 9 9 VAL HA H 9 3.092 3.092 4.584 -1.492 19710 1022 1 4 . 1 1 9 9 VAL C C 9 175.170 175.170 175.121 0.049 19710 1023 1 4 . 1 1 9 9 VAL CA C 9 64.309 64.309 62.125 2.184 19710 1024 1 4 . 1 1 9 9 VAL CB C 9 32.983 32.983 32.929 0.054 19710 1025 1 4 . 1 1 9 9 VAL H H 9 8.677 8.677 8.409 0.268 19710 1026 1 4 . 1 1 10 10 GLU N N 10 126.674 126.674 128.413 -1.739 19710 1027 1 4 . 1 1 10 10 GLU HA H 10 4.234 4.234 4.388 -0.154 19710 1028 1 4 . 1 1 10 10 GLU C C 10 175.505 175.505 176.302 -0.797 19710 1029 1 4 . 1 1 10 10 GLU CA C 10 57.459 57.459 58.672 -1.214 19710 1030 1 4 . 1 1 10 10 GLU CB C 10 31.296 31.296 30.819 0.477 19710 1031 1 4 . 1 1 10 10 GLU H H 10 9.120 9.120 8.952 0.168 19710 1032 1 4 . 1 1 11 11 ARG N N 11 111.321 111.321 113.565 -2.244 19710 1033 1 4 . 1 1 11 11 ARG HA H 11 4.115 4.115 4.974 -0.859 19710 1034 1 4 . 1 1 11 11 ARG C C 11 172.330 172.330 173.987 -1.657 19710 1035 1 4 . 1 1 11 11 ARG CA C 11 54.723 54.723 55.066 -0.342 19710 1036 1 4 . 1 1 11 11 ARG CB C 11 32.309 32.309 32.252 0.057 19710 1037 1 4 . 1 1 11 11 ARG H H 11 7.476 7.476 7.775 -0.299 19710 1038 1 4 . 1 1 12 12 ILE N N 12 120.610 120.610 120.281 0.329 19710 1039 1 4 . 1 1 12 12 ILE HA H 12 4.085 4.085 4.093 -0.008 19710 1040 1 4 . 1 1 12 12 ILE C C 12 175.353 175.353 176.303 -0.950 19710 1041 1 4 . 1 1 12 12 ILE CA C 12 60.515 60.515 62.027 -1.512 19710 1042 1 4 . 1 1 12 12 ILE CB C 12 38.338 38.338 37.855 0.483 19710 1043 1 4 . 1 1 12 12 ILE H H 12 8.295 8.295 8.673 -0.378 19710 1044 1 4 . 1 1 13 13 VAL N N 13 122.026 122.026 127.969 -5.943 19710 1045 1 4 . 1 1 13 13 VAL HA H 13 4.047 4.047 3.896 0.151 19710 1046 1 4 . 1 1 13 13 VAL C C 13 175.311 175.311 175.766 -0.455 19710 1047 1 4 . 1 1 13 13 VAL CA C 13 62.460 62.460 64.929 -2.469 19710 1048 1 4 . 1 1 13 13 VAL CB C 13 33.344 33.344 32.657 0.687 19710 1049 1 4 . 1 1 13 13 VAL H H 13 8.939 8.939 8.788 0.151 19710 1050 1 4 . 1 1 14 14 ASP N N 14 117.407 117.407 113.772 3.635 19710 1051 1 4 . 1 1 14 14 ASP HA H 14 4.776 4.776 4.934 -0.158 19710 1052 1 4 . 1 1 14 14 ASP C C 14 173.374 173.374 173.658 -0.284 19710 1053 1 4 . 1 1 14 14 ASP CA C 14 53.034 53.034 52.860 0.174 19710 1054 1 4 . 1 1 14 14 ASP CB C 14 43.749 43.749 43.206 0.543 19710 1055 1 4 . 1 1 14 14 ASP H H 14 7.236 7.236 7.843 -0.607 19710 1056 1 4 . 1 1 15 15 LYS N N 15 118.628 118.628 118.154 0.474 19710 1057 1 4 . 1 1 15 15 LYS HA H 15 5.517 5.517 4.431 1.086 19710 1058 1 4 . 1 1 15 15 LYS C C 15 173.885 173.885 175.029 -1.144 19710 1059 1 4 . 1 1 15 15 LYS CA C 15 55.716 55.716 54.432 1.284 19710 1060 1 4 . 1 1 15 15 LYS CB C 15 37.575 37.575 35.455 2.120 19710 1061 1 4 . 1 1 15 15 LYS H H 15 9.430 9.430 8.306 1.124 19710 1062 1 4 . 1 1 16 16 ARG N N 16 120.175 120.175 115.883 4.292 19710 1063 1 4 . 1 1 16 16 ARG HA H 16 4.872 4.872 4.492 0.380 19710 1064 1 4 . 1 1 16 16 ARG C C 16 172.365 172.365 173.796 -1.431 19710 1065 1 4 . 1 1 16 16 ARG CA C 16 54.680 54.680 55.488 -0.808 19710 1066 1 4 . 1 1 16 16 ARG CB C 16 32.460 32.460 32.049 0.411 19710 1067 1 4 . 1 1 16 16 ARG H H 16 9.326 9.326 8.293 1.033 19710 1068 1 4 . 1 1 17 17 LYS N N 17 122.374 122.374 120.007 2.367 19710 1069 1 4 . 1 1 17 17 LYS HA H 17 4.306 4.306 4.886 -0.580 19710 1070 1 4 . 1 1 17 17 LYS C C 17 176.978 176.978 176.512 0.466 19710 1071 1 4 . 1 1 17 17 LYS CA C 17 54.557 54.557 54.219 0.338 19710 1072 1 4 . 1 1 17 17 LYS CB C 17 33.310 33.310 33.860 -0.550 19710 1073 1 4 . 1 1 17 17 LYS H H 17 8.480 8.480 8.352 0.128 19710 1074 1 4 . 1 1 18 18 ASN N N 18 123.092 123.092 122.612 0.480 19710 1075 1 4 . 1 1 18 18 ASN HA H 18 4.482 4.482 4.484 -0.002 19710 1076 1 4 . 1 1 18 18 ASN CA C 18 50.611 50.611 53.914 -3.303 19710 1077 1 4 . 1 1 18 18 ASN CB C 18 39.055 39.055 39.899 -0.844 19710 1078 1 4 . 1 1 18 18 ASN H H 18 8.736 8.736 8.480 0.256 19710 1079 1 4 . 1 1 19 19 LYS HA H 19 3.939 3.939 4.089 -0.150 19710 1080 1 4 . 1 1 19 19 LYS C C 19 177.548 177.548 177.527 0.021 19710 1081 1 4 . 1 1 19 19 LYS CA C 19 58.543 58.543 58.351 0.192 19710 1082 1 4 . 1 1 19 19 LYS CB C 19 31.933 31.933 31.877 0.057 19710 1083 1 4 . 1 1 20 20 LYS N N 20 117.362 117.362 119.104 -1.742 19710 1084 1 4 . 1 1 20 20 LYS HA H 20 4.262 4.262 4.233 0.029 19710 1085 1 4 . 1 1 20 20 LYS C C 20 176.514 176.514 176.406 0.108 19710 1086 1 4 . 1 1 20 20 LYS CA C 20 55.489 55.489 55.857 -0.368 19710 1087 1 4 . 1 1 20 20 LYS CB C 20 32.105 32.105 32.576 -0.471 19710 1088 1 4 . 1 1 20 20 LYS H H 20 7.491 7.491 7.867 -0.376 19710 1089 1 4 . 1 1 21 21 GLY N N 21 107.275 107.275 107.812 -0.537 19710 1090 1 4 . 1 1 21 21 GLY C C 21 173.503 173.503 173.553 -0.050 19710 1091 1 4 . 1 1 21 21 GLY CA C 21 45.413 45.413 45.364 0.049 19710 1092 1 4 . 1 1 21 21 GLY H H 21 7.966 7.966 7.575 0.391 19710 1093 1 4 . 1 1 22 22 LYS N N 22 119.753 119.753 117.682 2.071 19710 1094 1 4 . 1 1 22 22 LYS HA H 22 4.380 4.380 4.363 0.017 19710 1095 1 4 . 1 1 22 22 LYS C C 22 175.319 175.319 176.256 -0.937 19710 1096 1 4 . 1 1 22 22 LYS CA C 22 53.197 53.197 54.382 -1.185 19710 1097 1 4 . 1 1 22 22 LYS CB C 22 33.531 33.531 33.793 -0.262 19710 1098 1 4 . 1 1 22 22 LYS H H 22 7.457 7.457 7.613 -0.156 19710 1099 1 4 . 1 1 23 23 TRP N N 23 120.227 120.227 122.340 -2.113 19710 1100 1 4 . 1 1 23 23 TRP HA H 23 4.837 4.837 4.676 0.161 19710 1101 1 4 . 1 1 23 23 TRP C C 23 176.246 176.246 176.209 0.037 19710 1102 1 4 . 1 1 23 23 TRP CA C 23 57.338 57.338 57.374 -0.036 19710 1103 1 4 . 1 1 23 23 TRP CB C 23 31.142 31.142 29.537 1.605 19710 1104 1 4 . 1 1 23 23 TRP H H 23 8.564 8.564 9.020 -0.456 19710 1105 1 4 . 1 1 24 24 GLU N N 24 120.044 120.044 122.099 -2.055 19710 1106 1 4 . 1 1 24 24 GLU HA H 24 4.921 4.921 4.882 0.039 19710 1107 1 4 . 1 1 24 24 GLU C C 24 174.505 174.505 175.121 -0.616 19710 1108 1 4 . 1 1 24 24 GLU CA C 24 54.223 54.223 54.550 -0.327 19710 1109 1 4 . 1 1 24 24 GLU CB C 24 33.711 33.711 33.792 -0.081 19710 1110 1 4 . 1 1 24 24 GLU H H 24 9.257 9.257 8.447 0.810 19710 1111 1 4 . 1 1 25 25 TYR N N 25 118.993 118.993 120.749 -1.756 19710 1112 1 4 . 1 1 25 25 TYR HA H 25 5.017 5.017 4.639 0.378 19710 1113 1 4 . 1 1 25 25 TYR C C 25 173.068 173.068 174.359 -1.291 19710 1114 1 4 . 1 1 25 25 TYR CA C 25 57.173 57.173 57.107 0.066 19710 1115 1 4 . 1 1 25 25 TYR CB C 25 41.873 41.873 41.623 0.250 19710 1116 1 4 . 1 1 25 25 TYR H H 25 9.119 9.119 9.083 0.036 19710 1117 1 4 . 1 1 26 26 LEU N N 26 128.028 128.028 125.898 2.130 19710 1118 1 4 . 1 1 26 26 LEU HA H 26 3.632 3.632 4.559 -0.927 19710 1119 1 4 . 1 1 26 26 LEU C C 26 173.813 173.813 175.376 -1.563 19710 1120 1 4 . 1 1 26 26 LEU CA C 26 53.371 53.371 54.910 -1.538 19710 1121 1 4 . 1 1 26 26 LEU CB C 26 39.946 39.946 42.193 -2.247 19710 1122 1 4 . 1 1 26 26 LEU H H 26 7.788 7.788 8.194 -0.406 19710 1123 1 4 . 1 1 27 27 ILE N N 27 130.050 130.050 127.167 2.883 19710 1124 1 4 . 1 1 27 27 ILE HA H 27 3.604 3.604 4.569 -0.965 19710 1125 1 4 . 1 1 27 27 ILE C C 27 173.398 173.398 174.371 -0.973 19710 1126 1 4 . 1 1 27 27 ILE CA C 27 58.760 58.760 58.371 0.389 19710 1127 1 4 . 1 1 27 27 ILE CB C 27 38.186 38.186 39.918 -1.732 19710 1128 1 4 . 1 1 27 27 ILE H H 27 8.752 8.752 9.007 -0.255 19710 1129 1 4 . 1 1 28 28 ARG N N 28 123.071 123.071 121.765 1.306 19710 1130 1 4 . 1 1 28 28 ARG HA H 28 4.474 4.474 4.612 -0.138 19710 1131 1 4 . 1 1 28 28 ARG C C 28 174.476 174.476 175.291 -0.815 19710 1132 1 4 . 1 1 28 28 ARG CA C 28 52.104 52.104 54.406 -2.302 19710 1133 1 4 . 1 1 28 28 ARG CB C 28 29.007 29.007 31.957 -2.950 19710 1134 1 4 . 1 1 28 28 ARG H H 28 7.453 7.453 8.292 -0.839 19710 1135 1 4 . 1 1 29 29 TRP N N 29 132.787 132.787 123.477 9.310 19710 1136 1 4 . 1 1 29 29 TRP HA H 29 4.731 4.731 4.821 -0.090 19710 1137 1 4 . 1 1 29 29 TRP C C 29 176.623 176.623 176.920 -0.297 19710 1138 1 4 . 1 1 29 29 TRP CA C 29 55.653 55.653 55.280 0.373 19710 1139 1 4 . 1 1 29 29 TRP CB C 29 31.065 31.065 30.225 0.840 19710 1140 1 4 . 1 1 29 29 TRP H H 29 9.197 9.197 8.618 0.579 19710 1141 1 4 . 1 1 30 30 LYS N N 30 122.843 122.843 122.025 0.818 19710 1142 1 4 . 1 1 30 30 LYS HA H 30 4.212 4.212 4.312 -0.100 19710 1143 1 4 . 1 1 30 30 LYS C C 30 177.688 177.688 177.424 0.264 19710 1144 1 4 . 1 1 30 30 LYS CA C 30 58.203 58.203 58.154 0.049 19710 1145 1 4 . 1 1 30 30 LYS CB C 30 33.152 33.152 33.024 0.128 19710 1146 1 4 . 1 1 30 30 LYS H H 30 9.134 9.134 8.632 0.502 19710 1147 1 4 . 1 1 31 31 GLY N N 31 113.057 113.057 112.770 0.287 19710 1148 1 4 . 1 1 31 31 GLY C C 31 173.562 173.562 173.722 -0.160 19710 1149 1 4 . 1 1 31 31 GLY CA C 31 44.973 44.973 44.871 0.102 19710 1150 1 4 . 1 1 31 31 GLY H H 31 8.646 8.646 8.795 -0.149 19710 1151 1 4 . 1 1 32 32 TYR N N 32 119.993 119.993 120.911 -0.918 19710 1152 1 4 . 1 1 32 32 TYR HA H 32 4.620 4.620 4.796 -0.176 19710 1153 1 4 . 1 1 32 32 TYR C C 32 175.254 175.254 175.309 -0.055 19710 1154 1 4 . 1 1 32 32 TYR CA C 32 57.742 57.742 56.423 1.319 19710 1155 1 4 . 1 1 32 32 TYR CB C 32 40.377 40.377 40.556 -0.179 19710 1156 1 4 . 1 1 32 32 TYR H H 32 8.119 8.119 7.606 0.513 19710 1157 1 4 . 1 1 33 33 GLY N N 33 106.930 106.930 107.673 -0.743 19710 1158 1 4 . 1 1 33 33 GLY CA C 33 44.052 44.052 44.793 -0.741 19710 1159 1 4 . 1 1 33 33 GLY H H 33 8.510 8.510 8.327 0.183 19710 1160 1 4 . 1 1 34 34 SER HA H 34 4.437 4.437 4.599 -0.162 19710 1161 1 4 . 1 1 34 34 SER C C 34 176.594 176.594 176.624 -0.030 19710 1162 1 4 . 1 1 34 34 SER CA C 34 60.033 60.033 59.991 0.042 19710 1163 1 4 . 1 1 34 34 SER CB C 34 63.310 63.310 63.057 0.253 19710 1164 1 4 . 1 1 35 35 THR N N 35 113.722 113.722 114.494 -0.772 19710 1165 1 4 . 1 1 35 35 THR HA H 35 4.117 4.117 4.156 -0.039 19710 1166 1 4 . 1 1 35 35 THR C C 35 175.474 175.474 175.406 0.068 19710 1167 1 4 . 1 1 35 35 THR CA C 35 63.751 63.751 64.058 -0.307 19710 1168 1 4 . 1 1 35 35 THR CB C 35 68.542 68.542 68.632 -0.090 19710 1169 1 4 . 1 1 35 35 THR H H 35 7.788 7.788 8.087 -0.299 19710 1170 1 4 . 1 1 36 36 GLU N N 36 120.073 120.073 120.901 -0.828 19710 1171 1 4 . 1 1 36 36 GLU HA H 36 4.386 4.386 4.049 0.337 19710 1172 1 4 . 1 1 36 36 GLU C C 36 175.013 175.013 175.999 -0.986 19710 1173 1 4 . 1 1 36 36 GLU CA C 36 55.865 55.865 57.041 -1.176 19710 1174 1 4 . 1 1 36 36 GLU CB C 36 29.794 29.794 29.901 -0.107 19710 1175 1 4 . 1 1 36 36 GLU H H 36 7.825 7.825 7.400 0.425 19710 1176 1 4 . 1 1 37 37 ASP N N 37 121.647 121.647 120.200 1.447 19710 1177 1 4 . 1 1 37 37 ASP HA H 37 5.075 5.075 4.195 0.880 19710 1178 1 4 . 1 1 37 37 ASP C C 37 178.071 178.071 175.511 2.560 19710 1179 1 4 . 1 1 37 37 ASP CA C 37 55.606 55.606 55.228 0.378 19710 1180 1 4 . 1 1 37 37 ASP CB C 37 39.712 39.712 39.186 0.526 19710 1181 1 4 . 1 1 37 37 ASP H H 37 7.386 7.386 7.802 -0.416 19710 1182 1 4 . 1 1 38 38 THR N N 38 111.963 111.963 114.719 -2.756 19710 1183 1 4 . 1 1 38 38 THR HA H 38 4.675 4.675 4.031 0.644 19710 1184 1 4 . 1 1 38 38 THR C C 38 173.399 173.399 173.944 -0.545 19710 1185 1 4 . 1 1 38 38 THR CA C 38 59.483 59.483 60.188 -0.705 19710 1186 1 4 . 1 1 38 38 THR CB C 38 71.810 71.810 70.337 1.473 19710 1187 1 4 . 1 1 38 38 THR H H 38 7.821 7.821 7.931 -0.110 19710 1188 1 4 . 1 1 39 39 TRP N N 39 123.340 123.340 128.037 -4.697 19710 1189 1 4 . 1 1 39 39 TRP HA H 39 4.835 4.835 5.037 -0.202 19710 1190 1 4 . 1 1 39 39 TRP C C 39 177.090 177.090 175.800 1.290 19710 1191 1 4 . 1 1 39 39 TRP CA C 39 56.443 56.443 55.768 0.675 19710 1192 1 4 . 1 1 39 39 TRP CB C 39 29.574 29.574 28.262 1.312 19710 1193 1 4 . 1 1 39 39 TRP H H 39 8.546 8.546 8.472 0.074 19710 1194 1 4 . 1 1 40 40 GLU N N 40 124.822 124.822 124.666 0.156 19710 1195 1 4 . 1 1 40 40 GLU HA H 40 5.196 5.196 4.935 0.261 19710 1196 1 4 . 1 1 40 40 GLU CA C 40 51.859 51.859 53.415 -1.556 19710 1197 1 4 . 1 1 40 40 GLU CB C 40 31.934 31.934 31.309 0.625 19710 1198 1 4 . 1 1 40 40 GLU H H 40 9.710 9.710 8.469 1.241 19710 1199 1 4 . 1 1 41 41 PRO HA H 41 4.783 4.783 4.942 -0.159 19710 1200 1 4 . 1 1 41 41 PRO C C 41 178.201 178.201 178.178 0.023 19710 1201 1 4 . 1 1 41 41 PRO CA C 41 62.030 62.030 62.922 -0.892 19710 1202 1 4 . 1 1 41 41 PRO CB C 41 32.833 32.833 32.883 -0.050 19710 1203 1 4 . 1 1 42 42 GLU N N 42 118.959 118.959 124.052 -5.093 19710 1204 1 4 . 1 1 42 42 GLU HA H 42 3.984 3.984 4.041 -0.057 19710 1205 1 4 . 1 1 42 42 GLU C C 42 177.841 177.841 178.581 -0.740 19710 1206 1 4 . 1 1 42 42 GLU CA C 42 60.156 60.156 59.907 0.249 19710 1207 1 4 . 1 1 42 42 GLU CB C 42 30.554 30.554 29.942 0.612 19710 1208 1 4 . 1 1 42 42 GLU H H 42 8.531 8.531 8.861 -0.330 19710 1209 1 4 . 1 1 43 43 HIS N N 43 113.679 113.679 115.760 -2.081 19710 1210 1 4 . 1 1 43 43 HIS HA H 43 4.592 4.592 4.354 0.238 19710 1211 1 4 . 1 1 43 43 HIS C C 43 176.547 176.547 175.739 0.808 19710 1212 1 4 . 1 1 43 43 HIS CA C 43 58.187 58.187 57.943 0.244 19710 1213 1 4 . 1 1 43 43 HIS CB C 43 29.362 29.362 29.796 -0.434 19710 1214 1 4 . 1 1 43 43 HIS H H 43 7.998 7.998 8.611 -0.613 19710 1215 1 4 . 1 1 44 44 HIS N N 44 119.428 119.428 114.599 4.829 19710 1216 1 4 . 1 1 44 44 HIS HA H 44 4.886 4.886 4.679 0.207 19710 1217 1 4 . 1 1 44 44 HIS C C 44 175.566 175.566 175.262 0.304 19710 1218 1 4 . 1 1 44 44 HIS CA C 44 55.392 55.392 55.960 -0.568 19710 1219 1 4 . 1 1 44 44 HIS CB C 44 30.049 30.049 32.371 -2.322 19710 1220 1 4 . 1 1 44 44 HIS H H 44 7.755 7.755 7.899 -0.144 19710 1221 1 4 . 1 1 45 45 LEU N N 45 119.789 119.789 119.829 -0.040 19710 1222 1 4 . 1 1 45 45 LEU HA H 45 4.580 4.580 4.284 0.296 19710 1223 1 4 . 1 1 45 45 LEU C C 45 176.926 176.926 175.789 1.137 19710 1224 1 4 . 1 1 45 45 LEU CA C 45 53.930 53.930 56.706 -2.776 19710 1225 1 4 . 1 1 45 45 LEU CB C 45 42.010 42.010 43.083 -1.073 19710 1226 1 4 . 1 1 45 45 LEU H H 45 7.601 7.601 7.381 0.220 19710 1227 1 4 . 1 1 46 46 LEU N N 46 121.462 121.462 114.839 6.623 19710 1228 1 4 . 1 1 46 46 LEU HA H 46 4.100 4.100 4.339 -0.239 19710 1229 1 4 . 1 1 46 46 LEU CA C 46 56.925 56.925 54.527 2.398 19710 1230 1 4 . 1 1 46 46 LEU CB C 46 41.703 41.703 43.579 -1.876 19710 1231 1 4 . 1 1 46 46 LEU H H 46 7.696 7.696 7.387 0.309 19710 1232 1 4 . 1 1 47 47 HIS HA H 47 4.742 4.742 4.654 0.088 19710 1233 1 4 . 1 1 47 47 HIS C C 47 175.940 175.940 174.644 1.296 19710 1234 1 4 . 1 1 47 47 HIS CA C 47 56.483 56.483 56.410 0.073 19710 1235 1 4 . 1 1 47 47 HIS CB C 47 29.209 29.209 30.711 -1.502 19710 1236 1 4 . 1 1 48 48 CYS N N 48 118.214 118.214 121.453 -3.239 19710 1237 1 4 . 1 1 48 48 CYS HA H 48 4.902 4.902 4.570 0.332 19710 1238 1 4 . 1 1 48 48 CYS C C 48 174.988 174.988 175.279 -0.291 19710 1239 1 4 . 1 1 48 48 CYS CA C 48 57.439 57.439 58.248 -0.809 19710 1240 1 4 . 1 1 48 48 CYS CB C 48 28.038 28.038 28.340 -0.302 19710 1241 1 4 . 1 1 48 48 CYS H H 48 7.823 7.823 8.023 -0.200 19710 1242 1 4 . 1 1 49 49 GLU N N 49 122.478 122.478 126.419 -3.941 19710 1243 1 4 . 1 1 49 49 GLU HA H 49 3.718 3.718 4.046 -0.328 19710 1244 1 4 . 1 1 49 49 GLU C C 49 177.607 177.607 177.189 0.418 19710 1245 1 4 . 1 1 49 49 GLU CA C 49 60.496 60.496 58.672 1.824 19710 1246 1 4 . 1 1 49 49 GLU CB C 49 29.391 29.391 29.794 -0.403 19710 1247 1 4 . 1 1 49 49 GLU H H 49 8.524 8.524 8.991 -0.467 19710 1248 1 4 . 1 1 50 50 GLU N N 50 118.424 118.424 118.345 0.079 19710 1249 1 4 . 1 1 50 50 GLU HA H 50 4.035 4.035 3.984 0.051 19710 1250 1 4 . 1 1 50 50 GLU C C 50 178.942 178.942 178.528 0.414 19710 1251 1 4 . 1 1 50 50 GLU CA C 50 59.341 59.341 58.909 0.432 19710 1252 1 4 . 1 1 50 50 GLU CB C 50 28.492 28.492 28.607 -0.115 19710 1253 1 4 . 1 1 50 50 GLU H H 50 9.192 9.192 8.776 0.416 19710 1254 1 4 . 1 1 51 51 PHE N N 51 117.631 117.631 117.833 -0.202 19710 1255 1 4 . 1 1 51 51 PHE HA H 51 4.345 4.345 4.568 -0.223 19710 1256 1 4 . 1 1 51 51 PHE C C 51 179.013 179.013 178.163 0.850 19710 1257 1 4 . 1 1 51 51 PHE CA C 51 59.916 59.916 60.988 -1.072 19710 1258 1 4 . 1 1 51 51 PHE CB C 51 38.425 38.425 38.899 -0.474 19710 1259 1 4 . 1 1 51 51 PHE H H 51 7.350 7.350 7.551 -0.201 19710 1260 1 4 . 1 1 52 52 ILE N N 52 123.512 123.512 119.360 4.152 19710 1261 1 4 . 1 1 52 52 ILE HA H 52 3.260 3.260 3.700 -0.440 19710 1262 1 4 . 1 1 52 52 ILE C C 52 177.036 177.036 177.755 -0.719 19710 1263 1 4 . 1 1 52 52 ILE CA C 52 65.356 65.356 64.725 0.631 19710 1264 1 4 . 1 1 52 52 ILE CB C 52 38.172 38.172 37.472 0.700 19710 1265 1 4 . 1 1 52 52 ILE H H 52 7.625 7.625 7.866 -0.241 19710 1266 1 4 . 1 1 53 53 ASP N N 53 120.257 120.257 119.861 0.396 19710 1267 1 4 . 1 1 53 53 ASP HA H 53 4.302 4.302 4.376 -0.074 19710 1268 1 4 . 1 1 53 53 ASP C C 53 179.243 179.243 178.413 0.830 19710 1269 1 4 . 1 1 53 53 ASP CA C 53 57.343 57.343 57.876 -0.533 19710 1270 1 4 . 1 1 53 53 ASP CB C 53 40.085 40.085 41.005 -0.920 19710 1271 1 4 . 1 1 53 53 ASP H H 53 8.144 8.144 8.120 0.024 19710 1272 1 4 . 1 1 54 54 GLU N N 54 119.707 119.707 119.404 0.303 19710 1273 1 4 . 1 1 54 54 GLU HA H 54 3.944 3.944 4.053 -0.109 19710 1274 1 4 . 1 1 54 54 GLU C C 54 178.652 178.652 178.681 -0.029 19710 1275 1 4 . 1 1 54 54 GLU CA C 54 59.071 59.071 58.681 0.390 19710 1276 1 4 . 1 1 54 54 GLU CB C 54 29.765 29.765 29.280 0.485 19710 1277 1 4 . 1 1 54 54 GLU H H 54 7.875 7.875 7.900 -0.025 19710 1278 1 4 . 1 1 55 55 PHE N N 55 120.573 120.573 122.029 -1.456 19710 1279 1 4 . 1 1 55 55 PHE HA H 55 4.138 4.138 4.276 -0.138 19710 1280 1 4 . 1 1 55 55 PHE C C 55 177.460 177.460 176.962 0.498 19710 1281 1 4 . 1 1 55 55 PHE CA C 55 61.425 61.425 60.602 0.823 19710 1282 1 4 . 1 1 55 55 PHE CB C 55 39.347 39.347 39.495 -0.148 19710 1283 1 4 . 1 1 55 55 PHE H H 55 7.784 7.784 8.228 -0.444 19710 1284 1 4 . 1 1 56 56 ASN N N 56 117.284 117.284 117.940 -0.656 19710 1285 1 4 . 1 1 56 56 ASN HA H 56 4.349 4.349 4.313 0.036 19710 1286 1 4 . 1 1 56 56 ASN C C 56 177.227 177.227 177.657 -0.430 19710 1287 1 4 . 1 1 56 56 ASN CA C 56 54.592 54.592 55.544 -0.952 19710 1288 1 4 . 1 1 56 56 ASN CB C 56 37.947 37.947 38.415 -0.468 19710 1289 1 4 . 1 1 56 56 ASN H H 56 8.563 8.563 8.174 0.389 19710 1290 1 4 . 1 1 57 57 GLY N N 57 107.640 107.640 107.570 0.070 19710 1291 1 4 . 1 1 57 57 GLY C C 57 174.906 174.906 175.295 -0.389 19710 1292 1 4 . 1 1 57 57 GLY CA C 57 46.079 46.079 46.842 -0.763 19710 1293 1 4 . 1 1 57 57 GLY H H 57 7.890 7.890 7.758 0.132 19710 1294 1 4 . 1 1 58 58 LEU N N 58 120.735 120.735 118.389 2.346 19710 1295 1 4 . 1 1 58 58 LEU HA H 58 4.110 4.110 4.472 -0.362 19710 1296 1 4 . 1 1 58 58 LEU C C 58 177.607 177.607 178.315 -0.708 19710 1297 1 4 . 1 1 58 58 LEU CA C 58 55.836 55.836 57.041 -1.205 19710 1298 1 4 . 1 1 58 58 LEU CB C 58 42.340 42.340 41.580 0.760 19710 1299 1 4 . 1 1 58 58 LEU H H 58 7.528 7.528 7.504 0.024 19710 1300 1 4 . 1 1 59 59 HIS N N 59 118.359 118.359 118.929 -0.570 19710 1301 1 4 . 1 1 59 59 HIS HA H 59 4.417 4.417 4.325 0.092 19710 1302 1 4 . 1 1 59 59 HIS C C 59 175.499 175.499 175.227 0.272 19710 1303 1 4 . 1 1 59 59 HIS CA C 59 56.604 56.604 57.782 -1.178 19710 1304 1 4 . 1 1 59 59 HIS CB C 59 30.480 30.480 30.552 -0.072 19710 1305 1 4 . 1 1 59 59 HIS H H 59 7.875 7.875 7.901 -0.026 19710 1306 1 4 . 1 1 60 60 MET N N 60 120.255 120.255 119.618 0.637 19710 1307 1 4 . 1 1 60 60 MET HA H 60 4.365 4.365 4.505 -0.140 19710 1308 1 4 . 1 1 60 60 MET CA C 60 55.643 55.643 54.819 0.824 19710 1309 1 4 . 1 1 60 60 MET CB C 60 32.684 32.684 33.058 -0.374 19710 1310 1 4 . 1 1 60 60 MET H H 60 7.884 7.884 7.683 0.201 19710 1311 1 4 . 1 1 62 62 LYS HA H 62 4.301 4.301 4.441 -0.140 19710 1312 1 4 . 1 1 62 62 LYS C C 62 176.168 176.168 175.899 0.269 19710 1313 1 4 . 1 1 62 62 LYS CA C 62 56.312 56.312 55.562 0.750 19710 1314 1 4 . 1 1 62 62 LYS CB C 62 32.975 32.975 33.688 -0.713 19710 1315 1 4 . 1 1 63 63 ASP N N 63 121.259 121.259 124.966 -3.707 19710 1316 1 4 . 1 1 63 63 ASP HA H 63 4.540 4.540 4.625 -0.085 19710 1317 1 4 . 1 1 63 63 ASP C C 63 175.024 175.024 176.678 -1.654 19710 1318 1 4 . 1 1 63 63 ASP CA C 63 54.569 54.569 53.941 0.628 19710 1319 1 4 . 1 1 63 63 ASP CB C 63 41.120 41.120 41.943 -0.823 19710 1320 1 4 . 1 1 63 63 ASP H H 63 8.263 8.263 8.382 -0.119 19710 1321 1 5 . 1 1 2 2 ALA HA H 2 4.257 4.257 4.105 0.152 19710 1322 1 5 . 1 1 2 2 ALA CA C 2 52.527 52.527 54.667 -2.140 19710 1323 1 5 . 1 1 2 2 ALA CB C 2 19.363 19.363 17.219 2.144 19710 1324 1 5 . 1 1 4 4 GLY C C 4 173.756 173.756 174.755 -0.999 19710 1325 1 5 . 1 1 4 4 GLY CA C 4 45.291 45.291 46.172 -0.881 19710 1326 1 5 . 1 1 5 5 ASP N N 5 120.203 120.203 125.169 -4.966 19710 1327 1 5 . 1 1 5 5 ASP HA H 5 4.451 4.451 4.189 0.262 19710 1328 1 5 . 1 1 5 5 ASP C C 5 175.671 175.671 177.066 -1.395 19710 1329 1 5 . 1 1 5 5 ASP CA C 5 54.422 54.422 56.356 -1.934 19710 1330 1 5 . 1 1 5 5 ASP CB C 5 41.179 41.179 40.742 0.437 19710 1331 1 5 . 1 1 5 5 ASP H H 5 8.028 8.028 8.143 -0.115 19710 1332 1 5 . 1 1 6 6 LEU N N 6 121.200 121.200 120.589 0.611 19710 1333 1 5 . 1 1 6 6 LEU HA H 6 4.135 4.135 4.409 -0.274 19710 1334 1 5 . 1 1 6 6 LEU C C 6 176.638 176.638 176.708 -0.070 19710 1335 1 5 . 1 1 6 6 LEU CA C 6 55.097 55.097 53.491 1.606 19710 1336 1 5 . 1 1 6 6 LEU CB C 6 42.364 42.364 39.705 2.659 19710 1337 1 5 . 1 1 6 6 LEU H H 6 7.873 7.873 7.234 0.639 19710 1338 1 5 . 1 1 7 7 TYR N N 7 121.938 121.938 121.185 0.753 19710 1339 1 5 . 1 1 7 7 TYR HA H 7 4.631 4.631 4.049 0.582 19710 1340 1 5 . 1 1 7 7 TYR C C 7 175.047 175.047 176.540 -1.493 19710 1341 1 5 . 1 1 7 7 TYR CA C 7 57.261 57.261 60.642 -3.381 19710 1342 1 5 . 1 1 7 7 TYR CB C 7 38.921 38.921 38.746 0.175 19710 1343 1 5 . 1 1 7 7 TYR H H 7 8.011 8.011 7.143 0.868 19710 1344 1 5 . 1 1 8 8 GLU N N 8 122.393 122.393 117.403 4.990 19710 1345 1 5 . 1 1 8 8 GLU HA H 8 4.769 4.769 4.552 0.217 19710 1346 1 5 . 1 1 8 8 GLU C C 8 175.583 175.583 174.823 0.760 19710 1347 1 5 . 1 1 8 8 GLU CA C 8 54.988 54.988 55.623 -0.635 19710 1348 1 5 . 1 1 8 8 GLU CB C 8 32.551 32.551 30.611 1.940 19710 1349 1 5 . 1 1 8 8 GLU H H 8 9.047 9.047 8.251 0.796 19710 1350 1 5 . 1 1 9 9 VAL N N 9 126.546 126.546 120.704 5.842 19710 1351 1 5 . 1 1 9 9 VAL HA H 9 3.092 3.092 4.179 -1.087 19710 1352 1 5 . 1 1 9 9 VAL C C 9 175.170 175.170 175.379 -0.209 19710 1353 1 5 . 1 1 9 9 VAL CA C 9 64.309 64.309 62.839 1.470 19710 1354 1 5 . 1 1 9 9 VAL CB C 9 32.983 32.983 32.622 0.361 19710 1355 1 5 . 1 1 9 9 VAL H H 9 8.677 8.677 8.260 0.417 19710 1356 1 5 . 1 1 10 10 GLU N N 10 126.674 126.674 128.391 -1.717 19710 1357 1 5 . 1 1 10 10 GLU HA H 10 4.234 4.234 4.424 -0.190 19710 1358 1 5 . 1 1 10 10 GLU C C 10 175.505 175.505 176.380 -0.875 19710 1359 1 5 . 1 1 10 10 GLU CA C 10 57.459 57.459 58.358 -0.899 19710 1360 1 5 . 1 1 10 10 GLU CB C 10 31.296 31.296 30.794 0.502 19710 1361 1 5 . 1 1 10 10 GLU H H 10 9.120 9.120 8.805 0.315 19710 1362 1 5 . 1 1 11 11 ARG N N 11 111.321 111.321 114.636 -3.315 19710 1363 1 5 . 1 1 11 11 ARG HA H 11 4.115 4.115 4.885 -0.770 19710 1364 1 5 . 1 1 11 11 ARG C C 11 172.330 172.330 174.229 -1.899 19710 1365 1 5 . 1 1 11 11 ARG CA C 11 54.723 54.723 54.923 -0.200 19710 1366 1 5 . 1 1 11 11 ARG CB C 11 32.309 32.309 32.704 -0.395 19710 1367 1 5 . 1 1 11 11 ARG H H 11 7.476 7.476 7.720 -0.244 19710 1368 1 5 . 1 1 12 12 ILE N N 12 120.610 120.610 121.253 -0.643 19710 1369 1 5 . 1 1 12 12 ILE HA H 12 4.085 4.085 4.132 -0.047 19710 1370 1 5 . 1 1 12 12 ILE C C 12 175.353 175.353 176.360 -1.007 19710 1371 1 5 . 1 1 12 12 ILE CA C 12 60.515 60.515 62.453 -1.938 19710 1372 1 5 . 1 1 12 12 ILE CB C 12 38.338 38.338 37.588 0.750 19710 1373 1 5 . 1 1 12 12 ILE H H 12 8.295 8.295 8.900 -0.605 19710 1374 1 5 . 1 1 13 13 VAL N N 13 122.026 122.026 128.683 -6.657 19710 1375 1 5 . 1 1 13 13 VAL HA H 13 4.047 4.047 3.889 0.158 19710 1376 1 5 . 1 1 13 13 VAL C C 13 175.311 175.311 175.925 -0.614 19710 1377 1 5 . 1 1 13 13 VAL CA C 13 62.460 62.460 64.867 -2.407 19710 1378 1 5 . 1 1 13 13 VAL CB C 13 33.344 33.344 32.610 0.734 19710 1379 1 5 . 1 1 13 13 VAL H H 13 8.939 8.939 8.852 0.087 19710 1380 1 5 . 1 1 14 14 ASP N N 14 117.407 117.407 114.722 2.685 19710 1381 1 5 . 1 1 14 14 ASP HA H 14 4.776 4.776 4.955 -0.179 19710 1382 1 5 . 1 1 14 14 ASP C C 14 173.374 173.374 173.509 -0.135 19710 1383 1 5 . 1 1 14 14 ASP CA C 14 53.034 53.034 52.946 0.088 19710 1384 1 5 . 1 1 14 14 ASP CB C 14 43.749 43.749 43.199 0.550 19710 1385 1 5 . 1 1 14 14 ASP H H 14 7.236 7.236 7.901 -0.665 19710 1386 1 5 . 1 1 15 15 LYS N N 15 118.628 118.628 118.670 -0.042 19710 1387 1 5 . 1 1 15 15 LYS HA H 15 5.517 5.517 4.702 0.815 19710 1388 1 5 . 1 1 15 15 LYS C C 15 173.885 173.885 174.346 -0.461 19710 1389 1 5 . 1 1 15 15 LYS CA C 15 55.716 55.716 54.696 1.020 19710 1390 1 5 . 1 1 15 15 LYS CB C 15 37.575 37.575 35.624 1.951 19710 1391 1 5 . 1 1 15 15 LYS H H 15 9.430 9.430 8.194 1.236 19710 1392 1 5 . 1 1 16 16 ARG N N 16 120.175 120.175 117.670 2.505 19710 1393 1 5 . 1 1 16 16 ARG HA H 16 4.872 4.872 4.462 0.410 19710 1394 1 5 . 1 1 16 16 ARG C C 16 172.365 172.365 173.595 -1.230 19710 1395 1 5 . 1 1 16 16 ARG CA C 16 54.680 54.680 54.828 -0.148 19710 1396 1 5 . 1 1 16 16 ARG CB C 16 32.460 32.460 31.837 0.623 19710 1397 1 5 . 1 1 16 16 ARG H H 16 9.326 9.326 8.794 0.532 19710 1398 1 5 . 1 1 17 17 LYS N N 17 122.374 122.374 120.704 1.670 19710 1399 1 5 . 1 1 17 17 LYS HA H 17 4.306 4.306 4.747 -0.441 19710 1400 1 5 . 1 1 17 17 LYS C C 17 176.978 176.978 176.595 0.383 19710 1401 1 5 . 1 1 17 17 LYS CA C 17 54.557 54.557 54.476 0.081 19710 1402 1 5 . 1 1 17 17 LYS CB C 17 33.310 33.310 32.723 0.587 19710 1403 1 5 . 1 1 17 17 LYS H H 17 8.480 8.480 8.328 0.152 19710 1404 1 5 . 1 1 18 18 ASN N N 18 123.092 123.092 124.961 -1.869 19710 1405 1 5 . 1 1 18 18 ASN HA H 18 4.482 4.482 4.451 0.031 19710 1406 1 5 . 1 1 18 18 ASN CA C 18 50.611 50.611 54.183 -3.572 19710 1407 1 5 . 1 1 18 18 ASN CB C 18 39.055 39.055 40.226 -1.171 19710 1408 1 5 . 1 1 18 18 ASN H H 18 8.736 8.736 8.414 0.322 19710 1409 1 5 . 1 1 19 19 LYS HA H 19 3.939 3.939 4.059 -0.120 19710 1410 1 5 . 1 1 19 19 LYS C C 19 177.548 177.548 177.703 -0.155 19710 1411 1 5 . 1 1 19 19 LYS CA C 19 58.543 58.543 58.444 0.099 19710 1412 1 5 . 1 1 19 19 LYS CB C 19 31.933 31.933 31.991 -0.059 19710 1413 1 5 . 1 1 20 20 LYS N N 20 117.362 117.362 117.781 -0.419 19710 1414 1 5 . 1 1 20 20 LYS HA H 20 4.262 4.262 4.312 -0.050 19710 1415 1 5 . 1 1 20 20 LYS C C 20 176.514 176.514 176.519 -0.005 19710 1416 1 5 . 1 1 20 20 LYS CA C 20 55.489 55.489 55.719 -0.230 19710 1417 1 5 . 1 1 20 20 LYS CB C 20 32.105 32.105 32.261 -0.156 19710 1418 1 5 . 1 1 20 20 LYS H H 20 7.491 7.491 8.013 -0.522 19710 1419 1 5 . 1 1 21 21 GLY N N 21 107.275 107.275 109.087 -1.812 19710 1420 1 5 . 1 1 21 21 GLY C C 21 173.503 173.503 174.352 -0.849 19710 1421 1 5 . 1 1 21 21 GLY CA C 21 45.413 45.413 45.810 -0.397 19710 1422 1 5 . 1 1 21 21 GLY H H 21 7.966 7.966 8.017 -0.051 19710 1423 1 5 . 1 1 22 22 LYS N N 22 119.753 119.753 119.482 0.271 19710 1424 1 5 . 1 1 22 22 LYS HA H 22 4.380 4.380 4.552 -0.172 19710 1425 1 5 . 1 1 22 22 LYS C C 22 175.319 175.319 176.470 -1.151 19710 1426 1 5 . 1 1 22 22 LYS CA C 22 53.197 53.197 54.542 -1.345 19710 1427 1 5 . 1 1 22 22 LYS CB C 22 33.531 33.531 33.685 -0.154 19710 1428 1 5 . 1 1 22 22 LYS H H 22 7.457 7.457 7.284 0.173 19710 1429 1 5 . 1 1 23 23 TRP N N 23 120.227 120.227 122.799 -2.572 19710 1430 1 5 . 1 1 23 23 TRP HA H 23 4.837 4.837 4.564 0.273 19710 1431 1 5 . 1 1 23 23 TRP C C 23 176.246 176.246 175.988 0.258 19710 1432 1 5 . 1 1 23 23 TRP CA C 23 57.338 57.338 58.339 -1.001 19710 1433 1 5 . 1 1 23 23 TRP CB C 23 31.142 31.142 29.459 1.683 19710 1434 1 5 . 1 1 23 23 TRP H H 23 8.564 8.564 8.973 -0.409 19710 1435 1 5 . 1 1 24 24 GLU N N 24 120.044 120.044 124.000 -3.956 19710 1436 1 5 . 1 1 24 24 GLU HA H 24 4.921 4.921 5.165 -0.244 19710 1437 1 5 . 1 1 24 24 GLU C C 24 174.505 174.505 174.400 0.105 19710 1438 1 5 . 1 1 24 24 GLU CA C 24 54.223 54.223 55.366 -1.143 19710 1439 1 5 . 1 1 24 24 GLU CB C 24 33.711 33.711 34.319 -0.608 19710 1440 1 5 . 1 1 24 24 GLU H H 24 9.257 9.257 8.595 0.662 19710 1441 1 5 . 1 1 25 25 TYR N N 25 118.993 118.993 124.144 -5.151 19710 1442 1 5 . 1 1 25 25 TYR HA H 25 5.017 5.017 4.752 0.265 19710 1443 1 5 . 1 1 25 25 TYR C C 25 173.068 173.068 174.476 -1.408 19710 1444 1 5 . 1 1 25 25 TYR CA C 25 57.173 57.173 56.708 0.465 19710 1445 1 5 . 1 1 25 25 TYR CB C 25 41.873 41.873 40.891 0.982 19710 1446 1 5 . 1 1 25 25 TYR H H 25 9.119 9.119 9.588 -0.469 19710 1447 1 5 . 1 1 26 26 LEU N N 26 128.028 128.028 126.142 1.886 19710 1448 1 5 . 1 1 26 26 LEU HA H 26 3.632 3.632 4.888 -1.256 19710 1449 1 5 . 1 1 26 26 LEU C C 26 173.813 173.813 175.588 -1.775 19710 1450 1 5 . 1 1 26 26 LEU CA C 26 53.371 53.371 55.040 -1.669 19710 1451 1 5 . 1 1 26 26 LEU CB C 26 39.946 39.946 42.256 -2.310 19710 1452 1 5 . 1 1 26 26 LEU H H 26 7.788 7.788 8.214 -0.426 19710 1453 1 5 . 1 1 27 27 ILE N N 27 130.050 130.050 126.969 3.081 19710 1454 1 5 . 1 1 27 27 ILE HA H 27 3.604 3.604 4.761 -1.157 19710 1455 1 5 . 1 1 27 27 ILE C C 27 173.398 173.398 174.431 -1.033 19710 1456 1 5 . 1 1 27 27 ILE CA C 27 58.760 58.760 58.421 0.339 19710 1457 1 5 . 1 1 27 27 ILE CB C 27 38.186 38.186 40.181 -1.995 19710 1458 1 5 . 1 1 27 27 ILE H H 27 8.752 8.752 9.214 -0.462 19710 1459 1 5 . 1 1 28 28 ARG N N 28 123.071 123.071 120.724 2.347 19710 1460 1 5 . 1 1 28 28 ARG HA H 28 4.474 4.474 5.076 -0.602 19710 1461 1 5 . 1 1 28 28 ARG C C 28 174.476 174.476 175.387 -0.911 19710 1462 1 5 . 1 1 28 28 ARG CA C 28 52.104 52.104 53.646 -1.542 19710 1463 1 5 . 1 1 28 28 ARG CB C 28 29.007 29.007 33.017 -4.011 19710 1464 1 5 . 1 1 28 28 ARG H H 28 7.453 7.453 8.505 -1.052 19710 1465 1 5 . 1 1 29 29 TRP N N 29 132.787 132.787 123.163 9.624 19710 1466 1 5 . 1 1 29 29 TRP HA H 29 4.731 4.731 5.148 -0.417 19710 1467 1 5 . 1 1 29 29 TRP C C 29 176.623 176.623 174.787 1.836 19710 1468 1 5 . 1 1 29 29 TRP CA C 29 55.653 55.653 54.141 1.512 19710 1469 1 5 . 1 1 29 29 TRP CB C 29 31.065 31.065 30.819 0.246 19710 1470 1 5 . 1 1 29 29 TRP H H 29 9.197 9.197 8.061 1.136 19710 1471 1 5 . 1 1 30 30 LYS N N 30 122.843 122.843 122.925 -0.082 19710 1472 1 5 . 1 1 30 30 LYS HA H 30 4.212 4.212 4.312 -0.100 19710 1473 1 5 . 1 1 30 30 LYS C C 30 177.688 177.688 177.665 0.023 19710 1474 1 5 . 1 1 30 30 LYS CA C 30 58.203 58.203 57.564 0.639 19710 1475 1 5 . 1 1 30 30 LYS CB C 30 33.152 33.152 33.111 0.041 19710 1476 1 5 . 1 1 30 30 LYS H H 30 9.134 9.134 8.706 0.428 19710 1477 1 5 . 1 1 31 31 GLY N N 31 113.057 113.057 113.911 -0.854 19710 1478 1 5 . 1 1 31 31 GLY C C 31 173.562 173.562 174.565 -1.003 19710 1479 1 5 . 1 1 31 31 GLY CA C 31 44.973 44.973 45.346 -0.373 19710 1480 1 5 . 1 1 31 31 GLY H H 31 8.646 8.646 9.090 -0.444 19710 1481 1 5 . 1 1 32 32 TYR N N 32 119.993 119.993 121.492 -1.499 19710 1482 1 5 . 1 1 32 32 TYR HA H 32 4.620 4.620 4.748 -0.128 19710 1483 1 5 . 1 1 32 32 TYR C C 32 175.254 175.254 176.831 -1.577 19710 1484 1 5 . 1 1 32 32 TYR CA C 32 57.742 57.742 58.921 -1.179 19710 1485 1 5 . 1 1 32 32 TYR CB C 32 40.377 40.377 40.159 0.218 19710 1486 1 5 . 1 1 32 32 TYR H H 32 8.119 8.119 7.768 0.351 19710 1487 1 5 . 1 1 33 33 GLY N N 33 106.930 106.930 106.352 0.578 19710 1488 1 5 . 1 1 33 33 GLY CA C 33 44.052 44.052 45.270 -1.218 19710 1489 1 5 . 1 1 33 33 GLY H H 33 8.510 8.510 7.829 0.681 19710 1490 1 5 . 1 1 34 34 SER HA H 34 4.437 4.437 4.374 0.063 19710 1491 1 5 . 1 1 34 34 SER C C 34 176.594 176.594 176.276 0.318 19710 1492 1 5 . 1 1 34 34 SER CA C 34 60.033 60.033 60.566 -0.533 19710 1493 1 5 . 1 1 34 34 SER CB C 34 63.310 63.310 63.217 0.093 19710 1494 1 5 . 1 1 35 35 THR N N 35 113.722 113.722 114.146 -0.424 19710 1495 1 5 . 1 1 35 35 THR HA H 35 4.117 4.117 4.143 -0.026 19710 1496 1 5 . 1 1 35 35 THR C C 35 175.474 175.474 175.557 -0.083 19710 1497 1 5 . 1 1 35 35 THR CA C 35 63.751 63.751 64.328 -0.577 19710 1498 1 5 . 1 1 35 35 THR CB C 35 68.542 68.542 68.957 -0.415 19710 1499 1 5 . 1 1 35 35 THR H H 35 7.788 7.788 8.274 -0.486 19710 1500 1 5 . 1 1 36 36 GLU N N 36 120.073 120.073 120.722 -0.649 19710 1501 1 5 . 1 1 36 36 GLU HA H 36 4.386 4.386 4.024 0.362 19710 1502 1 5 . 1 1 36 36 GLU C C 36 175.013 175.013 176.015 -1.002 19710 1503 1 5 . 1 1 36 36 GLU CA C 36 55.865 55.865 57.255 -1.390 19710 1504 1 5 . 1 1 36 36 GLU CB C 36 29.794 29.794 29.715 0.079 19710 1505 1 5 . 1 1 36 36 GLU H H 36 7.825 7.825 7.464 0.361 19710 1506 1 5 . 1 1 37 37 ASP N N 37 121.647 121.647 119.942 1.705 19710 1507 1 5 . 1 1 37 37 ASP HA H 37 5.075 5.075 4.410 0.665 19710 1508 1 5 . 1 1 37 37 ASP C C 37 178.071 178.071 175.982 2.089 19710 1509 1 5 . 1 1 37 37 ASP CA C 37 55.606 55.606 55.383 0.223 19710 1510 1 5 . 1 1 37 37 ASP CB C 37 39.712 39.712 39.716 -0.004 19710 1511 1 5 . 1 1 37 37 ASP H H 37 7.386 7.386 7.886 -0.500 19710 1512 1 5 . 1 1 38 38 THR N N 38 111.963 111.963 115.030 -3.067 19710 1513 1 5 . 1 1 38 38 THR HA H 38 4.675 4.675 4.212 0.463 19710 1514 1 5 . 1 1 38 38 THR C C 38 173.399 173.399 173.432 -0.033 19710 1515 1 5 . 1 1 38 38 THR CA C 38 59.483 59.483 60.364 -0.881 19710 1516 1 5 . 1 1 38 38 THR CB C 38 71.810 71.810 70.441 1.369 19710 1517 1 5 . 1 1 38 38 THR H H 38 7.821 7.821 8.305 -0.484 19710 1518 1 5 . 1 1 39 39 TRP N N 39 123.340 123.340 125.404 -2.064 19710 1519 1 5 . 1 1 39 39 TRP HA H 39 4.835 4.835 5.340 -0.505 19710 1520 1 5 . 1 1 39 39 TRP C C 39 177.090 177.090 175.046 2.044 19710 1521 1 5 . 1 1 39 39 TRP CA C 39 56.443 56.443 54.355 2.088 19710 1522 1 5 . 1 1 39 39 TRP CB C 39 29.574 29.574 29.114 0.459 19710 1523 1 5 . 1 1 39 39 TRP H H 39 8.546 8.546 7.718 0.828 19710 1524 1 5 . 1 1 40 40 GLU N N 40 124.822 124.822 123.864 0.958 19710 1525 1 5 . 1 1 40 40 GLU HA H 40 5.196 5.196 4.889 0.307 19710 1526 1 5 . 1 1 40 40 GLU CA C 40 51.859 51.859 53.032 -1.173 19710 1527 1 5 . 1 1 40 40 GLU CB C 40 31.934 31.934 31.116 0.818 19710 1528 1 5 . 1 1 40 40 GLU H H 40 9.710 9.710 8.590 1.120 19710 1529 1 5 . 1 1 41 41 PRO HA H 41 4.783 4.783 4.888 -0.105 19710 1530 1 5 . 1 1 41 41 PRO C C 41 178.201 178.201 178.382 -0.181 19710 1531 1 5 . 1 1 41 41 PRO CA C 41 62.030 62.030 62.661 -0.631 19710 1532 1 5 . 1 1 41 41 PRO CB C 41 32.833 32.833 33.082 -0.249 19710 1533 1 5 . 1 1 42 42 GLU N N 42 118.959 118.959 121.038 -2.079 19710 1534 1 5 . 1 1 42 42 GLU HA H 42 3.984 3.984 3.887 0.097 19710 1535 1 5 . 1 1 42 42 GLU C C 42 177.841 177.841 178.513 -0.672 19710 1536 1 5 . 1 1 42 42 GLU CA C 42 60.156 60.156 59.774 0.382 19710 1537 1 5 . 1 1 42 42 GLU CB C 42 30.554 30.554 29.762 0.792 19710 1538 1 5 . 1 1 42 42 GLU H H 42 8.531 8.531 8.532 -0.001 19710 1539 1 5 . 1 1 43 43 HIS N N 43 113.679 113.679 115.957 -2.278 19710 1540 1 5 . 1 1 43 43 HIS HA H 43 4.592 4.592 4.256 0.336 19710 1541 1 5 . 1 1 43 43 HIS C C 43 176.547 176.547 174.908 1.639 19710 1542 1 5 . 1 1 43 43 HIS CA C 43 58.187 58.187 57.995 0.192 19710 1543 1 5 . 1 1 43 43 HIS CB C 43 29.362 29.362 29.359 0.003 19710 1544 1 5 . 1 1 43 43 HIS H H 43 7.998 7.998 8.522 -0.524 19710 1545 1 5 . 1 1 44 44 HIS N N 44 119.428 119.428 114.361 5.067 19710 1546 1 5 . 1 1 44 44 HIS HA H 44 4.886 4.886 4.603 0.283 19710 1547 1 5 . 1 1 44 44 HIS C C 44 175.566 175.566 175.123 0.443 19710 1548 1 5 . 1 1 44 44 HIS CA C 44 55.392 55.392 54.326 1.066 19710 1549 1 5 . 1 1 44 44 HIS CB C 44 30.049 30.049 31.587 -1.538 19710 1550 1 5 . 1 1 44 44 HIS H H 44 7.755 7.755 7.591 0.164 19710 1551 1 5 . 1 1 45 45 LEU N N 45 119.789 119.789 118.761 1.028 19710 1552 1 5 . 1 1 45 45 LEU HA H 45 4.580 4.580 4.273 0.307 19710 1553 1 5 . 1 1 45 45 LEU C C 45 176.926 176.926 175.738 1.188 19710 1554 1 5 . 1 1 45 45 LEU CA C 45 53.930 53.930 56.645 -2.716 19710 1555 1 5 . 1 1 45 45 LEU CB C 45 42.010 42.010 43.321 -1.311 19710 1556 1 5 . 1 1 45 45 LEU H H 45 7.601 7.601 7.298 0.303 19710 1557 1 5 . 1 1 46 46 LEU N N 46 121.462 121.462 114.127 7.335 19710 1558 1 5 . 1 1 46 46 LEU HA H 46 4.100 4.100 4.287 -0.187 19710 1559 1 5 . 1 1 46 46 LEU CA C 46 56.925 56.925 54.326 2.599 19710 1560 1 5 . 1 1 46 46 LEU CB C 46 41.703 41.703 43.627 -1.925 19710 1561 1 5 . 1 1 46 46 LEU H H 46 7.696 7.696 7.407 0.289 19710 1562 1 5 . 1 1 47 47 HIS HA H 47 4.742 4.742 4.684 0.058 19710 1563 1 5 . 1 1 47 47 HIS C C 47 175.940 175.940 175.028 0.912 19710 1564 1 5 . 1 1 47 47 HIS CA C 47 56.483 56.483 56.326 0.157 19710 1565 1 5 . 1 1 47 47 HIS CB C 47 29.209 29.209 30.932 -1.723 19710 1566 1 5 . 1 1 48 48 CYS N N 48 118.214 118.214 122.086 -3.872 19710 1567 1 5 . 1 1 48 48 CYS HA H 48 4.902 4.902 4.566 0.336 19710 1568 1 5 . 1 1 48 48 CYS C C 48 174.988 174.988 175.913 -0.925 19710 1569 1 5 . 1 1 48 48 CYS CA C 48 57.439 57.439 58.704 -1.265 19710 1570 1 5 . 1 1 48 48 CYS CB C 48 28.038 28.038 26.242 1.796 19710 1571 1 5 . 1 1 48 48 CYS H H 48 7.823 7.823 8.320 -0.497 19710 1572 1 5 . 1 1 49 49 GLU N N 49 122.478 122.478 126.738 -4.260 19710 1573 1 5 . 1 1 49 49 GLU HA H 49 3.718 3.718 4.039 -0.321 19710 1574 1 5 . 1 1 49 49 GLU C C 49 177.607 177.607 177.387 0.220 19710 1575 1 5 . 1 1 49 49 GLU CA C 49 60.496 60.496 59.209 1.287 19710 1576 1 5 . 1 1 49 49 GLU CB C 49 29.391 29.391 29.868 -0.477 19710 1577 1 5 . 1 1 49 49 GLU H H 49 8.524 8.524 8.955 -0.431 19710 1578 1 5 . 1 1 50 50 GLU N N 50 118.424 118.424 118.390 0.034 19710 1579 1 5 . 1 1 50 50 GLU HA H 50 4.035 4.035 4.077 -0.042 19710 1580 1 5 . 1 1 50 50 GLU C C 50 178.942 178.942 178.744 0.198 19710 1581 1 5 . 1 1 50 50 GLU CA C 50 59.341 59.341 58.994 0.347 19710 1582 1 5 . 1 1 50 50 GLU CB C 50 28.492 28.492 28.763 -0.271 19710 1583 1 5 . 1 1 50 50 GLU H H 50 9.192 9.192 8.848 0.344 19710 1584 1 5 . 1 1 51 51 PHE N N 51 117.631 117.631 118.508 -0.877 19710 1585 1 5 . 1 1 51 51 PHE HA H 51 4.345 4.345 4.305 0.040 19710 1586 1 5 . 1 1 51 51 PHE C C 51 179.013 179.013 177.908 1.105 19710 1587 1 5 . 1 1 51 51 PHE CA C 51 59.916 59.916 61.381 -1.465 19710 1588 1 5 . 1 1 51 51 PHE CB C 51 38.425 38.425 38.828 -0.403 19710 1589 1 5 . 1 1 51 51 PHE H H 51 7.350 7.350 7.633 -0.283 19710 1590 1 5 . 1 1 52 52 ILE N N 52 123.512 123.512 119.704 3.808 19710 1591 1 5 . 1 1 52 52 ILE HA H 52 3.260 3.260 3.801 -0.541 19710 1592 1 5 . 1 1 52 52 ILE C C 52 177.036 177.036 177.808 -0.772 19710 1593 1 5 . 1 1 52 52 ILE CA C 52 65.356 65.356 64.891 0.465 19710 1594 1 5 . 1 1 52 52 ILE CB C 52 38.172 38.172 37.491 0.681 19710 1595 1 5 . 1 1 52 52 ILE H H 52 7.625 7.625 7.704 -0.079 19710 1596 1 5 . 1 1 53 53 ASP N N 53 120.257 120.257 119.854 0.403 19710 1597 1 5 . 1 1 53 53 ASP HA H 53 4.302 4.302 4.370 -0.068 19710 1598 1 5 . 1 1 53 53 ASP C C 53 179.243 179.243 178.502 0.741 19710 1599 1 5 . 1 1 53 53 ASP CA C 53 57.343 57.343 57.727 -0.384 19710 1600 1 5 . 1 1 53 53 ASP CB C 53 40.085 40.085 40.963 -0.878 19710 1601 1 5 . 1 1 53 53 ASP H H 53 8.144 8.144 8.097 0.047 19710 1602 1 5 . 1 1 54 54 GLU N N 54 119.707 119.707 119.943 -0.236 19710 1603 1 5 . 1 1 54 54 GLU HA H 54 3.944 3.944 4.047 -0.103 19710 1604 1 5 . 1 1 54 54 GLU C C 54 178.652 178.652 178.612 0.040 19710 1605 1 5 . 1 1 54 54 GLU CA C 54 59.071 59.071 59.034 0.037 19710 1606 1 5 . 1 1 54 54 GLU CB C 54 29.765 29.765 29.628 0.137 19710 1607 1 5 . 1 1 54 54 GLU H H 54 7.875 7.875 7.862 0.013 19710 1608 1 5 . 1 1 55 55 PHE N N 55 120.573 120.573 120.841 -0.268 19710 1609 1 5 . 1 1 55 55 PHE HA H 55 4.138 4.138 4.273 -0.135 19710 1610 1 5 . 1 1 55 55 PHE C C 55 177.460 177.460 177.139 0.321 19710 1611 1 5 . 1 1 55 55 PHE CA C 55 61.425 61.425 60.868 0.557 19710 1612 1 5 . 1 1 55 55 PHE CB C 55 39.347 39.347 39.064 0.283 19710 1613 1 5 . 1 1 55 55 PHE H H 55 7.784 7.784 8.354 -0.570 19710 1614 1 5 . 1 1 56 56 ASN N N 56 117.284 117.284 117.891 -0.607 19710 1615 1 5 . 1 1 56 56 ASN HA H 56 4.349 4.349 4.181 0.168 19710 1616 1 5 . 1 1 56 56 ASN C C 56 177.227 177.227 177.672 -0.445 19710 1617 1 5 . 1 1 56 56 ASN CA C 56 54.592 54.592 55.459 -0.867 19710 1618 1 5 . 1 1 56 56 ASN CB C 56 37.947 37.947 38.163 -0.216 19710 1619 1 5 . 1 1 56 56 ASN H H 56 8.563 8.563 7.996 0.567 19710 1620 1 5 . 1 1 57 57 GLY N N 57 107.640 107.640 107.755 -0.115 19710 1621 1 5 . 1 1 57 57 GLY C C 57 174.906 174.906 175.691 -0.785 19710 1622 1 5 . 1 1 57 57 GLY CA C 57 46.079 46.079 47.182 -1.103 19710 1623 1 5 . 1 1 57 57 GLY H H 57 7.890 7.890 7.722 0.168 19710 1624 1 5 . 1 1 58 58 LEU N N 58 120.735 120.735 115.937 4.798 19710 1625 1 5 . 1 1 58 58 LEU HA H 58 4.110 4.110 4.329 -0.219 19710 1626 1 5 . 1 1 58 58 LEU C C 58 177.607 177.607 177.792 -0.185 19710 1627 1 5 . 1 1 58 58 LEU CA C 58 55.836 55.836 56.661 -0.825 19710 1628 1 5 . 1 1 58 58 LEU CB C 58 42.340 42.340 41.419 0.921 19710 1629 1 5 . 1 1 58 58 LEU H H 58 7.528 7.528 7.629 -0.101 19710 1630 1 5 . 1 1 59 59 HIS N N 59 118.359 118.359 116.286 2.073 19710 1631 1 5 . 1 1 59 59 HIS HA H 59 4.417 4.417 4.499 -0.082 19710 1632 1 5 . 1 1 59 59 HIS C C 59 175.499 175.499 174.859 0.640 19710 1633 1 5 . 1 1 59 59 HIS CA C 59 56.604 56.604 56.913 -0.309 19710 1634 1 5 . 1 1 59 59 HIS CB C 59 30.480 30.480 31.984 -1.504 19710 1635 1 5 . 1 1 59 59 HIS H H 59 7.875 7.875 8.161 -0.286 19710 1636 1 5 . 1 1 60 60 MET N N 60 120.255 120.255 117.061 3.194 19710 1637 1 5 . 1 1 60 60 MET HA H 60 4.365 4.365 4.620 -0.255 19710 1638 1 5 . 1 1 60 60 MET CA C 60 55.643 55.643 55.308 0.335 19710 1639 1 5 . 1 1 60 60 MET CB C 60 32.684 32.684 34.782 -2.098 19710 1640 1 5 . 1 1 60 60 MET H H 60 7.884 7.884 7.594 0.290 19710 1641 1 5 . 1 1 62 62 LYS HA H 62 4.301 4.301 4.382 -0.081 19710 1642 1 5 . 1 1 62 62 LYS C C 62 176.168 176.168 176.429 -0.261 19710 1643 1 5 . 1 1 62 62 LYS CA C 62 56.312 56.312 55.862 0.450 19710 1644 1 5 . 1 1 62 62 LYS CB C 62 32.975 32.975 32.410 0.565 19710 1645 1 5 . 1 1 63 63 ASP N N 63 121.259 121.259 126.059 -4.800 19710 1646 1 5 . 1 1 63 63 ASP HA H 63 4.540 4.540 4.682 -0.142 19710 1647 1 5 . 1 1 63 63 ASP C C 63 175.024 175.024 175.840 -0.816 19710 1648 1 5 . 1 1 63 63 ASP CA C 63 54.569 54.569 54.172 0.397 19710 1649 1 5 . 1 1 63 63 ASP CB C 63 41.120 41.120 41.145 -0.025 19710 1650 1 5 . 1 1 63 63 ASP H H 63 8.263 8.263 8.416 -0.153 19710 1651 1 6 . 1 1 2 2 ALA HA H 2 4.257 4.257 4.806 -0.549 19710 1652 1 6 . 1 1 2 2 ALA CA C 2 52.527 52.527 52.006 0.521 19710 1653 1 6 . 1 1 2 2 ALA CB C 2 19.363 19.363 20.639 -1.276 19710 1654 1 6 . 1 1 4 4 GLY C C 4 173.756 173.756 173.622 0.134 19710 1655 1 6 . 1 1 4 4 GLY CA C 4 45.291 45.291 44.808 0.483 19710 1656 1 6 . 1 1 5 5 ASP N N 5 120.203 120.203 125.075 -4.872 19710 1657 1 6 . 1 1 5 5 ASP HA H 5 4.451 4.451 4.879 -0.428 19710 1658 1 6 . 1 1 5 5 ASP C C 5 175.671 175.671 175.306 0.365 19710 1659 1 6 . 1 1 5 5 ASP CA C 5 54.422 54.422 54.170 0.252 19710 1660 1 6 . 1 1 5 5 ASP CB C 5 41.179 41.179 40.070 1.109 19710 1661 1 6 . 1 1 5 5 ASP H H 5 8.028 8.028 8.544 -0.516 19710 1662 1 6 . 1 1 6 6 LEU N N 6 121.200 121.200 121.663 -0.463 19710 1663 1 6 . 1 1 6 6 LEU HA H 6 4.135 4.135 4.115 0.020 19710 1664 1 6 . 1 1 6 6 LEU C C 6 176.638 176.638 175.847 0.791 19710 1665 1 6 . 1 1 6 6 LEU CA C 6 55.097 55.097 53.983 1.114 19710 1666 1 6 . 1 1 6 6 LEU CB C 6 42.364 42.364 42.344 0.019 19710 1667 1 6 . 1 1 6 6 LEU H H 6 7.873 7.873 7.243 0.630 19710 1668 1 6 . 1 1 7 7 TYR N N 7 121.938 121.938 120.768 1.170 19710 1669 1 6 . 1 1 7 7 TYR HA H 7 4.631 4.631 4.374 0.257 19710 1670 1 6 . 1 1 7 7 TYR C C 7 175.047 175.047 176.390 -1.343 19710 1671 1 6 . 1 1 7 7 TYR CA C 7 57.261 57.261 60.460 -3.199 19710 1672 1 6 . 1 1 7 7 TYR CB C 7 38.921 38.921 39.340 -0.418 19710 1673 1 6 . 1 1 7 7 TYR H H 7 8.011 8.011 8.503 -0.492 19710 1674 1 6 . 1 1 8 8 GLU N N 8 122.393 122.393 117.960 4.433 19710 1675 1 6 . 1 1 8 8 GLU HA H 8 4.769 4.769 4.471 0.298 19710 1676 1 6 . 1 1 8 8 GLU C C 8 175.583 175.583 174.654 0.929 19710 1677 1 6 . 1 1 8 8 GLU CA C 8 54.988 54.988 55.350 -0.362 19710 1678 1 6 . 1 1 8 8 GLU CB C 8 32.551 32.551 32.339 0.212 19710 1679 1 6 . 1 1 8 8 GLU H H 8 9.047 9.047 8.465 0.582 19710 1680 1 6 . 1 1 9 9 VAL N N 9 126.546 126.546 122.656 3.890 19710 1681 1 6 . 1 1 9 9 VAL HA H 9 3.092 3.092 4.099 -1.007 19710 1682 1 6 . 1 1 9 9 VAL C C 9 175.170 175.170 175.147 0.023 19710 1683 1 6 . 1 1 9 9 VAL CA C 9 64.309 64.309 60.697 3.612 19710 1684 1 6 . 1 1 9 9 VAL CB C 9 32.983 32.983 32.857 0.126 19710 1685 1 6 . 1 1 9 9 VAL H H 9 8.677 8.677 8.254 0.423 19710 1686 1 6 . 1 1 10 10 GLU N N 10 126.674 126.674 127.812 -1.138 19710 1687 1 6 . 1 1 10 10 GLU HA H 10 4.234 4.234 4.374 -0.140 19710 1688 1 6 . 1 1 10 10 GLU C C 10 175.505 175.505 176.803 -1.298 19710 1689 1 6 . 1 1 10 10 GLU CA C 10 57.459 57.459 58.655 -1.196 19710 1690 1 6 . 1 1 10 10 GLU CB C 10 31.296 31.296 31.227 0.069 19710 1691 1 6 . 1 1 10 10 GLU H H 10 9.120 9.120 8.693 0.427 19710 1692 1 6 . 1 1 11 11 ARG N N 11 111.321 111.321 112.604 -1.283 19710 1693 1 6 . 1 1 11 11 ARG HA H 11 4.115 4.115 4.723 -0.608 19710 1694 1 6 . 1 1 11 11 ARG C C 11 172.330 172.330 174.154 -1.824 19710 1695 1 6 . 1 1 11 11 ARG CA C 11 54.723 54.723 55.163 -0.440 19710 1696 1 6 . 1 1 11 11 ARG CB C 11 32.309 32.309 31.503 0.806 19710 1697 1 6 . 1 1 11 11 ARG H H 11 7.476 7.476 7.823 -0.347 19710 1698 1 6 . 1 1 12 12 ILE N N 12 120.610 120.610 120.490 0.120 19710 1699 1 6 . 1 1 12 12 ILE HA H 12 4.085 4.085 4.243 -0.158 19710 1700 1 6 . 1 1 12 12 ILE C C 12 175.353 175.353 176.629 -1.276 19710 1701 1 6 . 1 1 12 12 ILE CA C 12 60.515 60.515 62.018 -1.503 19710 1702 1 6 . 1 1 12 12 ILE CB C 12 38.338 38.338 37.643 0.695 19710 1703 1 6 . 1 1 12 12 ILE H H 12 8.295 8.295 8.769 -0.474 19710 1704 1 6 . 1 1 13 13 VAL N N 13 122.026 122.026 127.359 -5.333 19710 1705 1 6 . 1 1 13 13 VAL HA H 13 4.047 4.047 3.978 0.069 19710 1706 1 6 . 1 1 13 13 VAL C C 13 175.311 175.311 176.301 -0.990 19710 1707 1 6 . 1 1 13 13 VAL CA C 13 62.460 62.460 64.393 -1.933 19710 1708 1 6 . 1 1 13 13 VAL CB C 13 33.344 33.344 32.418 0.926 19710 1709 1 6 . 1 1 13 13 VAL H H 13 8.939 8.939 8.763 0.176 19710 1710 1 6 . 1 1 14 14 ASP N N 14 117.407 117.407 114.618 2.789 19710 1711 1 6 . 1 1 14 14 ASP HA H 14 4.776 4.776 5.114 -0.338 19710 1712 1 6 . 1 1 14 14 ASP C C 14 173.374 173.374 173.640 -0.266 19710 1713 1 6 . 1 1 14 14 ASP CA C 14 53.034 53.034 53.315 -0.280 19710 1714 1 6 . 1 1 14 14 ASP CB C 14 43.749 43.749 43.397 0.352 19710 1715 1 6 . 1 1 14 14 ASP H H 14 7.236 7.236 7.850 -0.614 19710 1716 1 6 . 1 1 15 15 LYS N N 15 118.628 118.628 119.045 -0.417 19710 1717 1 6 . 1 1 15 15 LYS HA H 15 5.517 5.517 4.406 1.111 19710 1718 1 6 . 1 1 15 15 LYS C C 15 173.885 173.885 174.930 -1.045 19710 1719 1 6 . 1 1 15 15 LYS CA C 15 55.716 55.716 54.914 0.801 19710 1720 1 6 . 1 1 15 15 LYS CB C 15 37.575 37.575 34.535 3.040 19710 1721 1 6 . 1 1 15 15 LYS H H 15 9.430 9.430 8.428 1.002 19710 1722 1 6 . 1 1 16 16 ARG N N 16 120.175 120.175 118.097 2.078 19710 1723 1 6 . 1 1 16 16 ARG HA H 16 4.872 4.872 4.529 0.343 19710 1724 1 6 . 1 1 16 16 ARG C C 16 172.365 172.365 173.882 -1.517 19710 1725 1 6 . 1 1 16 16 ARG CA C 16 54.680 54.680 54.920 -0.240 19710 1726 1 6 . 1 1 16 16 ARG CB C 16 32.460 32.460 32.785 -0.325 19710 1727 1 6 . 1 1 16 16 ARG H H 16 9.326 9.326 8.355 0.971 19710 1728 1 6 . 1 1 17 17 LYS N N 17 122.374 122.374 120.472 1.902 19710 1729 1 6 . 1 1 17 17 LYS HA H 17 4.306 4.306 4.680 -0.374 19710 1730 1 6 . 1 1 17 17 LYS C C 17 176.978 176.978 176.526 0.452 19710 1731 1 6 . 1 1 17 17 LYS CA C 17 54.557 54.557 54.429 0.128 19710 1732 1 6 . 1 1 17 17 LYS CB C 17 33.310 33.310 33.554 -0.244 19710 1733 1 6 . 1 1 17 17 LYS H H 17 8.480 8.480 8.329 0.151 19710 1734 1 6 . 1 1 18 18 ASN N N 18 123.092 123.092 124.597 -1.505 19710 1735 1 6 . 1 1 18 18 ASN HA H 18 4.482 4.482 4.557 -0.075 19710 1736 1 6 . 1 1 18 18 ASN CA C 18 50.611 50.611 54.106 -3.495 19710 1737 1 6 . 1 1 18 18 ASN CB C 18 39.055 39.055 40.223 -1.168 19710 1738 1 6 . 1 1 18 18 ASN H H 18 8.736 8.736 8.373 0.363 19710 1739 1 6 . 1 1 19 19 LYS HA H 19 3.939 3.939 4.030 -0.091 19710 1740 1 6 . 1 1 19 19 LYS C C 19 177.548 177.548 177.754 -0.206 19710 1741 1 6 . 1 1 19 19 LYS CA C 19 58.543 58.543 58.531 0.012 19710 1742 1 6 . 1 1 19 19 LYS CB C 19 31.933 31.933 32.145 -0.212 19710 1743 1 6 . 1 1 20 20 LYS N N 20 117.362 117.362 118.656 -1.294 19710 1744 1 6 . 1 1 20 20 LYS HA H 20 4.262 4.262 4.185 0.077 19710 1745 1 6 . 1 1 20 20 LYS C C 20 176.514 176.514 176.524 -0.010 19710 1746 1 6 . 1 1 20 20 LYS CA C 20 55.489 55.489 56.277 -0.788 19710 1747 1 6 . 1 1 20 20 LYS CB C 20 32.105 32.105 33.116 -1.011 19710 1748 1 6 . 1 1 20 20 LYS H H 20 7.491 7.491 8.123 -0.632 19710 1749 1 6 . 1 1 21 21 GLY N N 21 107.275 107.275 107.634 -0.359 19710 1750 1 6 . 1 1 21 21 GLY C C 21 173.503 173.503 173.583 -0.080 19710 1751 1 6 . 1 1 21 21 GLY CA C 21 45.413 45.413 44.923 0.490 19710 1752 1 6 . 1 1 21 21 GLY H H 21 7.966 7.966 7.621 0.345 19710 1753 1 6 . 1 1 22 22 LYS N N 22 119.753 119.753 118.506 1.247 19710 1754 1 6 . 1 1 22 22 LYS HA H 22 4.380 4.380 4.441 -0.061 19710 1755 1 6 . 1 1 22 22 LYS C C 22 175.319 175.319 176.227 -0.908 19710 1756 1 6 . 1 1 22 22 LYS CA C 22 53.197 53.197 54.232 -1.035 19710 1757 1 6 . 1 1 22 22 LYS CB C 22 33.531 33.531 33.669 -0.138 19710 1758 1 6 . 1 1 22 22 LYS H H 22 7.457 7.457 7.767 -0.310 19710 1759 1 6 . 1 1 23 23 TRP N N 23 120.227 120.227 121.505 -1.278 19710 1760 1 6 . 1 1 23 23 TRP HA H 23 4.837 4.837 4.527 0.310 19710 1761 1 6 . 1 1 23 23 TRP C C 23 176.246 176.246 176.277 -0.031 19710 1762 1 6 . 1 1 23 23 TRP CA C 23 57.338 57.338 57.965 -0.627 19710 1763 1 6 . 1 1 23 23 TRP CB C 23 31.142 31.142 29.010 2.132 19710 1764 1 6 . 1 1 23 23 TRP H H 23 8.564 8.564 8.733 -0.169 19710 1765 1 6 . 1 1 24 24 GLU N N 24 120.044 120.044 121.283 -1.239 19710 1766 1 6 . 1 1 24 24 GLU HA H 24 4.921 4.921 4.842 0.079 19710 1767 1 6 . 1 1 24 24 GLU C C 24 174.505 174.505 175.230 -0.725 19710 1768 1 6 . 1 1 24 24 GLU CA C 24 54.223 54.223 55.151 -0.928 19710 1769 1 6 . 1 1 24 24 GLU CB C 24 33.711 33.711 34.894 -1.183 19710 1770 1 6 . 1 1 24 24 GLU H H 24 9.257 9.257 8.484 0.773 19710 1771 1 6 . 1 1 25 25 TYR N N 25 118.993 118.993 119.419 -0.426 19710 1772 1 6 . 1 1 25 25 TYR HA H 25 5.017 5.017 4.719 0.298 19710 1773 1 6 . 1 1 25 25 TYR C C 25 173.068 173.068 174.402 -1.334 19710 1774 1 6 . 1 1 25 25 TYR CA C 25 57.173 57.173 57.130 0.043 19710 1775 1 6 . 1 1 25 25 TYR CB C 25 41.873 41.873 41.881 -0.008 19710 1776 1 6 . 1 1 25 25 TYR H H 25 9.119 9.119 9.048 0.071 19710 1777 1 6 . 1 1 26 26 LEU N N 26 128.028 128.028 124.499 3.529 19710 1778 1 6 . 1 1 26 26 LEU HA H 26 3.632 3.632 4.620 -0.988 19710 1779 1 6 . 1 1 26 26 LEU C C 26 173.813 173.813 175.342 -1.529 19710 1780 1 6 . 1 1 26 26 LEU CA C 26 53.371 53.371 55.411 -2.040 19710 1781 1 6 . 1 1 26 26 LEU CB C 26 39.946 39.946 42.697 -2.751 19710 1782 1 6 . 1 1 26 26 LEU H H 26 7.788 7.788 8.360 -0.572 19710 1783 1 6 . 1 1 27 27 ILE N N 27 130.050 130.050 125.289 4.761 19710 1784 1 6 . 1 1 27 27 ILE HA H 27 3.604 3.604 4.779 -1.175 19710 1785 1 6 . 1 1 27 27 ILE C C 27 173.398 173.398 174.963 -1.565 19710 1786 1 6 . 1 1 27 27 ILE CA C 27 58.760 58.760 58.591 0.169 19710 1787 1 6 . 1 1 27 27 ILE CB C 27 38.186 38.186 40.305 -2.119 19710 1788 1 6 . 1 1 27 27 ILE H H 27 8.752 8.752 9.136 -0.384 19710 1789 1 6 . 1 1 28 28 ARG N N 28 123.071 123.071 124.075 -1.004 19710 1790 1 6 . 1 1 28 28 ARG HA H 28 4.474 4.474 4.932 -0.458 19710 1791 1 6 . 1 1 28 28 ARG C C 28 174.476 174.476 175.024 -0.548 19710 1792 1 6 . 1 1 28 28 ARG CA C 28 52.104 52.104 55.221 -3.117 19710 1793 1 6 . 1 1 28 28 ARG CB C 28 29.007 29.007 31.974 -2.967 19710 1794 1 6 . 1 1 28 28 ARG H H 28 7.453 7.453 8.381 -0.928 19710 1795 1 6 . 1 1 29 29 TRP N N 29 132.787 132.787 122.384 10.403 19710 1796 1 6 . 1 1 29 29 TRP HA H 29 4.731 4.731 5.070 -0.339 19710 1797 1 6 . 1 1 29 29 TRP C C 29 176.623 176.623 176.064 0.559 19710 1798 1 6 . 1 1 29 29 TRP CA C 29 55.653 55.653 54.140 1.513 19710 1799 1 6 . 1 1 29 29 TRP CB C 29 31.065 31.065 30.411 0.654 19710 1800 1 6 . 1 1 29 29 TRP H H 29 9.197 9.197 8.964 0.233 19710 1801 1 6 . 1 1 30 30 LYS N N 30 122.843 122.843 122.686 0.157 19710 1802 1 6 . 1 1 30 30 LYS HA H 30 4.212 4.212 4.332 -0.120 19710 1803 1 6 . 1 1 30 30 LYS C C 30 177.688 177.688 177.628 0.060 19710 1804 1 6 . 1 1 30 30 LYS CA C 30 58.203 58.203 57.049 1.154 19710 1805 1 6 . 1 1 30 30 LYS CB C 30 33.152 33.152 33.285 -0.133 19710 1806 1 6 . 1 1 30 30 LYS H H 30 9.134 9.134 8.465 0.669 19710 1807 1 6 . 1 1 31 31 GLY N N 31 113.057 113.057 112.324 0.733 19710 1808 1 6 . 1 1 31 31 GLY C C 31 173.562 173.562 174.873 -1.311 19710 1809 1 6 . 1 1 31 31 GLY CA C 31 44.973 44.973 45.666 -0.693 19710 1810 1 6 . 1 1 31 31 GLY H H 31 8.646 8.646 8.915 -0.269 19710 1811 1 6 . 1 1 32 32 TYR N N 32 119.993 119.993 121.252 -1.259 19710 1812 1 6 . 1 1 32 32 TYR HA H 32 4.620 4.620 4.680 -0.060 19710 1813 1 6 . 1 1 32 32 TYR C C 32 175.254 175.254 176.162 -0.908 19710 1814 1 6 . 1 1 32 32 TYR CA C 32 57.742 57.742 58.812 -1.071 19710 1815 1 6 . 1 1 32 32 TYR CB C 32 40.377 40.377 39.877 0.500 19710 1816 1 6 . 1 1 32 32 TYR H H 32 8.119 8.119 7.619 0.500 19710 1817 1 6 . 1 1 33 33 GLY N N 33 106.930 106.930 107.784 -0.854 19710 1818 1 6 . 1 1 33 33 GLY CA C 33 44.052 44.052 44.735 -0.683 19710 1819 1 6 . 1 1 33 33 GLY H H 33 8.510 8.510 7.817 0.693 19710 1820 1 6 . 1 1 34 34 SER HA H 34 4.437 4.437 4.385 0.052 19710 1821 1 6 . 1 1 34 34 SER C C 34 176.594 176.594 176.260 0.334 19710 1822 1 6 . 1 1 34 34 SER CA C 34 60.033 60.033 60.535 -0.502 19710 1823 1 6 . 1 1 34 34 SER CB C 34 63.310 63.310 62.989 0.321 19710 1824 1 6 . 1 1 35 35 THR N N 35 113.722 113.722 116.080 -2.358 19710 1825 1 6 . 1 1 35 35 THR HA H 35 4.117 4.117 4.239 -0.122 19710 1826 1 6 . 1 1 35 35 THR C C 35 175.474 175.474 175.474 0.000 19710 1827 1 6 . 1 1 35 35 THR CA C 35 63.751 63.751 64.004 -0.253 19710 1828 1 6 . 1 1 35 35 THR CB C 35 68.542 68.542 68.293 0.249 19710 1829 1 6 . 1 1 35 35 THR H H 35 7.788 7.788 8.189 -0.401 19710 1830 1 6 . 1 1 36 36 GLU N N 36 120.073 120.073 121.479 -1.406 19710 1831 1 6 . 1 1 36 36 GLU HA H 36 4.386 4.386 4.123 0.263 19710 1832 1 6 . 1 1 36 36 GLU C C 36 175.013 175.013 176.160 -1.147 19710 1833 1 6 . 1 1 36 36 GLU CA C 36 55.865 55.865 56.452 -0.587 19710 1834 1 6 . 1 1 36 36 GLU CB C 36 29.794 29.794 29.913 -0.118 19710 1835 1 6 . 1 1 36 36 GLU H H 36 7.825 7.825 7.756 0.069 19710 1836 1 6 . 1 1 37 37 ASP N N 37 121.647 121.647 120.507 1.140 19710 1837 1 6 . 1 1 37 37 ASP HA H 37 5.075 5.075 4.491 0.584 19710 1838 1 6 . 1 1 37 37 ASP C C 37 178.071 178.071 176.336 1.735 19710 1839 1 6 . 1 1 37 37 ASP CA C 37 55.606 55.606 55.295 0.311 19710 1840 1 6 . 1 1 37 37 ASP CB C 37 39.712 39.712 40.302 -0.590 19710 1841 1 6 . 1 1 37 37 ASP H H 37 7.386 7.386 7.687 -0.301 19710 1842 1 6 . 1 1 38 38 THR N N 38 111.963 111.963 118.232 -6.269 19710 1843 1 6 . 1 1 38 38 THR HA H 38 4.675 4.675 4.287 0.388 19710 1844 1 6 . 1 1 38 38 THR C C 38 173.399 173.399 173.712 -0.313 19710 1845 1 6 . 1 1 38 38 THR CA C 38 59.483 59.483 60.302 -0.819 19710 1846 1 6 . 1 1 38 38 THR CB C 38 71.810 71.810 70.905 0.905 19710 1847 1 6 . 1 1 38 38 THR H H 38 7.821 7.821 8.851 -1.030 19710 1848 1 6 . 1 1 39 39 TRP N N 39 123.340 123.340 126.081 -2.741 19710 1849 1 6 . 1 1 39 39 TRP HA H 39 4.835 4.835 5.120 -0.285 19710 1850 1 6 . 1 1 39 39 TRP C C 39 177.090 177.090 175.654 1.436 19710 1851 1 6 . 1 1 39 39 TRP CA C 39 56.443 56.443 54.839 1.604 19710 1852 1 6 . 1 1 39 39 TRP CB C 39 29.574 29.574 28.255 1.319 19710 1853 1 6 . 1 1 39 39 TRP H H 39 8.546 8.546 8.059 0.487 19710 1854 1 6 . 1 1 40 40 GLU N N 40 124.822 124.822 124.113 0.709 19710 1855 1 6 . 1 1 40 40 GLU HA H 40 5.196 5.196 4.714 0.482 19710 1856 1 6 . 1 1 40 40 GLU CA C 40 51.859 51.859 53.346 -1.488 19710 1857 1 6 . 1 1 40 40 GLU CB C 40 31.934 31.934 30.249 1.685 19710 1858 1 6 . 1 1 40 40 GLU H H 40 9.710 9.710 8.262 1.448 19710 1859 1 6 . 1 1 41 41 PRO HA H 41 4.783 4.783 4.668 0.115 19710 1860 1 6 . 1 1 41 41 PRO C C 41 178.201 178.201 178.313 -0.112 19710 1861 1 6 . 1 1 41 41 PRO CA C 41 62.030 62.030 63.119 -1.089 19710 1862 1 6 . 1 1 41 41 PRO CB C 41 32.833 32.833 32.599 0.234 19710 1863 1 6 . 1 1 42 42 GLU N N 42 118.959 118.959 123.551 -4.592 19710 1864 1 6 . 1 1 42 42 GLU HA H 42 3.984 3.984 4.075 -0.091 19710 1865 1 6 . 1 1 42 42 GLU C C 42 177.841 177.841 177.967 -0.126 19710 1866 1 6 . 1 1 42 42 GLU CA C 42 60.156 60.156 60.109 0.047 19710 1867 1 6 . 1 1 42 42 GLU CB C 42 30.554 30.554 29.954 0.600 19710 1868 1 6 . 1 1 42 42 GLU H H 42 8.531 8.531 8.654 -0.123 19710 1869 1 6 . 1 1 43 43 HIS N N 43 113.679 113.679 115.467 -1.788 19710 1870 1 6 . 1 1 43 43 HIS HA H 43 4.592 4.592 4.422 0.170 19710 1871 1 6 . 1 1 43 43 HIS C C 43 176.547 176.547 176.474 0.073 19710 1872 1 6 . 1 1 43 43 HIS CA C 43 58.187 58.187 58.619 -0.432 19710 1873 1 6 . 1 1 43 43 HIS CB C 43 29.362 29.362 29.874 -0.512 19710 1874 1 6 . 1 1 43 43 HIS H H 43 7.998 7.998 8.672 -0.674 19710 1875 1 6 . 1 1 44 44 HIS N N 44 119.428 119.428 114.999 4.429 19710 1876 1 6 . 1 1 44 44 HIS HA H 44 4.886 4.886 4.493 0.393 19710 1877 1 6 . 1 1 44 44 HIS C C 44 175.566 175.566 176.726 -1.160 19710 1878 1 6 . 1 1 44 44 HIS CA C 44 55.392 55.392 56.378 -0.986 19710 1879 1 6 . 1 1 44 44 HIS CB C 44 30.049 30.049 32.582 -2.533 19710 1880 1 6 . 1 1 44 44 HIS H H 44 7.755 7.755 7.897 -0.142 19710 1881 1 6 . 1 1 45 45 LEU N N 45 119.789 119.789 118.733 1.056 19710 1882 1 6 . 1 1 45 45 LEU HA H 45 4.580 4.580 4.196 0.384 19710 1883 1 6 . 1 1 45 45 LEU C C 45 176.926 176.926 176.047 0.879 19710 1884 1 6 . 1 1 45 45 LEU CA C 45 53.930 53.930 57.498 -3.568 19710 1885 1 6 . 1 1 45 45 LEU CB C 45 42.010 42.010 42.666 -0.656 19710 1886 1 6 . 1 1 45 45 LEU H H 45 7.601 7.601 7.860 -0.259 19710 1887 1 6 . 1 1 46 46 LEU N N 46 121.462 121.462 114.307 7.155 19710 1888 1 6 . 1 1 46 46 LEU HA H 46 4.100 4.100 4.186 -0.086 19710 1889 1 6 . 1 1 46 46 LEU CA C 46 56.925 56.925 54.310 2.615 19710 1890 1 6 . 1 1 46 46 LEU CB C 46 41.703 41.703 42.880 -1.177 19710 1891 1 6 . 1 1 46 46 LEU H H 46 7.696 7.696 7.314 0.382 19710 1892 1 6 . 1 1 47 47 HIS HA H 47 4.742 4.742 4.414 0.328 19710 1893 1 6 . 1 1 47 47 HIS C C 47 175.940 175.940 175.396 0.544 19710 1894 1 6 . 1 1 47 47 HIS CA C 47 56.483 56.483 57.336 -0.853 19710 1895 1 6 . 1 1 47 47 HIS CB C 47 29.209 29.209 30.129 -0.920 19710 1896 1 6 . 1 1 48 48 CYS N N 48 118.214 118.214 121.422 -3.208 19710 1897 1 6 . 1 1 48 48 CYS HA H 48 4.902 4.902 4.438 0.464 19710 1898 1 6 . 1 1 48 48 CYS C C 48 174.988 174.988 175.616 -0.628 19710 1899 1 6 . 1 1 48 48 CYS CA C 48 57.439 57.439 59.567 -2.128 19710 1900 1 6 . 1 1 48 48 CYS CB C 48 28.038 28.038 27.973 0.065 19710 1901 1 6 . 1 1 48 48 CYS H H 48 7.823 7.823 8.178 -0.355 19710 1902 1 6 . 1 1 49 49 GLU N N 49 122.478 122.478 127.010 -4.532 19710 1903 1 6 . 1 1 49 49 GLU HA H 49 3.718 3.718 3.922 -0.204 19710 1904 1 6 . 1 1 49 49 GLU C C 49 177.607 177.607 177.519 0.088 19710 1905 1 6 . 1 1 49 49 GLU CA C 49 60.496 60.496 58.793 1.703 19710 1906 1 6 . 1 1 49 49 GLU CB C 49 29.391 29.391 29.353 0.038 19710 1907 1 6 . 1 1 49 49 GLU H H 49 8.524 8.524 8.881 -0.357 19710 1908 1 6 . 1 1 50 50 GLU N N 50 118.424 118.424 118.260 0.164 19710 1909 1 6 . 1 1 50 50 GLU HA H 50 4.035 4.035 4.040 -0.005 19710 1910 1 6 . 1 1 50 50 GLU C C 50 178.942 178.942 178.718 0.224 19710 1911 1 6 . 1 1 50 50 GLU CA C 50 59.341 59.341 59.061 0.280 19710 1912 1 6 . 1 1 50 50 GLU CB C 50 28.492 28.492 28.710 -0.218 19710 1913 1 6 . 1 1 50 50 GLU H H 50 9.192 9.192 8.892 0.300 19710 1914 1 6 . 1 1 51 51 PHE N N 51 117.631 117.631 117.127 0.504 19710 1915 1 6 . 1 1 51 51 PHE HA H 51 4.345 4.345 4.534 -0.189 19710 1916 1 6 . 1 1 51 51 PHE C C 51 179.013 179.013 178.252 0.761 19710 1917 1 6 . 1 1 51 51 PHE CA C 51 59.916 59.916 60.839 -0.923 19710 1918 1 6 . 1 1 51 51 PHE CB C 51 38.425 38.425 38.556 -0.131 19710 1919 1 6 . 1 1 51 51 PHE H H 51 7.350 7.350 7.736 -0.386 19710 1920 1 6 . 1 1 52 52 ILE N N 52 123.512 123.512 119.241 4.271 19710 1921 1 6 . 1 1 52 52 ILE HA H 52 3.260 3.260 3.629 -0.369 19710 1922 1 6 . 1 1 52 52 ILE C C 52 177.036 177.036 177.776 -0.740 19710 1923 1 6 . 1 1 52 52 ILE CA C 52 65.356 65.356 65.028 0.328 19710 1924 1 6 . 1 1 52 52 ILE CB C 52 38.172 38.172 37.415 0.757 19710 1925 1 6 . 1 1 52 52 ILE H H 52 7.625 7.625 7.688 -0.063 19710 1926 1 6 . 1 1 53 53 ASP N N 53 120.257 120.257 120.118 0.139 19710 1927 1 6 . 1 1 53 53 ASP HA H 53 4.302 4.302 4.344 -0.042 19710 1928 1 6 . 1 1 53 53 ASP C C 53 179.243 179.243 178.421 0.822 19710 1929 1 6 . 1 1 53 53 ASP CA C 53 57.343 57.343 57.847 -0.504 19710 1930 1 6 . 1 1 53 53 ASP CB C 53 40.085 40.085 41.018 -0.933 19710 1931 1 6 . 1 1 53 53 ASP H H 53 8.144 8.144 8.086 0.058 19710 1932 1 6 . 1 1 54 54 GLU N N 54 119.707 119.707 119.069 0.638 19710 1933 1 6 . 1 1 54 54 GLU HA H 54 3.944 3.944 4.041 -0.097 19710 1934 1 6 . 1 1 54 54 GLU C C 54 178.652 178.652 178.681 -0.029 19710 1935 1 6 . 1 1 54 54 GLU CA C 54 59.071 59.071 58.617 0.454 19710 1936 1 6 . 1 1 54 54 GLU CB C 54 29.765 29.765 29.031 0.734 19710 1937 1 6 . 1 1 54 54 GLU H H 54 7.875 7.875 7.921 -0.046 19710 1938 1 6 . 1 1 55 55 PHE N N 55 120.573 120.573 122.325 -1.752 19710 1939 1 6 . 1 1 55 55 PHE HA H 55 4.138 4.138 4.276 -0.138 19710 1940 1 6 . 1 1 55 55 PHE C C 55 177.460 177.460 176.958 0.502 19710 1941 1 6 . 1 1 55 55 PHE CA C 55 61.425 61.425 60.581 0.843 19710 1942 1 6 . 1 1 55 55 PHE CB C 55 39.347 39.347 39.221 0.126 19710 1943 1 6 . 1 1 55 55 PHE H H 55 7.784 7.784 8.134 -0.350 19710 1944 1 6 . 1 1 56 56 ASN N N 56 117.284 117.284 116.859 0.425 19710 1945 1 6 . 1 1 56 56 ASN HA H 56 4.349 4.349 4.141 0.208 19710 1946 1 6 . 1 1 56 56 ASN C C 56 177.227 177.227 176.888 0.339 19710 1947 1 6 . 1 1 56 56 ASN CA C 56 54.592 54.592 54.982 -0.390 19710 1948 1 6 . 1 1 56 56 ASN CB C 56 37.947 37.947 38.498 -0.551 19710 1949 1 6 . 1 1 56 56 ASN H H 56 8.563 8.563 7.931 0.632 19710 1950 1 6 . 1 1 57 57 GLY N N 57 107.640 107.640 106.080 1.560 19710 1951 1 6 . 1 1 57 57 GLY C C 57 174.906 174.906 175.667 -0.761 19710 1952 1 6 . 1 1 57 57 GLY CA C 57 46.079 46.079 46.354 -0.275 19710 1953 1 6 . 1 1 57 57 GLY H H 57 7.890 7.890 7.540 0.350 19710 1954 1 6 . 1 1 58 58 LEU N N 58 120.735 120.735 117.668 3.067 19710 1955 1 6 . 1 1 58 58 LEU HA H 58 4.110 4.110 4.329 -0.219 19710 1956 1 6 . 1 1 58 58 LEU C C 58 177.607 177.607 178.173 -0.566 19710 1957 1 6 . 1 1 58 58 LEU CA C 58 55.836 55.836 57.035 -1.199 19710 1958 1 6 . 1 1 58 58 LEU CB C 58 42.340 42.340 41.415 0.925 19710 1959 1 6 . 1 1 58 58 LEU H H 58 7.528 7.528 7.681 -0.153 19710 1960 1 6 . 1 1 59 59 HIS N N 59 118.359 118.359 118.238 0.121 19710 1961 1 6 . 1 1 59 59 HIS HA H 59 4.417 4.417 4.420 -0.003 19710 1962 1 6 . 1 1 59 59 HIS C C 59 175.499 175.499 175.485 0.014 19710 1963 1 6 . 1 1 59 59 HIS CA C 59 56.604 56.604 58.163 -1.559 19710 1964 1 6 . 1 1 59 59 HIS CB C 59 30.480 30.480 30.838 -0.358 19710 1965 1 6 . 1 1 59 59 HIS H H 59 7.875 7.875 7.712 0.163 19710 1966 1 6 . 1 1 60 60 MET N N 60 120.255 120.255 115.399 4.856 19710 1967 1 6 . 1 1 60 60 MET HA H 60 4.365 4.365 4.161 0.204 19710 1968 1 6 . 1 1 60 60 MET CA C 60 55.643 55.643 56.102 -0.459 19710 1969 1 6 . 1 1 60 60 MET CB C 60 32.684 32.684 30.734 1.950 19710 1970 1 6 . 1 1 60 60 MET H H 60 7.884 7.884 7.640 0.244 19710 1971 1 6 . 1 1 62 62 LYS HA H 62 4.301 4.301 4.438 -0.137 19710 1972 1 6 . 1 1 62 62 LYS C C 62 176.168 176.168 175.792 0.376 19710 1973 1 6 . 1 1 62 62 LYS CA C 62 56.312 56.312 55.303 1.009 19710 1974 1 6 . 1 1 62 62 LYS CB C 62 32.975 32.975 33.501 -0.526 19710 1975 1 6 . 1 1 63 63 ASP N N 63 121.259 121.259 123.632 -2.373 19710 1976 1 6 . 1 1 63 63 ASP HA H 63 4.540 4.540 4.598 -0.058 19710 1977 1 6 . 1 1 63 63 ASP C C 63 175.024 175.024 176.543 -1.519 19710 1978 1 6 . 1 1 63 63 ASP CA C 63 54.569 54.569 54.249 0.320 19710 1979 1 6 . 1 1 63 63 ASP CB C 63 41.120 41.120 40.941 0.179 19710 1980 1 6 . 1 1 63 63 ASP H H 63 8.263 8.263 8.628 -0.365 19710 1981 1 7 . 1 1 2 2 ALA HA H 2 4.257 4.257 4.798 -0.541 19710 1982 1 7 . 1 1 2 2 ALA CA C 2 52.527 52.527 51.830 0.697 19710 1983 1 7 . 1 1 2 2 ALA CB C 2 19.363 19.363 19.858 -0.494 19710 1984 1 7 . 1 1 4 4 GLY C C 4 173.756 173.756 174.335 -0.579 19710 1985 1 7 . 1 1 4 4 GLY CA C 4 45.291 45.291 46.340 -1.049 19710 1986 1 7 . 1 1 5 5 ASP N N 5 120.203 120.203 124.972 -4.769 19710 1987 1 7 . 1 1 5 5 ASP HA H 5 4.451 4.451 4.634 -0.183 19710 1988 1 7 . 1 1 5 5 ASP C C 5 175.671 175.671 176.724 -1.053 19710 1989 1 7 . 1 1 5 5 ASP CA C 5 54.422 54.422 55.987 -1.565 19710 1990 1 7 . 1 1 5 5 ASP CB C 5 41.179 41.179 41.339 -0.160 19710 1991 1 7 . 1 1 5 5 ASP H H 5 8.028 8.028 8.383 -0.355 19710 1992 1 7 . 1 1 6 6 LEU N N 6 121.200 121.200 121.643 -0.443 19710 1993 1 7 . 1 1 6 6 LEU HA H 6 4.135 4.135 4.433 -0.298 19710 1994 1 7 . 1 1 6 6 LEU C C 6 176.638 176.638 175.453 1.185 19710 1995 1 7 . 1 1 6 6 LEU CA C 6 55.097 55.097 53.597 1.500 19710 1996 1 7 . 1 1 6 6 LEU CB C 6 42.364 42.364 40.218 2.146 19710 1997 1 7 . 1 1 6 6 LEU H H 6 7.873 7.873 7.355 0.518 19710 1998 1 7 . 1 1 7 7 TYR N N 7 121.938 121.938 121.603 0.335 19710 1999 1 7 . 1 1 7 7 TYR HA H 7 4.631 4.631 3.925 0.706 19710 2000 1 7 . 1 1 7 7 TYR C C 7 175.047 175.047 176.083 -1.036 19710 2001 1 7 . 1 1 7 7 TYR CA C 7 57.261 57.261 58.144 -0.883 19710 2002 1 7 . 1 1 7 7 TYR CB C 7 38.921 38.921 38.342 0.579 19710 2003 1 7 . 1 1 7 7 TYR H H 7 8.011 8.011 6.870 1.141 19710 2004 1 7 . 1 1 8 8 GLU N N 8 122.393 122.393 121.421 0.972 19710 2005 1 7 . 1 1 8 8 GLU HA H 8 4.769 4.769 4.230 0.539 19710 2006 1 7 . 1 1 8 8 GLU C C 8 175.583 175.583 176.031 -0.448 19710 2007 1 7 . 1 1 8 8 GLU CA C 8 54.988 54.988 56.296 -1.308 19710 2008 1 7 . 1 1 8 8 GLU CB C 8 32.551 32.551 28.577 3.974 19710 2009 1 7 . 1 1 8 8 GLU H H 8 9.047 9.047 8.555 0.492 19710 2010 1 7 . 1 1 9 9 VAL N N 9 126.546 126.546 122.928 3.618 19710 2011 1 7 . 1 1 9 9 VAL HA H 9 3.092 3.092 4.221 -1.129 19710 2012 1 7 . 1 1 9 9 VAL C C 9 175.170 175.170 175.466 -0.296 19710 2013 1 7 . 1 1 9 9 VAL CA C 9 64.309 64.309 62.543 1.766 19710 2014 1 7 . 1 1 9 9 VAL CB C 9 32.983 32.983 32.522 0.461 19710 2015 1 7 . 1 1 9 9 VAL H H 9 8.677 8.677 7.903 0.774 19710 2016 1 7 . 1 1 10 10 GLU N N 10 126.674 126.674 127.797 -1.123 19710 2017 1 7 . 1 1 10 10 GLU HA H 10 4.234 4.234 4.371 -0.137 19710 2018 1 7 . 1 1 10 10 GLU C C 10 175.505 175.505 176.581 -1.076 19710 2019 1 7 . 1 1 10 10 GLU CA C 10 57.459 57.459 58.680 -1.221 19710 2020 1 7 . 1 1 10 10 GLU CB C 10 31.296 31.296 31.050 0.246 19710 2021 1 7 . 1 1 10 10 GLU H H 10 9.120 9.120 8.796 0.324 19710 2022 1 7 . 1 1 11 11 ARG N N 11 111.321 111.321 111.855 -0.534 19710 2023 1 7 . 1 1 11 11 ARG HA H 11 4.115 4.115 4.783 -0.668 19710 2024 1 7 . 1 1 11 11 ARG C C 11 172.330 172.330 174.154 -1.824 19710 2025 1 7 . 1 1 11 11 ARG CA C 11 54.723 54.723 55.374 -0.651 19710 2026 1 7 . 1 1 11 11 ARG CB C 11 32.309 32.309 31.505 0.804 19710 2027 1 7 . 1 1 11 11 ARG H H 11 7.476 7.476 7.778 -0.302 19710 2028 1 7 . 1 1 12 12 ILE N N 12 120.610 120.610 119.974 0.636 19710 2029 1 7 . 1 1 12 12 ILE HA H 12 4.085 4.085 4.187 -0.102 19710 2030 1 7 . 1 1 12 12 ILE C C 12 175.353 175.353 176.482 -1.129 19710 2031 1 7 . 1 1 12 12 ILE CA C 12 60.515 60.515 62.055 -1.540 19710 2032 1 7 . 1 1 12 12 ILE CB C 12 38.338 38.338 38.057 0.281 19710 2033 1 7 . 1 1 12 12 ILE H H 12 8.295 8.295 8.796 -0.501 19710 2034 1 7 . 1 1 13 13 VAL N N 13 122.026 122.026 125.266 -3.240 19710 2035 1 7 . 1 1 13 13 VAL HA H 13 4.047 4.047 4.157 -0.110 19710 2036 1 7 . 1 1 13 13 VAL C C 13 175.311 175.311 175.772 -0.461 19710 2037 1 7 . 1 1 13 13 VAL CA C 13 62.460 62.460 63.794 -1.334 19710 2038 1 7 . 1 1 13 13 VAL CB C 13 33.344 33.344 32.649 0.695 19710 2039 1 7 . 1 1 13 13 VAL H H 13 8.939 8.939 8.873 0.066 19710 2040 1 7 . 1 1 14 14 ASP N N 14 117.407 117.407 115.069 2.338 19710 2041 1 7 . 1 1 14 14 ASP HA H 14 4.776 4.776 4.871 -0.095 19710 2042 1 7 . 1 1 14 14 ASP C C 14 173.374 173.374 173.478 -0.104 19710 2043 1 7 . 1 1 14 14 ASP CA C 14 53.034 53.034 52.972 0.062 19710 2044 1 7 . 1 1 14 14 ASP CB C 14 43.749 43.749 43.540 0.209 19710 2045 1 7 . 1 1 14 14 ASP H H 14 7.236 7.236 7.772 -0.536 19710 2046 1 7 . 1 1 15 15 LYS N N 15 118.628 118.628 117.849 0.779 19710 2047 1 7 . 1 1 15 15 LYS HA H 15 5.517 5.517 4.382 1.135 19710 2048 1 7 . 1 1 15 15 LYS C C 15 173.885 173.885 175.243 -1.358 19710 2049 1 7 . 1 1 15 15 LYS CA C 15 55.716 55.716 54.292 1.424 19710 2050 1 7 . 1 1 15 15 LYS CB C 15 37.575 37.575 35.208 2.367 19710 2051 1 7 . 1 1 15 15 LYS H H 15 9.430 9.430 8.155 1.275 19710 2052 1 7 . 1 1 16 16 ARG N N 16 120.175 120.175 115.954 4.221 19710 2053 1 7 . 1 1 16 16 ARG HA H 16 4.872 4.872 4.426 0.446 19710 2054 1 7 . 1 1 16 16 ARG C C 16 172.365 172.365 173.410 -1.045 19710 2055 1 7 . 1 1 16 16 ARG CA C 16 54.680 54.680 55.353 -0.673 19710 2056 1 7 . 1 1 16 16 ARG CB C 16 32.460 32.460 31.617 0.843 19710 2057 1 7 . 1 1 16 16 ARG H H 16 9.326 9.326 8.817 0.509 19710 2058 1 7 . 1 1 17 17 LYS N N 17 122.374 122.374 120.661 1.713 19710 2059 1 7 . 1 1 17 17 LYS HA H 17 4.306 4.306 4.642 -0.336 19710 2060 1 7 . 1 1 17 17 LYS C C 17 176.978 176.978 176.698 0.280 19710 2061 1 7 . 1 1 17 17 LYS CA C 17 54.557 54.557 54.733 -0.177 19710 2062 1 7 . 1 1 17 17 LYS CB C 17 33.310 33.310 32.667 0.643 19710 2063 1 7 . 1 1 17 17 LYS H H 17 8.480 8.480 8.324 0.156 19710 2064 1 7 . 1 1 18 18 ASN N N 18 123.092 123.092 124.850 -1.758 19710 2065 1 7 . 1 1 18 18 ASN HA H 18 4.482 4.482 4.375 0.107 19710 2066 1 7 . 1 1 18 18 ASN CA C 18 50.611 50.611 54.310 -3.699 19710 2067 1 7 . 1 1 18 18 ASN CB C 18 39.055 39.055 40.013 -0.958 19710 2068 1 7 . 1 1 18 18 ASN H H 18 8.736 8.736 8.556 0.180 19710 2069 1 7 . 1 1 19 19 LYS HA H 19 3.939 3.939 4.055 -0.116 19710 2070 1 7 . 1 1 19 19 LYS C C 19 177.548 177.548 177.708 -0.160 19710 2071 1 7 . 1 1 19 19 LYS CA C 19 58.543 58.543 58.362 0.181 19710 2072 1 7 . 1 1 19 19 LYS CB C 19 31.933 31.933 31.965 -0.032 19710 2073 1 7 . 1 1 20 20 LYS N N 20 117.362 117.362 119.784 -2.422 19710 2074 1 7 . 1 1 20 20 LYS HA H 20 4.262 4.262 4.419 -0.157 19710 2075 1 7 . 1 1 20 20 LYS C C 20 176.514 176.514 176.470 0.044 19710 2076 1 7 . 1 1 20 20 LYS CA C 20 55.489 55.489 55.368 0.121 19710 2077 1 7 . 1 1 20 20 LYS CB C 20 32.105 32.105 32.607 -0.502 19710 2078 1 7 . 1 1 20 20 LYS H H 20 7.491 7.491 8.143 -0.652 19710 2079 1 7 . 1 1 21 21 GLY N N 21 107.275 107.275 108.308 -1.033 19710 2080 1 7 . 1 1 21 21 GLY C C 21 173.503 173.503 173.798 -0.295 19710 2081 1 7 . 1 1 21 21 GLY CA C 21 45.413 45.413 45.880 -0.467 19710 2082 1 7 . 1 1 21 21 GLY H H 21 7.966 7.966 7.946 0.020 19710 2083 1 7 . 1 1 22 22 LYS N N 22 119.753 119.753 119.188 0.565 19710 2084 1 7 . 1 1 22 22 LYS HA H 22 4.380 4.380 4.648 -0.268 19710 2085 1 7 . 1 1 22 22 LYS C C 22 175.319 175.319 176.442 -1.123 19710 2086 1 7 . 1 1 22 22 LYS CA C 22 53.197 53.197 54.539 -1.342 19710 2087 1 7 . 1 1 22 22 LYS CB C 22 33.531 33.531 33.986 -0.455 19710 2088 1 7 . 1 1 22 22 LYS H H 22 7.457 7.457 7.347 0.110 19710 2089 1 7 . 1 1 23 23 TRP N N 23 120.227 120.227 121.344 -1.117 19710 2090 1 7 . 1 1 23 23 TRP HA H 23 4.837 4.837 4.581 0.256 19710 2091 1 7 . 1 1 23 23 TRP C C 23 176.246 176.246 176.550 -0.304 19710 2092 1 7 . 1 1 23 23 TRP CA C 23 57.338 57.338 58.661 -1.323 19710 2093 1 7 . 1 1 23 23 TRP CB C 23 31.142 31.142 29.921 1.221 19710 2094 1 7 . 1 1 23 23 TRP H H 23 8.564 8.564 8.963 -0.399 19710 2095 1 7 . 1 1 24 24 GLU N N 24 120.044 120.044 122.174 -2.130 19710 2096 1 7 . 1 1 24 24 GLU HA H 24 4.921 4.921 4.995 -0.074 19710 2097 1 7 . 1 1 24 24 GLU C C 24 174.505 174.505 174.375 0.130 19710 2098 1 7 . 1 1 24 24 GLU CA C 24 54.223 54.223 55.642 -1.419 19710 2099 1 7 . 1 1 24 24 GLU CB C 24 33.711 33.711 34.593 -0.882 19710 2100 1 7 . 1 1 24 24 GLU H H 24 9.257 9.257 8.545 0.712 19710 2101 1 7 . 1 1 25 25 TYR N N 25 118.993 118.993 120.945 -1.952 19710 2102 1 7 . 1 1 25 25 TYR HA H 25 5.017 5.017 4.725 0.292 19710 2103 1 7 . 1 1 25 25 TYR C C 25 173.068 173.068 174.086 -1.018 19710 2104 1 7 . 1 1 25 25 TYR CA C 25 57.173 57.173 57.077 0.096 19710 2105 1 7 . 1 1 25 25 TYR CB C 25 41.873 41.873 42.497 -0.624 19710 2106 1 7 . 1 1 25 25 TYR H H 25 9.119 9.119 9.300 -0.181 19710 2107 1 7 . 1 1 26 26 LEU N N 26 128.028 128.028 125.471 2.557 19710 2108 1 7 . 1 1 26 26 LEU HA H 26 3.632 3.632 4.433 -0.801 19710 2109 1 7 . 1 1 26 26 LEU C C 26 173.813 173.813 175.076 -1.263 19710 2110 1 7 . 1 1 26 26 LEU CA C 26 53.371 53.371 54.806 -1.435 19710 2111 1 7 . 1 1 26 26 LEU CB C 26 39.946 39.946 42.164 -2.219 19710 2112 1 7 . 1 1 26 26 LEU H H 26 7.788 7.788 8.330 -0.542 19710 2113 1 7 . 1 1 27 27 ILE N N 27 130.050 130.050 126.421 3.629 19710 2114 1 7 . 1 1 27 27 ILE HA H 27 3.604 3.604 4.731 -1.127 19710 2115 1 7 . 1 1 27 27 ILE C C 27 173.398 173.398 174.653 -1.255 19710 2116 1 7 . 1 1 27 27 ILE CA C 27 58.760 58.760 58.634 0.126 19710 2117 1 7 . 1 1 27 27 ILE CB C 27 38.186 38.186 39.903 -1.717 19710 2118 1 7 . 1 1 27 27 ILE H H 27 8.752 8.752 8.894 -0.142 19710 2119 1 7 . 1 1 28 28 ARG N N 28 123.071 123.071 123.054 0.017 19710 2120 1 7 . 1 1 28 28 ARG HA H 28 4.474 4.474 4.553 -0.079 19710 2121 1 7 . 1 1 28 28 ARG C C 28 174.476 174.476 174.845 -0.369 19710 2122 1 7 . 1 1 28 28 ARG CA C 28 52.104 52.104 54.598 -2.494 19710 2123 1 7 . 1 1 28 28 ARG CB C 28 29.007 29.007 32.539 -3.532 19710 2124 1 7 . 1 1 28 28 ARG H H 28 7.453 7.453 8.253 -0.800 19710 2125 1 7 . 1 1 29 29 TRP N N 29 132.787 132.787 121.648 11.139 19710 2126 1 7 . 1 1 29 29 TRP HA H 29 4.731 4.731 5.011 -0.280 19710 2127 1 7 . 1 1 29 29 TRP C C 29 176.623 176.623 176.489 0.134 19710 2128 1 7 . 1 1 29 29 TRP CA C 29 55.653 55.653 53.795 1.858 19710 2129 1 7 . 1 1 29 29 TRP CB C 29 31.065 31.065 30.310 0.755 19710 2130 1 7 . 1 1 29 29 TRP H H 29 9.197 9.197 8.456 0.741 19710 2131 1 7 . 1 1 30 30 LYS N N 30 122.843 122.843 122.990 -0.147 19710 2132 1 7 . 1 1 30 30 LYS HA H 30 4.212 4.212 3.939 0.273 19710 2133 1 7 . 1 1 30 30 LYS C C 30 177.688 177.688 177.695 -0.007 19710 2134 1 7 . 1 1 30 30 LYS CA C 30 58.203 58.203 58.615 -0.412 19710 2135 1 7 . 1 1 30 30 LYS CB C 30 33.152 33.152 32.679 0.473 19710 2136 1 7 . 1 1 30 30 LYS H H 30 9.134 9.134 8.494 0.640 19710 2137 1 7 . 1 1 31 31 GLY N N 31 113.057 113.057 112.152 0.905 19710 2138 1 7 . 1 1 31 31 GLY C C 31 173.562 173.562 174.340 -0.778 19710 2139 1 7 . 1 1 31 31 GLY CA C 31 44.973 44.973 45.070 -0.097 19710 2140 1 7 . 1 1 31 31 GLY H H 31 8.646 8.646 8.664 -0.018 19710 2141 1 7 . 1 1 32 32 TYR N N 32 119.993 119.993 123.375 -3.382 19710 2142 1 7 . 1 1 32 32 TYR HA H 32 4.620 4.620 4.677 -0.057 19710 2143 1 7 . 1 1 32 32 TYR C C 32 175.254 175.254 174.531 0.723 19710 2144 1 7 . 1 1 32 32 TYR CA C 32 57.742 57.742 56.453 1.288 19710 2145 1 7 . 1 1 32 32 TYR CB C 32 40.377 40.377 38.346 2.031 19710 2146 1 7 . 1 1 32 32 TYR H H 32 8.119 8.119 7.779 0.340 19710 2147 1 7 . 1 1 33 33 GLY N N 33 106.930 106.930 110.767 -3.837 19710 2148 1 7 . 1 1 33 33 GLY CA C 33 44.052 44.052 45.565 -1.513 19710 2149 1 7 . 1 1 33 33 GLY H H 33 8.510 8.510 8.473 0.037 19710 2150 1 7 . 1 1 34 34 SER HA H 34 4.437 4.437 4.453 -0.016 19710 2151 1 7 . 1 1 34 34 SER C C 34 176.594 176.594 177.307 -0.713 19710 2152 1 7 . 1 1 34 34 SER CA C 34 60.033 60.033 61.257 -1.224 19710 2153 1 7 . 1 1 34 34 SER CB C 34 63.310 63.310 62.882 0.428 19710 2154 1 7 . 1 1 35 35 THR N N 35 113.722 113.722 113.874 -0.152 19710 2155 1 7 . 1 1 35 35 THR HA H 35 4.117 4.117 4.169 -0.052 19710 2156 1 7 . 1 1 35 35 THR C C 35 175.474 175.474 175.322 0.152 19710 2157 1 7 . 1 1 35 35 THR CA C 35 63.751 63.751 64.078 -0.327 19710 2158 1 7 . 1 1 35 35 THR CB C 35 68.542 68.542 68.520 0.022 19710 2159 1 7 . 1 1 35 35 THR H H 35 7.788 7.788 8.197 -0.409 19710 2160 1 7 . 1 1 36 36 GLU N N 36 120.073 120.073 120.621 -0.548 19710 2161 1 7 . 1 1 36 36 GLU HA H 36 4.386 4.386 4.247 0.139 19710 2162 1 7 . 1 1 36 36 GLU C C 36 175.013 175.013 175.865 -0.852 19710 2163 1 7 . 1 1 36 36 GLU CA C 36 55.865 55.865 56.015 -0.150 19710 2164 1 7 . 1 1 36 36 GLU CB C 36 29.794 29.794 30.667 -0.873 19710 2165 1 7 . 1 1 36 36 GLU H H 36 7.825 7.825 7.466 0.359 19710 2166 1 7 . 1 1 37 37 ASP N N 37 121.647 121.647 120.107 1.540 19710 2167 1 7 . 1 1 37 37 ASP HA H 37 5.075 5.075 4.318 0.757 19710 2168 1 7 . 1 1 37 37 ASP C C 37 178.071 178.071 175.990 2.081 19710 2169 1 7 . 1 1 37 37 ASP CA C 37 55.606 55.606 54.490 1.116 19710 2170 1 7 . 1 1 37 37 ASP CB C 37 39.712 39.712 40.109 -0.397 19710 2171 1 7 . 1 1 37 37 ASP H H 37 7.386 7.386 7.637 -0.251 19710 2172 1 7 . 1 1 38 38 THR N N 38 111.963 111.963 117.053 -5.090 19710 2173 1 7 . 1 1 38 38 THR HA H 38 4.675 4.675 4.079 0.596 19710 2174 1 7 . 1 1 38 38 THR C C 38 173.399 173.399 173.402 -0.003 19710 2175 1 7 . 1 1 38 38 THR CA C 38 59.483 59.483 59.860 -0.377 19710 2176 1 7 . 1 1 38 38 THR CB C 38 71.810 71.810 71.286 0.524 19710 2177 1 7 . 1 1 38 38 THR H H 38 7.821 7.821 8.415 -0.594 19710 2178 1 7 . 1 1 39 39 TRP N N 39 123.340 123.340 126.191 -2.851 19710 2179 1 7 . 1 1 39 39 TRP HA H 39 4.835 4.835 5.000 -0.165 19710 2180 1 7 . 1 1 39 39 TRP C C 39 177.090 177.090 176.223 0.867 19710 2181 1 7 . 1 1 39 39 TRP CA C 39 56.443 56.443 56.387 0.056 19710 2182 1 7 . 1 1 39 39 TRP CB C 39 29.574 29.574 28.608 0.966 19710 2183 1 7 . 1 1 39 39 TRP H H 39 8.546 8.546 8.458 0.088 19710 2184 1 7 . 1 1 40 40 GLU N N 40 124.822 124.822 125.499 -0.677 19710 2185 1 7 . 1 1 40 40 GLU HA H 40 5.196 5.196 4.873 0.323 19710 2186 1 7 . 1 1 40 40 GLU CA C 40 51.859 51.859 53.205 -1.346 19710 2187 1 7 . 1 1 40 40 GLU CB C 40 31.934 31.934 30.439 1.495 19710 2188 1 7 . 1 1 40 40 GLU H H 40 9.710 9.710 8.618 1.092 19710 2189 1 7 . 1 1 41 41 PRO HA H 41 4.783 4.783 4.559 0.224 19710 2190 1 7 . 1 1 41 41 PRO C C 41 178.201 178.201 177.628 0.573 19710 2191 1 7 . 1 1 41 41 PRO CA C 41 62.030 62.030 62.882 -0.852 19710 2192 1 7 . 1 1 41 41 PRO CB C 41 32.833 32.833 32.833 0.000 19710 2193 1 7 . 1 1 42 42 GLU N N 42 118.959 118.959 124.340 -5.381 19710 2194 1 7 . 1 1 42 42 GLU HA H 42 3.984 3.984 4.106 -0.122 19710 2195 1 7 . 1 1 42 42 GLU C C 42 177.841 177.841 178.561 -0.720 19710 2196 1 7 . 1 1 42 42 GLU CA C 42 60.156 60.156 60.208 -0.052 19710 2197 1 7 . 1 1 42 42 GLU CB C 42 30.554 30.554 29.800 0.753 19710 2198 1 7 . 1 1 42 42 GLU H H 42 8.531 8.531 8.613 -0.082 19710 2199 1 7 . 1 1 43 43 HIS N N 43 113.679 113.679 116.077 -2.398 19710 2200 1 7 . 1 1 43 43 HIS HA H 43 4.592 4.592 4.293 0.299 19710 2201 1 7 . 1 1 43 43 HIS C C 43 176.547 176.547 175.419 1.128 19710 2202 1 7 . 1 1 43 43 HIS CA C 43 58.187 58.187 56.831 1.356 19710 2203 1 7 . 1 1 43 43 HIS CB C 43 29.362 29.362 29.656 -0.294 19710 2204 1 7 . 1 1 43 43 HIS H H 43 7.998 7.998 8.603 -0.605 19710 2205 1 7 . 1 1 44 44 HIS N N 44 119.428 119.428 115.647 3.781 19710 2206 1 7 . 1 1 44 44 HIS HA H 44 4.886 4.886 4.717 0.169 19710 2207 1 7 . 1 1 44 44 HIS C C 44 175.566 175.566 175.098 0.468 19710 2208 1 7 . 1 1 44 44 HIS CA C 44 55.392 55.392 55.417 -0.025 19710 2209 1 7 . 1 1 44 44 HIS CB C 44 30.049 30.049 31.060 -1.011 19710 2210 1 7 . 1 1 44 44 HIS H H 44 7.755 7.755 7.727 0.028 19710 2211 1 7 . 1 1 45 45 LEU N N 45 119.789 119.789 119.980 -0.191 19710 2212 1 7 . 1 1 45 45 LEU HA H 45 4.580 4.580 4.268 0.312 19710 2213 1 7 . 1 1 45 45 LEU C C 45 176.926 176.926 175.717 1.209 19710 2214 1 7 . 1 1 45 45 LEU CA C 45 53.930 53.930 57.273 -3.343 19710 2215 1 7 . 1 1 45 45 LEU CB C 45 42.010 42.010 42.882 -0.872 19710 2216 1 7 . 1 1 45 45 LEU H H 45 7.601 7.601 7.516 0.085 19710 2217 1 7 . 1 1 46 46 LEU N N 46 121.462 121.462 114.518 6.944 19710 2218 1 7 . 1 1 46 46 LEU HA H 46 4.100 4.100 4.448 -0.348 19710 2219 1 7 . 1 1 46 46 LEU CA C 46 56.925 56.925 53.813 3.112 19710 2220 1 7 . 1 1 46 46 LEU CB C 46 41.703 41.703 45.202 -3.499 19710 2221 1 7 . 1 1 46 46 LEU H H 46 7.696 7.696 7.601 0.095 19710 2222 1 7 . 1 1 47 47 HIS HA H 47 4.742 4.742 4.587 0.155 19710 2223 1 7 . 1 1 47 47 HIS C C 47 175.940 175.940 174.698 1.242 19710 2224 1 7 . 1 1 47 47 HIS CA C 47 56.483 56.483 56.946 -0.463 19710 2225 1 7 . 1 1 47 47 HIS CB C 47 29.209 29.209 30.774 -1.565 19710 2226 1 7 . 1 1 48 48 CYS N N 48 118.214 118.214 118.488 -0.274 19710 2227 1 7 . 1 1 48 48 CYS HA H 48 4.902 4.902 4.758 0.144 19710 2228 1 7 . 1 1 48 48 CYS C C 48 174.988 174.988 175.428 -0.440 19710 2229 1 7 . 1 1 48 48 CYS CA C 48 57.439 57.439 57.650 -0.211 19710 2230 1 7 . 1 1 48 48 CYS CB C 48 28.038 28.038 29.994 -1.956 19710 2231 1 7 . 1 1 48 48 CYS H H 48 7.823 7.823 7.853 -0.030 19710 2232 1 7 . 1 1 49 49 GLU N N 49 122.478 122.478 123.894 -1.416 19710 2233 1 7 . 1 1 49 49 GLU HA H 49 3.718 3.718 4.113 -0.395 19710 2234 1 7 . 1 1 49 49 GLU C C 49 177.607 177.607 177.296 0.311 19710 2235 1 7 . 1 1 49 49 GLU CA C 49 60.496 60.496 58.632 1.865 19710 2236 1 7 . 1 1 49 49 GLU CB C 49 29.391 29.391 29.616 -0.225 19710 2237 1 7 . 1 1 49 49 GLU H H 49 8.524 8.524 9.013 -0.489 19710 2238 1 7 . 1 1 50 50 GLU N N 50 118.424 118.424 118.126 0.298 19710 2239 1 7 . 1 1 50 50 GLU HA H 50 4.035 4.035 4.035 -0.000 19710 2240 1 7 . 1 1 50 50 GLU C C 50 178.942 178.942 178.785 0.157 19710 2241 1 7 . 1 1 50 50 GLU CA C 50 59.341 59.341 59.097 0.244 19710 2242 1 7 . 1 1 50 50 GLU CB C 50 28.492 28.492 28.579 -0.087 19710 2243 1 7 . 1 1 50 50 GLU H H 50 9.192 9.192 8.935 0.257 19710 2244 1 7 . 1 1 51 51 PHE N N 51 117.631 117.631 117.491 0.140 19710 2245 1 7 . 1 1 51 51 PHE HA H 51 4.345 4.345 4.620 -0.275 19710 2246 1 7 . 1 1 51 51 PHE C C 51 179.013 179.013 178.309 0.704 19710 2247 1 7 . 1 1 51 51 PHE CA C 51 59.916 59.916 61.165 -1.249 19710 2248 1 7 . 1 1 51 51 PHE CB C 51 38.425 38.425 38.460 -0.035 19710 2249 1 7 . 1 1 51 51 PHE H H 51 7.350 7.350 7.627 -0.277 19710 2250 1 7 . 1 1 52 52 ILE N N 52 123.512 123.512 119.603 3.909 19710 2251 1 7 . 1 1 52 52 ILE HA H 52 3.260 3.260 3.772 -0.512 19710 2252 1 7 . 1 1 52 52 ILE C C 52 177.036 177.036 177.855 -0.819 19710 2253 1 7 . 1 1 52 52 ILE CA C 52 65.356 65.356 64.272 1.084 19710 2254 1 7 . 1 1 52 52 ILE CB C 52 38.172 38.172 37.435 0.737 19710 2255 1 7 . 1 1 52 52 ILE H H 52 7.625 7.625 7.393 0.232 19710 2256 1 7 . 1 1 53 53 ASP N N 53 120.257 120.257 119.953 0.304 19710 2257 1 7 . 1 1 53 53 ASP HA H 53 4.302 4.302 4.372 -0.070 19710 2258 1 7 . 1 1 53 53 ASP C C 53 179.243 179.243 178.358 0.885 19710 2259 1 7 . 1 1 53 53 ASP CA C 53 57.343 57.343 57.893 -0.550 19710 2260 1 7 . 1 1 53 53 ASP CB C 53 40.085 40.085 41.023 -0.938 19710 2261 1 7 . 1 1 53 53 ASP H H 53 8.144 8.144 8.209 -0.065 19710 2262 1 7 . 1 1 54 54 GLU N N 54 119.707 119.707 119.197 0.510 19710 2263 1 7 . 1 1 54 54 GLU HA H 54 3.944 3.944 4.063 -0.119 19710 2264 1 7 . 1 1 54 54 GLU C C 54 178.652 178.652 178.700 -0.048 19710 2265 1 7 . 1 1 54 54 GLU CA C 54 59.071 59.071 58.607 0.464 19710 2266 1 7 . 1 1 54 54 GLU CB C 54 29.765 29.765 29.224 0.541 19710 2267 1 7 . 1 1 54 54 GLU H H 54 7.875 7.875 7.992 -0.117 19710 2268 1 7 . 1 1 55 55 PHE N N 55 120.573 120.573 122.431 -1.858 19710 2269 1 7 . 1 1 55 55 PHE HA H 55 4.138 4.138 4.265 -0.127 19710 2270 1 7 . 1 1 55 55 PHE C C 55 177.460 177.460 177.026 0.434 19710 2271 1 7 . 1 1 55 55 PHE CA C 55 61.425 61.425 61.016 0.409 19710 2272 1 7 . 1 1 55 55 PHE CB C 55 39.347 39.347 39.208 0.139 19710 2273 1 7 . 1 1 55 55 PHE H H 55 7.784 7.784 8.167 -0.383 19710 2274 1 7 . 1 1 56 56 ASN N N 56 117.284 117.284 117.354 -0.070 19710 2275 1 7 . 1 1 56 56 ASN HA H 56 4.349 4.349 4.246 0.103 19710 2276 1 7 . 1 1 56 56 ASN C C 56 177.227 177.227 177.842 -0.615 19710 2277 1 7 . 1 1 56 56 ASN CA C 56 54.592 54.592 56.107 -1.515 19710 2278 1 7 . 1 1 56 56 ASN CB C 56 37.947 37.947 38.396 -0.449 19710 2279 1 7 . 1 1 56 56 ASN H H 56 8.563 8.563 8.058 0.505 19710 2280 1 7 . 1 1 57 57 GLY N N 57 107.640 107.640 106.663 0.977 19710 2281 1 7 . 1 1 57 57 GLY C C 57 174.906 174.906 175.780 -0.874 19710 2282 1 7 . 1 1 57 57 GLY CA C 57 46.079 46.079 46.795 -0.716 19710 2283 1 7 . 1 1 57 57 GLY H H 57 7.890 7.890 7.612 0.278 19710 2284 1 7 . 1 1 58 58 LEU N N 58 120.735 120.735 118.941 1.794 19710 2285 1 7 . 1 1 58 58 LEU HA H 58 4.110 4.110 4.737 -0.627 19710 2286 1 7 . 1 1 58 58 LEU C C 58 177.607 177.607 177.974 -0.367 19710 2287 1 7 . 1 1 58 58 LEU CA C 58 55.836 55.836 56.372 -0.536 19710 2288 1 7 . 1 1 58 58 LEU CB C 58 42.340 42.340 41.780 0.560 19710 2289 1 7 . 1 1 58 58 LEU H H 58 7.528 7.528 7.728 -0.200 19710 2290 1 7 . 1 1 59 59 HIS N N 59 118.359 118.359 117.261 1.098 19710 2291 1 7 . 1 1 59 59 HIS HA H 59 4.417 4.417 4.534 -0.117 19710 2292 1 7 . 1 1 59 59 HIS C C 59 175.499 175.499 176.139 -0.640 19710 2293 1 7 . 1 1 59 59 HIS CA C 59 56.604 56.604 58.605 -2.001 19710 2294 1 7 . 1 1 59 59 HIS CB C 59 30.480 30.480 30.496 -0.016 19710 2295 1 7 . 1 1 59 59 HIS H H 59 7.875 7.875 7.847 0.028 19710 2296 1 7 . 1 1 60 60 MET N N 60 120.255 120.255 117.973 2.282 19710 2297 1 7 . 1 1 60 60 MET HA H 60 4.365 4.365 4.476 -0.111 19710 2298 1 7 . 1 1 60 60 MET CA C 60 55.643 55.643 56.855 -1.212 19710 2299 1 7 . 1 1 60 60 MET CB C 60 32.684 32.684 34.006 -1.322 19710 2300 1 7 . 1 1 60 60 MET H H 60 7.884 7.884 8.152 -0.268 19710 2301 1 7 . 1 1 62 62 LYS HA H 62 4.301 4.301 4.083 0.218 19710 2302 1 7 . 1 1 62 62 LYS C C 62 176.168 176.168 176.361 -0.193 19710 2303 1 7 . 1 1 62 62 LYS CA C 62 56.312 56.312 57.757 -1.445 19710 2304 1 7 . 1 1 62 62 LYS CB C 62 32.975 32.975 32.705 0.270 19710 2305 1 7 . 1 1 63 63 ASP N N 63 121.259 121.259 118.320 2.939 19710 2306 1 7 . 1 1 63 63 ASP HA H 63 4.540 4.540 4.711 -0.171 19710 2307 1 7 . 1 1 63 63 ASP C C 63 175.024 175.024 175.855 -0.831 19710 2308 1 7 . 1 1 63 63 ASP CA C 63 54.569 54.569 53.303 1.266 19710 2309 1 7 . 1 1 63 63 ASP CB C 63 41.120 41.120 42.541 -1.421 19710 2310 1 7 . 1 1 63 63 ASP H H 63 8.263 8.263 7.897 0.366 19710 2311 1 8 . 1 1 2 2 ALA HA H 2 4.257 4.257 4.664 -0.407 19710 2312 1 8 . 1 1 2 2 ALA CA C 2 52.527 52.527 51.976 0.551 19710 2313 1 8 . 1 1 2 2 ALA CB C 2 19.363 19.363 20.893 -1.530 19710 2314 1 8 . 1 1 4 4 GLY C C 4 173.756 173.756 173.722 0.034 19710 2315 1 8 . 1 1 4 4 GLY CA C 4 45.291 45.291 44.574 0.717 19710 2316 1 8 . 1 1 5 5 ASP N N 5 120.203 120.203 117.758 2.445 19710 2317 1 8 . 1 1 5 5 ASP HA H 5 4.451 4.451 4.246 0.205 19710 2318 1 8 . 1 1 5 5 ASP C C 5 175.671 175.671 176.730 -1.059 19710 2319 1 8 . 1 1 5 5 ASP CA C 5 54.422 54.422 55.417 -0.995 19710 2320 1 8 . 1 1 5 5 ASP CB C 5 41.179 41.179 41.011 0.168 19710 2321 1 8 . 1 1 5 5 ASP H H 5 8.028 8.028 8.321 -0.293 19710 2322 1 8 . 1 1 6 6 LEU N N 6 121.200 121.200 121.379 -0.179 19710 2323 1 8 . 1 1 6 6 LEU HA H 6 4.135 4.135 4.221 -0.086 19710 2324 1 8 . 1 1 6 6 LEU C C 6 176.638 176.638 176.473 0.165 19710 2325 1 8 . 1 1 6 6 LEU CA C 6 55.097 55.097 53.524 1.573 19710 2326 1 8 . 1 1 6 6 LEU CB C 6 42.364 42.364 40.007 2.357 19710 2327 1 8 . 1 1 6 6 LEU H H 6 7.873 7.873 7.627 0.246 19710 2328 1 8 . 1 1 7 7 TYR N N 7 121.938 121.938 121.108 0.830 19710 2329 1 8 . 1 1 7 7 TYR HA H 7 4.631 4.631 3.915 0.716 19710 2330 1 8 . 1 1 7 7 TYR C C 7 175.047 175.047 175.816 -0.769 19710 2331 1 8 . 1 1 7 7 TYR CA C 7 57.261 57.261 61.072 -3.811 19710 2332 1 8 . 1 1 7 7 TYR CB C 7 38.921 38.921 38.811 0.110 19710 2333 1 8 . 1 1 7 7 TYR H H 7 8.011 8.011 6.966 1.045 19710 2334 1 8 . 1 1 8 8 GLU N N 8 122.393 122.393 115.393 7.000 19710 2335 1 8 . 1 1 8 8 GLU HA H 8 4.769 4.769 4.388 0.381 19710 2336 1 8 . 1 1 8 8 GLU C C 8 175.583 175.583 174.547 1.036 19710 2337 1 8 . 1 1 8 8 GLU CA C 8 54.988 54.988 55.200 -0.212 19710 2338 1 8 . 1 1 8 8 GLU CB C 8 32.551 32.551 31.306 1.245 19710 2339 1 8 . 1 1 8 8 GLU H H 8 9.047 9.047 7.720 1.327 19710 2340 1 8 . 1 1 9 9 VAL N N 9 126.546 126.546 122.802 3.744 19710 2341 1 8 . 1 1 9 9 VAL HA H 9 3.092 3.092 4.407 -1.315 19710 2342 1 8 . 1 1 9 9 VAL C C 9 175.170 175.170 175.710 -0.540 19710 2343 1 8 . 1 1 9 9 VAL CA C 9 64.309 64.309 62.620 1.689 19710 2344 1 8 . 1 1 9 9 VAL CB C 9 32.983 32.983 31.960 1.023 19710 2345 1 8 . 1 1 9 9 VAL H H 9 8.677 8.677 8.243 0.434 19710 2346 1 8 . 1 1 10 10 GLU N N 10 126.674 126.674 130.320 -3.646 19710 2347 1 8 . 1 1 10 10 GLU HA H 10 4.234 4.234 4.312 -0.078 19710 2348 1 8 . 1 1 10 10 GLU C C 10 175.505 175.505 176.380 -0.875 19710 2349 1 8 . 1 1 10 10 GLU CA C 10 57.459 57.459 58.059 -0.600 19710 2350 1 8 . 1 1 10 10 GLU CB C 10 31.296 31.296 30.694 0.602 19710 2351 1 8 . 1 1 10 10 GLU H H 10 9.120 9.120 8.833 0.287 19710 2352 1 8 . 1 1 11 11 ARG N N 11 111.321 111.321 111.708 -0.387 19710 2353 1 8 . 1 1 11 11 ARG HA H 11 4.115 4.115 4.796 -0.681 19710 2354 1 8 . 1 1 11 11 ARG C C 11 172.330 172.330 173.915 -1.585 19710 2355 1 8 . 1 1 11 11 ARG CA C 11 54.723 54.723 55.264 -0.541 19710 2356 1 8 . 1 1 11 11 ARG CB C 11 32.309 32.309 31.961 0.348 19710 2357 1 8 . 1 1 11 11 ARG H H 11 7.476 7.476 7.741 -0.265 19710 2358 1 8 . 1 1 12 12 ILE N N 12 120.610 120.610 119.948 0.662 19710 2359 1 8 . 1 1 12 12 ILE HA H 12 4.085 4.085 4.185 -0.100 19710 2360 1 8 . 1 1 12 12 ILE C C 12 175.353 175.353 176.137 -0.784 19710 2361 1 8 . 1 1 12 12 ILE CA C 12 60.515 60.515 61.514 -0.999 19710 2362 1 8 . 1 1 12 12 ILE CB C 12 38.338 38.338 38.455 -0.117 19710 2363 1 8 . 1 1 12 12 ILE H H 12 8.295 8.295 8.787 -0.492 19710 2364 1 8 . 1 1 13 13 VAL N N 13 122.026 122.026 125.941 -3.915 19710 2365 1 8 . 1 1 13 13 VAL HA H 13 4.047 4.047 4.063 -0.016 19710 2366 1 8 . 1 1 13 13 VAL C C 13 175.311 175.311 176.102 -0.791 19710 2367 1 8 . 1 1 13 13 VAL CA C 13 62.460 62.460 64.007 -1.547 19710 2368 1 8 . 1 1 13 13 VAL CB C 13 33.344 33.344 32.623 0.721 19710 2369 1 8 . 1 1 13 13 VAL H H 13 8.939 8.939 8.814 0.125 19710 2370 1 8 . 1 1 14 14 ASP N N 14 117.407 117.407 114.418 2.989 19710 2371 1 8 . 1 1 14 14 ASP HA H 14 4.776 4.776 4.997 -0.221 19710 2372 1 8 . 1 1 14 14 ASP C C 14 173.374 173.374 173.706 -0.332 19710 2373 1 8 . 1 1 14 14 ASP CA C 14 53.034 53.034 53.092 -0.058 19710 2374 1 8 . 1 1 14 14 ASP CB C 14 43.749 43.749 43.533 0.216 19710 2375 1 8 . 1 1 14 14 ASP H H 14 7.236 7.236 7.985 -0.749 19710 2376 1 8 . 1 1 15 15 LYS N N 15 118.628 118.628 119.002 -0.374 19710 2377 1 8 . 1 1 15 15 LYS HA H 15 5.517 5.517 4.425 1.092 19710 2378 1 8 . 1 1 15 15 LYS C C 15 173.885 173.885 174.390 -0.505 19710 2379 1 8 . 1 1 15 15 LYS CA C 15 55.716 55.716 55.154 0.562 19710 2380 1 8 . 1 1 15 15 LYS CB C 15 37.575 37.575 34.950 2.625 19710 2381 1 8 . 1 1 15 15 LYS H H 15 9.430 9.430 8.315 1.115 19710 2382 1 8 . 1 1 16 16 ARG N N 16 120.175 120.175 116.605 3.570 19710 2383 1 8 . 1 1 16 16 ARG HA H 16 4.872 4.872 4.397 0.475 19710 2384 1 8 . 1 1 16 16 ARG C C 16 172.365 172.365 173.557 -1.192 19710 2385 1 8 . 1 1 16 16 ARG CA C 16 54.680 54.680 55.355 -0.675 19710 2386 1 8 . 1 1 16 16 ARG CB C 16 32.460 32.460 32.198 0.262 19710 2387 1 8 . 1 1 16 16 ARG H H 16 9.326 9.326 8.534 0.792 19710 2388 1 8 . 1 1 17 17 LYS N N 17 122.374 122.374 120.620 1.754 19710 2389 1 8 . 1 1 17 17 LYS HA H 17 4.306 4.306 4.774 -0.468 19710 2390 1 8 . 1 1 17 17 LYS C C 17 176.978 176.978 176.450 0.528 19710 2391 1 8 . 1 1 17 17 LYS CA C 17 54.557 54.557 54.353 0.204 19710 2392 1 8 . 1 1 17 17 LYS CB C 17 33.310 33.310 33.232 0.078 19710 2393 1 8 . 1 1 17 17 LYS H H 17 8.480 8.480 8.290 0.190 19710 2394 1 8 . 1 1 18 18 ASN N N 18 123.092 123.092 124.424 -1.332 19710 2395 1 8 . 1 1 18 18 ASN HA H 18 4.482 4.482 4.286 0.196 19710 2396 1 8 . 1 1 18 18 ASN CA C 18 50.611 50.611 54.129 -3.518 19710 2397 1 8 . 1 1 18 18 ASN CB C 18 39.055 39.055 39.834 -0.778 19710 2398 1 8 . 1 1 18 18 ASN H H 18 8.736 8.736 8.431 0.305 19710 2399 1 8 . 1 1 19 19 LYS HA H 19 3.939 3.939 4.046 -0.107 19710 2400 1 8 . 1 1 19 19 LYS C C 19 177.548 177.548 177.633 -0.085 19710 2401 1 8 . 1 1 19 19 LYS CA C 19 58.543 58.543 58.437 0.106 19710 2402 1 8 . 1 1 19 19 LYS CB C 19 31.933 31.933 31.951 -0.018 19710 2403 1 8 . 1 1 20 20 LYS N N 20 117.362 117.362 118.189 -0.827 19710 2404 1 8 . 1 1 20 20 LYS HA H 20 4.262 4.262 4.389 -0.127 19710 2405 1 8 . 1 1 20 20 LYS C C 20 176.514 176.514 176.463 0.051 19710 2406 1 8 . 1 1 20 20 LYS CA C 20 55.489 55.489 54.827 0.662 19710 2407 1 8 . 1 1 20 20 LYS CB C 20 32.105 32.105 32.146 -0.041 19710 2408 1 8 . 1 1 20 20 LYS H H 20 7.491 7.491 7.934 -0.443 19710 2409 1 8 . 1 1 21 21 GLY N N 21 107.275 107.275 109.198 -1.923 19710 2410 1 8 . 1 1 21 21 GLY C C 21 173.503 173.503 174.018 -0.515 19710 2411 1 8 . 1 1 21 21 GLY CA C 21 45.413 45.413 45.865 -0.452 19710 2412 1 8 . 1 1 21 21 GLY H H 21 7.966 7.966 7.673 0.293 19710 2413 1 8 . 1 1 22 22 LYS N N 22 119.753 119.753 118.827 0.926 19710 2414 1 8 . 1 1 22 22 LYS HA H 22 4.380 4.380 4.489 -0.109 19710 2415 1 8 . 1 1 22 22 LYS C C 22 175.319 175.319 176.577 -1.258 19710 2416 1 8 . 1 1 22 22 LYS CA C 22 53.197 53.197 54.782 -1.585 19710 2417 1 8 . 1 1 22 22 LYS CB C 22 33.531 33.531 33.308 0.223 19710 2418 1 8 . 1 1 22 22 LYS H H 22 7.457 7.457 7.758 -0.301 19710 2419 1 8 . 1 1 23 23 TRP N N 23 120.227 120.227 123.075 -2.848 19710 2420 1 8 . 1 1 23 23 TRP HA H 23 4.837 4.837 4.631 0.206 19710 2421 1 8 . 1 1 23 23 TRP C C 23 176.246 176.246 176.417 -0.171 19710 2422 1 8 . 1 1 23 23 TRP CA C 23 57.338 57.338 58.304 -0.966 19710 2423 1 8 . 1 1 23 23 TRP CB C 23 31.142 31.142 29.002 2.140 19710 2424 1 8 . 1 1 23 23 TRP H H 23 8.564 8.564 9.100 -0.536 19710 2425 1 8 . 1 1 24 24 GLU N N 24 120.044 120.044 122.109 -2.065 19710 2426 1 8 . 1 1 24 24 GLU HA H 24 4.921 4.921 5.247 -0.326 19710 2427 1 8 . 1 1 24 24 GLU C C 24 174.505 174.505 175.448 -0.943 19710 2428 1 8 . 1 1 24 24 GLU CA C 24 54.223 54.223 55.041 -0.818 19710 2429 1 8 . 1 1 24 24 GLU CB C 24 33.711 33.711 34.825 -1.114 19710 2430 1 8 . 1 1 24 24 GLU H H 24 9.257 9.257 8.733 0.524 19710 2431 1 8 . 1 1 25 25 TYR N N 25 118.993 118.993 120.271 -1.278 19710 2432 1 8 . 1 1 25 25 TYR HA H 25 5.017 5.017 4.733 0.284 19710 2433 1 8 . 1 1 25 25 TYR C C 25 173.068 173.068 174.364 -1.296 19710 2434 1 8 . 1 1 25 25 TYR CA C 25 57.173 57.173 57.045 0.128 19710 2435 1 8 . 1 1 25 25 TYR CB C 25 41.873 41.873 41.685 0.188 19710 2436 1 8 . 1 1 25 25 TYR H H 25 9.119 9.119 9.340 -0.221 19710 2437 1 8 . 1 1 26 26 LEU N N 26 128.028 128.028 126.102 1.926 19710 2438 1 8 . 1 1 26 26 LEU HA H 26 3.632 3.632 4.638 -1.006 19710 2439 1 8 . 1 1 26 26 LEU C C 26 173.813 173.813 175.402 -1.589 19710 2440 1 8 . 1 1 26 26 LEU CA C 26 53.371 53.371 54.947 -1.576 19710 2441 1 8 . 1 1 26 26 LEU CB C 26 39.946 39.946 42.065 -2.119 19710 2442 1 8 . 1 1 26 26 LEU H H 26 7.788 7.788 8.220 -0.432 19710 2443 1 8 . 1 1 27 27 ILE N N 27 130.050 130.050 127.038 3.012 19710 2444 1 8 . 1 1 27 27 ILE HA H 27 3.604 3.604 4.507 -0.903 19710 2445 1 8 . 1 1 27 27 ILE C C 27 173.398 173.398 174.718 -1.320 19710 2446 1 8 . 1 1 27 27 ILE CA C 27 58.760 58.760 58.692 0.068 19710 2447 1 8 . 1 1 27 27 ILE CB C 27 38.186 38.186 39.887 -1.701 19710 2448 1 8 . 1 1 27 27 ILE H H 27 8.752 8.752 9.102 -0.350 19710 2449 1 8 . 1 1 28 28 ARG N N 28 123.071 123.071 121.182 1.889 19710 2450 1 8 . 1 1 28 28 ARG HA H 28 4.474 4.474 4.694 -0.220 19710 2451 1 8 . 1 1 28 28 ARG C C 28 174.476 174.476 174.926 -0.450 19710 2452 1 8 . 1 1 28 28 ARG CA C 28 52.104 52.104 54.785 -2.681 19710 2453 1 8 . 1 1 28 28 ARG CB C 28 29.007 29.007 32.797 -3.790 19710 2454 1 8 . 1 1 28 28 ARG H H 28 7.453 7.453 8.692 -1.239 19710 2455 1 8 . 1 1 29 29 TRP N N 29 132.787 132.787 122.172 10.615 19710 2456 1 8 . 1 1 29 29 TRP HA H 29 4.731 4.731 5.198 -0.467 19710 2457 1 8 . 1 1 29 29 TRP C C 29 176.623 176.623 176.132 0.491 19710 2458 1 8 . 1 1 29 29 TRP CA C 29 55.653 55.653 53.837 1.816 19710 2459 1 8 . 1 1 29 29 TRP CB C 29 31.065 31.065 31.333 -0.268 19710 2460 1 8 . 1 1 29 29 TRP H H 29 9.197 9.197 8.801 0.396 19710 2461 1 8 . 1 1 30 30 LYS N N 30 122.843 122.843 121.357 1.486 19710 2462 1 8 . 1 1 30 30 LYS HA H 30 4.212 4.212 4.159 0.053 19710 2463 1 8 . 1 1 30 30 LYS C C 30 177.688 177.688 177.566 0.122 19710 2464 1 8 . 1 1 30 30 LYS CA C 30 58.203 58.203 58.225 -0.022 19710 2465 1 8 . 1 1 30 30 LYS CB C 30 33.152 33.152 32.946 0.206 19710 2466 1 8 . 1 1 30 30 LYS H H 30 9.134 9.134 8.649 0.485 19710 2467 1 8 . 1 1 31 31 GLY N N 31 113.057 113.057 114.115 -1.058 19710 2468 1 8 . 1 1 31 31 GLY C C 31 173.562 173.562 174.353 -0.791 19710 2469 1 8 . 1 1 31 31 GLY CA C 31 44.973 44.973 45.361 -0.388 19710 2470 1 8 . 1 1 31 31 GLY H H 31 8.646 8.646 9.037 -0.391 19710 2471 1 8 . 1 1 32 32 TYR N N 32 119.993 119.993 120.942 -0.949 19710 2472 1 8 . 1 1 32 32 TYR HA H 32 4.620 4.620 4.740 -0.120 19710 2473 1 8 . 1 1 32 32 TYR C C 32 175.254 175.254 176.800 -1.546 19710 2474 1 8 . 1 1 32 32 TYR CA C 32 57.742 57.742 58.990 -1.248 19710 2475 1 8 . 1 1 32 32 TYR CB C 32 40.377 40.377 40.527 -0.150 19710 2476 1 8 . 1 1 32 32 TYR H H 32 8.119 8.119 7.659 0.460 19710 2477 1 8 . 1 1 33 33 GLY N N 33 106.930 106.930 108.364 -1.434 19710 2478 1 8 . 1 1 33 33 GLY CA C 33 44.052 44.052 46.594 -2.542 19710 2479 1 8 . 1 1 33 33 GLY H H 33 8.510 8.510 8.522 -0.012 19710 2480 1 8 . 1 1 34 34 SER HA H 34 4.437 4.437 4.187 0.250 19710 2481 1 8 . 1 1 34 34 SER C C 34 176.594 176.594 176.625 -0.031 19710 2482 1 8 . 1 1 34 34 SER CA C 34 60.033 60.033 61.305 -1.272 19710 2483 1 8 . 1 1 34 34 SER CB C 34 63.310 63.310 62.971 0.339 19710 2484 1 8 . 1 1 35 35 THR N N 35 113.722 113.722 114.617 -0.895 19710 2485 1 8 . 1 1 35 35 THR HA H 35 4.117 4.117 4.253 -0.136 19710 2486 1 8 . 1 1 35 35 THR C C 35 175.474 175.474 175.188 0.286 19710 2487 1 8 . 1 1 35 35 THR CA C 35 63.751 63.751 63.850 -0.099 19710 2488 1 8 . 1 1 35 35 THR CB C 35 68.542 68.542 68.375 0.167 19710 2489 1 8 . 1 1 35 35 THR H H 35 7.788 7.788 7.762 0.026 19710 2490 1 8 . 1 1 36 36 GLU N N 36 120.073 120.073 121.137 -1.064 19710 2491 1 8 . 1 1 36 36 GLU HA H 36 4.386 4.386 4.102 0.284 19710 2492 1 8 . 1 1 36 36 GLU C C 36 175.013 175.013 176.216 -1.203 19710 2493 1 8 . 1 1 36 36 GLU CA C 36 55.865 55.865 56.244 -0.379 19710 2494 1 8 . 1 1 36 36 GLU CB C 36 29.794 29.794 30.035 -0.241 19710 2495 1 8 . 1 1 36 36 GLU H H 36 7.825 7.825 7.533 0.292 19710 2496 1 8 . 1 1 37 37 ASP N N 37 121.647 121.647 120.652 0.995 19710 2497 1 8 . 1 1 37 37 ASP HA H 37 5.075 5.075 4.344 0.731 19710 2498 1 8 . 1 1 37 37 ASP C C 37 178.071 178.071 176.095 1.976 19710 2499 1 8 . 1 1 37 37 ASP CA C 37 55.606 55.606 55.007 0.599 19710 2500 1 8 . 1 1 37 37 ASP CB C 37 39.712 39.712 39.995 -0.283 19710 2501 1 8 . 1 1 37 37 ASP H H 37 7.386 7.386 7.634 -0.248 19710 2502 1 8 . 1 1 38 38 THR N N 38 111.963 111.963 117.808 -5.845 19710 2503 1 8 . 1 1 38 38 THR HA H 38 4.675 4.675 4.153 0.522 19710 2504 1 8 . 1 1 38 38 THR C C 38 173.399 173.399 172.762 0.637 19710 2505 1 8 . 1 1 38 38 THR CA C 38 59.483 59.483 60.063 -0.580 19710 2506 1 8 . 1 1 38 38 THR CB C 38 71.810 71.810 70.419 1.391 19710 2507 1 8 . 1 1 38 38 THR H H 38 7.821 7.821 8.112 -0.291 19710 2508 1 8 . 1 1 39 39 TRP N N 39 123.340 123.340 128.252 -4.912 19710 2509 1 8 . 1 1 39 39 TRP HA H 39 4.835 4.835 5.162 -0.327 19710 2510 1 8 . 1 1 39 39 TRP C C 39 177.090 177.090 176.285 0.805 19710 2511 1 8 . 1 1 39 39 TRP CA C 39 56.443 56.443 54.999 1.444 19710 2512 1 8 . 1 1 39 39 TRP CB C 39 29.574 29.574 28.212 1.362 19710 2513 1 8 . 1 1 39 39 TRP H H 39 8.546 8.546 8.631 -0.085 19710 2514 1 8 . 1 1 40 40 GLU N N 40 124.822 124.822 125.052 -0.230 19710 2515 1 8 . 1 1 40 40 GLU HA H 40 5.196 5.196 4.922 0.274 19710 2516 1 8 . 1 1 40 40 GLU CA C 40 51.859 51.859 53.522 -1.663 19710 2517 1 8 . 1 1 40 40 GLU CB C 40 31.934 31.934 30.982 0.952 19710 2518 1 8 . 1 1 40 40 GLU H H 40 9.710 9.710 8.863 0.847 19710 2519 1 8 . 1 1 41 41 PRO HA H 41 4.783 4.783 4.710 0.073 19710 2520 1 8 . 1 1 41 41 PRO C C 41 178.201 178.201 177.990 0.211 19710 2521 1 8 . 1 1 41 41 PRO CA C 41 62.030 62.030 63.286 -1.256 19710 2522 1 8 . 1 1 41 41 PRO CB C 41 32.833 32.833 32.577 0.256 19710 2523 1 8 . 1 1 42 42 GLU N N 42 118.959 118.959 125.344 -6.385 19710 2524 1 8 . 1 1 42 42 GLU HA H 42 3.984 3.984 4.000 -0.016 19710 2525 1 8 . 1 1 42 42 GLU C C 42 177.841 177.841 178.779 -0.938 19710 2526 1 8 . 1 1 42 42 GLU CA C 42 60.156 60.156 59.775 0.381 19710 2527 1 8 . 1 1 42 42 GLU CB C 42 30.554 30.554 29.782 0.772 19710 2528 1 8 . 1 1 42 42 GLU H H 42 8.531 8.531 8.670 -0.139 19710 2529 1 8 . 1 1 43 43 HIS N N 43 113.679 113.679 116.503 -2.824 19710 2530 1 8 . 1 1 43 43 HIS HA H 43 4.592 4.592 4.316 0.276 19710 2531 1 8 . 1 1 43 43 HIS C C 43 176.547 176.547 175.789 0.758 19710 2532 1 8 . 1 1 43 43 HIS CA C 43 58.187 58.187 58.023 0.164 19710 2533 1 8 . 1 1 43 43 HIS CB C 43 29.362 29.362 29.745 -0.383 19710 2534 1 8 . 1 1 43 43 HIS H H 43 7.998 7.998 8.682 -0.684 19710 2535 1 8 . 1 1 44 44 HIS N N 44 119.428 119.428 115.004 4.424 19710 2536 1 8 . 1 1 44 44 HIS HA H 44 4.886 4.886 4.767 0.119 19710 2537 1 8 . 1 1 44 44 HIS C C 44 175.566 175.566 175.018 0.548 19710 2538 1 8 . 1 1 44 44 HIS CA C 44 55.392 55.392 55.546 -0.154 19710 2539 1 8 . 1 1 44 44 HIS CB C 44 30.049 30.049 31.541 -1.492 19710 2540 1 8 . 1 1 44 44 HIS H H 44 7.755 7.755 7.792 -0.037 19710 2541 1 8 . 1 1 45 45 LEU N N 45 119.789 119.789 119.333 0.456 19710 2542 1 8 . 1 1 45 45 LEU HA H 45 4.580 4.580 4.253 0.327 19710 2543 1 8 . 1 1 45 45 LEU C C 45 176.926 176.926 175.743 1.183 19710 2544 1 8 . 1 1 45 45 LEU CA C 45 53.930 53.930 57.176 -3.246 19710 2545 1 8 . 1 1 45 45 LEU CB C 45 42.010 42.010 42.825 -0.815 19710 2546 1 8 . 1 1 45 45 LEU H H 45 7.601 7.601 7.480 0.121 19710 2547 1 8 . 1 1 46 46 LEU N N 46 121.462 121.462 115.220 6.242 19710 2548 1 8 . 1 1 46 46 LEU HA H 46 4.100 4.100 4.453 -0.353 19710 2549 1 8 . 1 1 46 46 LEU CA C 46 56.925 56.925 53.880 3.045 19710 2550 1 8 . 1 1 46 46 LEU CB C 46 41.703 41.703 44.584 -2.881 19710 2551 1 8 . 1 1 46 46 LEU H H 46 7.696 7.696 7.531 0.165 19710 2552 1 8 . 1 1 47 47 HIS HA H 47 4.742 4.742 4.419 0.323 19710 2553 1 8 . 1 1 47 47 HIS C C 47 175.940 175.940 174.963 0.977 19710 2554 1 8 . 1 1 47 47 HIS CA C 47 56.483 56.483 57.568 -1.085 19710 2555 1 8 . 1 1 47 47 HIS CB C 47 29.209 29.209 30.492 -1.283 19710 2556 1 8 . 1 1 48 48 CYS N N 48 118.214 118.214 119.257 -1.043 19710 2557 1 8 . 1 1 48 48 CYS HA H 48 4.902 4.902 4.686 0.216 19710 2558 1 8 . 1 1 48 48 CYS C C 48 174.988 174.988 174.935 0.053 19710 2559 1 8 . 1 1 48 48 CYS CA C 48 57.439 57.439 57.860 -0.421 19710 2560 1 8 . 1 1 48 48 CYS CB C 48 28.038 28.038 30.843 -2.805 19710 2561 1 8 . 1 1 48 48 CYS H H 48 7.823 7.823 7.854 -0.031 19710 2562 1 8 . 1 1 49 49 GLU N N 49 122.478 122.478 125.367 -2.889 19710 2563 1 8 . 1 1 49 49 GLU HA H 49 3.718 3.718 4.023 -0.305 19710 2564 1 8 . 1 1 49 49 GLU C C 49 177.607 177.607 177.549 0.058 19710 2565 1 8 . 1 1 49 49 GLU CA C 49 60.496 60.496 58.591 1.905 19710 2566 1 8 . 1 1 49 49 GLU CB C 49 29.391 29.391 29.308 0.083 19710 2567 1 8 . 1 1 49 49 GLU H H 49 8.524 8.524 9.077 -0.553 19710 2568 1 8 . 1 1 50 50 GLU N N 50 118.424 118.424 118.361 0.063 19710 2569 1 8 . 1 1 50 50 GLU HA H 50 4.035 4.035 4.044 -0.009 19710 2570 1 8 . 1 1 50 50 GLU C C 50 178.942 178.942 178.733 0.209 19710 2571 1 8 . 1 1 50 50 GLU CA C 50 59.341 59.341 59.176 0.165 19710 2572 1 8 . 1 1 50 50 GLU CB C 50 28.492 28.492 28.765 -0.273 19710 2573 1 8 . 1 1 50 50 GLU H H 50 9.192 9.192 8.903 0.289 19710 2574 1 8 . 1 1 51 51 PHE N N 51 117.631 117.631 116.735 0.896 19710 2575 1 8 . 1 1 51 51 PHE HA H 51 4.345 4.345 4.625 -0.280 19710 2576 1 8 . 1 1 51 51 PHE C C 51 179.013 179.013 178.404 0.609 19710 2577 1 8 . 1 1 51 51 PHE CA C 51 59.916 59.916 61.031 -1.115 19710 2578 1 8 . 1 1 51 51 PHE CB C 51 38.425 38.425 38.632 -0.207 19710 2579 1 8 . 1 1 51 51 PHE H H 51 7.350 7.350 7.694 -0.344 19710 2580 1 8 . 1 1 52 52 ILE N N 52 123.512 123.512 119.478 4.034 19710 2581 1 8 . 1 1 52 52 ILE HA H 52 3.260 3.260 3.848 -0.588 19710 2582 1 8 . 1 1 52 52 ILE C C 52 177.036 177.036 177.755 -0.719 19710 2583 1 8 . 1 1 52 52 ILE CA C 52 65.356 65.356 64.405 0.951 19710 2584 1 8 . 1 1 52 52 ILE CB C 52 38.172 38.172 37.533 0.639 19710 2585 1 8 . 1 1 52 52 ILE H H 52 7.625 7.625 7.858 -0.233 19710 2586 1 8 . 1 1 53 53 ASP N N 53 120.257 120.257 120.283 -0.026 19710 2587 1 8 . 1 1 53 53 ASP HA H 53 4.302 4.302 4.368 -0.066 19710 2588 1 8 . 1 1 53 53 ASP C C 53 179.243 179.243 178.329 0.914 19710 2589 1 8 . 1 1 53 53 ASP CA C 53 57.343 57.343 58.046 -0.703 19710 2590 1 8 . 1 1 53 53 ASP CB C 53 40.085 40.085 41.024 -0.939 19710 2591 1 8 . 1 1 53 53 ASP H H 53 8.144 8.144 8.224 -0.080 19710 2592 1 8 . 1 1 54 54 GLU N N 54 119.707 119.707 119.264 0.443 19710 2593 1 8 . 1 1 54 54 GLU HA H 54 3.944 3.944 4.060 -0.116 19710 2594 1 8 . 1 1 54 54 GLU C C 54 178.652 178.652 178.719 -0.067 19710 2595 1 8 . 1 1 54 54 GLU CA C 54 59.071 59.071 58.682 0.389 19710 2596 1 8 . 1 1 54 54 GLU CB C 54 29.765 29.765 29.213 0.552 19710 2597 1 8 . 1 1 54 54 GLU H H 54 7.875 7.875 7.878 -0.003 19710 2598 1 8 . 1 1 55 55 PHE N N 55 120.573 120.573 122.669 -2.096 19710 2599 1 8 . 1 1 55 55 PHE HA H 55 4.138 4.138 4.285 -0.147 19710 2600 1 8 . 1 1 55 55 PHE C C 55 177.460 177.460 176.946 0.514 19710 2601 1 8 . 1 1 55 55 PHE CA C 55 61.425 61.425 60.740 0.685 19710 2602 1 8 . 1 1 55 55 PHE CB C 55 39.347 39.347 39.252 0.095 19710 2603 1 8 . 1 1 55 55 PHE H H 55 7.784 7.784 8.160 -0.376 19710 2604 1 8 . 1 1 56 56 ASN N N 56 117.284 117.284 116.860 0.424 19710 2605 1 8 . 1 1 56 56 ASN HA H 56 4.349 4.349 4.208 0.141 19710 2606 1 8 . 1 1 56 56 ASN C C 56 177.227 177.227 177.212 0.015 19710 2607 1 8 . 1 1 56 56 ASN CA C 56 54.592 54.592 55.561 -0.969 19710 2608 1 8 . 1 1 56 56 ASN CB C 56 37.947 37.947 38.553 -0.607 19710 2609 1 8 . 1 1 56 56 ASN H H 56 8.563 8.563 8.191 0.372 19710 2610 1 8 . 1 1 57 57 GLY N N 57 107.640 107.640 107.651 -0.011 19710 2611 1 8 . 1 1 57 57 GLY C C 57 174.906 174.906 175.517 -0.611 19710 2612 1 8 . 1 1 57 57 GLY CA C 57 46.079 46.079 46.662 -0.583 19710 2613 1 8 . 1 1 57 57 GLY H H 57 7.890 7.890 7.666 0.224 19710 2614 1 8 . 1 1 58 58 LEU N N 58 120.735 120.735 118.670 2.065 19710 2615 1 8 . 1 1 58 58 LEU HA H 58 4.110 4.110 4.232 -0.122 19710 2616 1 8 . 1 1 58 58 LEU C C 58 177.607 177.607 178.536 -0.929 19710 2617 1 8 . 1 1 58 58 LEU CA C 58 55.836 55.836 57.056 -1.220 19710 2618 1 8 . 1 1 58 58 LEU CB C 58 42.340 42.340 41.166 1.174 19710 2619 1 8 . 1 1 58 58 LEU H H 58 7.528 7.528 7.899 -0.371 19710 2620 1 8 . 1 1 59 59 HIS N N 59 118.359 118.359 120.194 -1.835 19710 2621 1 8 . 1 1 59 59 HIS HA H 59 4.417 4.417 4.372 0.045 19710 2622 1 8 . 1 1 59 59 HIS C C 59 175.499 175.499 176.364 -0.865 19710 2623 1 8 . 1 1 59 59 HIS CA C 59 56.604 56.604 58.987 -2.383 19710 2624 1 8 . 1 1 59 59 HIS CB C 59 30.480 30.480 30.373 0.107 19710 2625 1 8 . 1 1 59 59 HIS H H 59 7.875 7.875 8.436 -0.561 19710 2626 1 8 . 1 1 60 60 MET N N 60 120.255 120.255 116.005 4.250 19710 2627 1 8 . 1 1 60 60 MET HA H 60 4.365 4.365 4.466 -0.101 19710 2628 1 8 . 1 1 60 60 MET CA C 60 55.643 55.643 55.719 -0.076 19710 2629 1 8 . 1 1 60 60 MET CB C 60 32.684 32.684 32.736 -0.052 19710 2630 1 8 . 1 1 60 60 MET H H 60 7.884 7.884 7.690 0.194 19710 2631 1 8 . 1 1 62 62 LYS HA H 62 4.301 4.301 3.944 0.357 19710 2632 1 8 . 1 1 62 62 LYS C C 62 176.168 176.168 176.718 -0.550 19710 2633 1 8 . 1 1 62 62 LYS CA C 62 56.312 56.312 58.767 -2.455 19710 2634 1 8 . 1 1 62 62 LYS CB C 62 32.975 32.975 30.262 2.713 19710 2635 1 8 . 1 1 63 63 ASP N N 63 121.259 121.259 122.847 -1.588 19710 2636 1 8 . 1 1 63 63 ASP HA H 63 4.540 4.540 4.586 -0.046 19710 2637 1 8 . 1 1 63 63 ASP C C 63 175.024 175.024 175.523 -0.499 19710 2638 1 8 . 1 1 63 63 ASP CA C 63 54.569 54.569 54.466 0.103 19710 2639 1 8 . 1 1 63 63 ASP CB C 63 41.120 41.120 41.703 -0.583 19710 2640 1 8 . 1 1 63 63 ASP H H 63 8.263 8.263 8.194 0.069 19710 2641 1 9 . 1 1 2 2 ALA HA H 2 4.257 4.257 4.038 0.219 19710 2642 1 9 . 1 1 2 2 ALA CA C 2 52.527 52.527 52.528 -0.001 19710 2643 1 9 . 1 1 2 2 ALA CB C 2 19.363 19.363 18.162 1.201 19710 2644 1 9 . 1 1 4 4 GLY C C 4 173.756 173.756 174.841 -1.085 19710 2645 1 9 . 1 1 4 4 GLY CA C 4 45.291 45.291 46.598 -1.307 19710 2646 1 9 . 1 1 5 5 ASP N N 5 120.203 120.203 124.868 -4.665 19710 2647 1 9 . 1 1 5 5 ASP HA H 5 4.451 4.451 4.703 -0.252 19710 2648 1 9 . 1 1 5 5 ASP C C 5 175.671 175.671 177.195 -1.524 19710 2649 1 9 . 1 1 5 5 ASP CA C 5 54.422 54.422 55.886 -1.464 19710 2650 1 9 . 1 1 5 5 ASP CB C 5 41.179 41.179 41.722 -0.543 19710 2651 1 9 . 1 1 5 5 ASP H H 5 8.028 8.028 8.465 -0.437 19710 2652 1 9 . 1 1 6 6 LEU N N 6 121.200 121.200 122.199 -0.999 19710 2653 1 9 . 1 1 6 6 LEU HA H 6 4.135 4.135 4.596 -0.461 19710 2654 1 9 . 1 1 6 6 LEU C C 6 176.638 176.638 176.132 0.506 19710 2655 1 9 . 1 1 6 6 LEU CA C 6 55.097 55.097 53.891 1.206 19710 2656 1 9 . 1 1 6 6 LEU CB C 6 42.364 42.364 39.959 2.405 19710 2657 1 9 . 1 1 6 6 LEU H H 6 7.873 7.873 7.517 0.356 19710 2658 1 9 . 1 1 7 7 TYR N N 7 121.938 121.938 122.361 -0.423 19710 2659 1 9 . 1 1 7 7 TYR HA H 7 4.631 4.631 4.332 0.299 19710 2660 1 9 . 1 1 7 7 TYR C C 7 175.047 175.047 176.787 -1.740 19710 2661 1 9 . 1 1 7 7 TYR CA C 7 57.261 57.261 57.680 -0.419 19710 2662 1 9 . 1 1 7 7 TYR CB C 7 38.921 38.921 39.303 -0.382 19710 2663 1 9 . 1 1 7 7 TYR H H 7 8.011 8.011 7.745 0.266 19710 2664 1 9 . 1 1 8 8 GLU N N 8 122.393 122.393 122.271 0.122 19710 2665 1 9 . 1 1 8 8 GLU HA H 8 4.769 4.769 4.284 0.485 19710 2666 1 9 . 1 1 8 8 GLU C C 8 175.583 175.583 176.038 -0.455 19710 2667 1 9 . 1 1 8 8 GLU CA C 8 54.988 54.988 56.794 -1.806 19710 2668 1 9 . 1 1 8 8 GLU CB C 8 32.551 32.551 28.971 3.580 19710 2669 1 9 . 1 1 8 8 GLU H H 8 9.047 9.047 8.765 0.282 19710 2670 1 9 . 1 1 9 9 VAL N N 9 126.546 126.546 122.520 4.026 19710 2671 1 9 . 1 1 9 9 VAL HA H 9 3.092 3.092 4.308 -1.216 19710 2672 1 9 . 1 1 9 9 VAL C C 9 175.170 175.170 175.661 -0.491 19710 2673 1 9 . 1 1 9 9 VAL CA C 9 64.309 64.309 62.066 2.243 19710 2674 1 9 . 1 1 9 9 VAL CB C 9 32.983 32.983 32.877 0.106 19710 2675 1 9 . 1 1 9 9 VAL H H 9 8.677 8.677 8.032 0.645 19710 2676 1 9 . 1 1 10 10 GLU N N 10 126.674 126.674 128.714 -2.040 19710 2677 1 9 . 1 1 10 10 GLU HA H 10 4.234 4.234 4.396 -0.162 19710 2678 1 9 . 1 1 10 10 GLU C C 10 175.505 175.505 176.435 -0.930 19710 2679 1 9 . 1 1 10 10 GLU CA C 10 57.459 57.459 57.847 -0.388 19710 2680 1 9 . 1 1 10 10 GLU CB C 10 31.296 31.296 30.714 0.582 19710 2681 1 9 . 1 1 10 10 GLU H H 10 9.120 9.120 8.750 0.370 19710 2682 1 9 . 1 1 11 11 ARG N N 11 111.321 111.321 112.439 -1.118 19710 2683 1 9 . 1 1 11 11 ARG HA H 11 4.115 4.115 4.917 -0.802 19710 2684 1 9 . 1 1 11 11 ARG C C 11 172.330 172.330 174.504 -2.174 19710 2685 1 9 . 1 1 11 11 ARG CA C 11 54.723 54.723 55.466 -0.743 19710 2686 1 9 . 1 1 11 11 ARG CB C 11 32.309 32.309 32.130 0.179 19710 2687 1 9 . 1 1 11 11 ARG H H 11 7.476 7.476 7.744 -0.268 19710 2688 1 9 . 1 1 12 12 ILE N N 12 120.610 120.610 119.980 0.630 19710 2689 1 9 . 1 1 12 12 ILE HA H 12 4.085 4.085 4.128 -0.043 19710 2690 1 9 . 1 1 12 12 ILE C C 12 175.353 175.353 176.126 -0.773 19710 2691 1 9 . 1 1 12 12 ILE CA C 12 60.515 60.515 62.367 -1.851 19710 2692 1 9 . 1 1 12 12 ILE CB C 12 38.338 38.338 38.017 0.320 19710 2693 1 9 . 1 1 12 12 ILE H H 12 8.295 8.295 8.712 -0.417 19710 2694 1 9 . 1 1 13 13 VAL N N 13 122.026 122.026 126.477 -4.451 19710 2695 1 9 . 1 1 13 13 VAL HA H 13 4.047 4.047 3.999 0.048 19710 2696 1 9 . 1 1 13 13 VAL C C 13 175.311 175.311 175.783 -0.472 19710 2697 1 9 . 1 1 13 13 VAL CA C 13 62.460 62.460 65.410 -2.950 19710 2698 1 9 . 1 1 13 13 VAL CB C 13 33.344 33.344 32.862 0.482 19710 2699 1 9 . 1 1 13 13 VAL H H 13 8.939 8.939 8.783 0.156 19710 2700 1 9 . 1 1 14 14 ASP N N 14 117.407 117.407 113.642 3.765 19710 2701 1 9 . 1 1 14 14 ASP HA H 14 4.776 4.776 4.787 -0.011 19710 2702 1 9 . 1 1 14 14 ASP C C 14 173.374 173.374 173.531 -0.157 19710 2703 1 9 . 1 1 14 14 ASP CA C 14 53.034 53.034 53.075 -0.041 19710 2704 1 9 . 1 1 14 14 ASP CB C 14 43.749 43.749 43.318 0.431 19710 2705 1 9 . 1 1 14 14 ASP H H 14 7.236 7.236 7.917 -0.681 19710 2706 1 9 . 1 1 15 15 LYS N N 15 118.628 118.628 118.742 -0.114 19710 2707 1 9 . 1 1 15 15 LYS HA H 15 5.517 5.517 4.409 1.108 19710 2708 1 9 . 1 1 15 15 LYS C C 15 173.885 173.885 174.573 -0.688 19710 2709 1 9 . 1 1 15 15 LYS CA C 15 55.716 55.716 54.995 0.721 19710 2710 1 9 . 1 1 15 15 LYS CB C 15 37.575 37.575 34.929 2.646 19710 2711 1 9 . 1 1 15 15 LYS H H 15 9.430 9.430 8.157 1.273 19710 2712 1 9 . 1 1 16 16 ARG N N 16 120.175 120.175 116.626 3.549 19710 2713 1 9 . 1 1 16 16 ARG HA H 16 4.872 4.872 4.471 0.401 19710 2714 1 9 . 1 1 16 16 ARG C C 16 172.365 172.365 173.455 -1.090 19710 2715 1 9 . 1 1 16 16 ARG CA C 16 54.680 54.680 54.847 -0.167 19710 2716 1 9 . 1 1 16 16 ARG CB C 16 32.460 32.460 31.397 1.063 19710 2717 1 9 . 1 1 16 16 ARG H H 16 9.326 9.326 8.653 0.673 19710 2718 1 9 . 1 1 17 17 LYS N N 17 122.374 122.374 119.614 2.760 19710 2719 1 9 . 1 1 17 17 LYS HA H 17 4.306 4.306 5.001 -0.695 19710 2720 1 9 . 1 1 17 17 LYS C C 17 176.978 176.978 176.353 0.625 19710 2721 1 9 . 1 1 17 17 LYS CA C 17 54.557 54.557 54.342 0.215 19710 2722 1 9 . 1 1 17 17 LYS CB C 17 33.310 33.310 33.952 -0.642 19710 2723 1 9 . 1 1 17 17 LYS H H 17 8.480 8.480 8.302 0.178 19710 2724 1 9 . 1 1 18 18 ASN N N 18 123.092 123.092 121.156 1.936 19710 2725 1 9 . 1 1 18 18 ASN HA H 18 4.482 4.482 4.662 -0.180 19710 2726 1 9 . 1 1 18 18 ASN CA C 18 50.611 50.611 52.729 -2.118 19710 2727 1 9 . 1 1 18 18 ASN CB C 18 39.055 39.055 40.288 -1.233 19710 2728 1 9 . 1 1 18 18 ASN H H 18 8.736 8.736 8.496 0.240 19710 2729 1 9 . 1 1 19 19 LYS HA H 19 3.939 3.939 4.047 -0.108 19710 2730 1 9 . 1 1 19 19 LYS C C 19 177.548 177.548 177.499 0.049 19710 2731 1 9 . 1 1 19 19 LYS CA C 19 58.543 58.543 58.598 -0.055 19710 2732 1 9 . 1 1 19 19 LYS CB C 19 31.933 31.933 32.126 -0.193 19710 2733 1 9 . 1 1 20 20 LYS N N 20 117.362 117.362 117.688 -0.326 19710 2734 1 9 . 1 1 20 20 LYS HA H 20 4.262 4.262 4.315 -0.053 19710 2735 1 9 . 1 1 20 20 LYS C C 20 176.514 176.514 176.059 0.455 19710 2736 1 9 . 1 1 20 20 LYS CA C 20 55.489 55.489 56.122 -0.633 19710 2737 1 9 . 1 1 20 20 LYS CB C 20 32.105 32.105 32.951 -0.846 19710 2738 1 9 . 1 1 20 20 LYS H H 20 7.491 7.491 8.222 -0.731 19710 2739 1 9 . 1 1 21 21 GLY N N 21 107.275 107.275 107.922 -0.647 19710 2740 1 9 . 1 1 21 21 GLY C C 21 173.503 173.503 173.592 -0.089 19710 2741 1 9 . 1 1 21 21 GLY CA C 21 45.413 45.413 44.836 0.577 19710 2742 1 9 . 1 1 21 21 GLY H H 21 7.966 7.966 7.568 0.398 19710 2743 1 9 . 1 1 22 22 LYS N N 22 119.753 119.753 119.131 0.622 19710 2744 1 9 . 1 1 22 22 LYS HA H 22 4.380 4.380 4.607 -0.227 19710 2745 1 9 . 1 1 22 22 LYS C C 22 175.319 175.319 176.620 -1.301 19710 2746 1 9 . 1 1 22 22 LYS CA C 22 53.197 53.197 55.391 -2.194 19710 2747 1 9 . 1 1 22 22 LYS CB C 22 33.531 33.531 33.429 0.102 19710 2748 1 9 . 1 1 22 22 LYS H H 22 7.457 7.457 7.906 -0.449 19710 2749 1 9 . 1 1 23 23 TRP N N 23 120.227 120.227 123.066 -2.839 19710 2750 1 9 . 1 1 23 23 TRP HA H 23 4.837 4.837 4.612 0.225 19710 2751 1 9 . 1 1 23 23 TRP C C 23 176.246 176.246 175.969 0.277 19710 2752 1 9 . 1 1 23 23 TRP CA C 23 57.338 57.338 56.968 0.370 19710 2753 1 9 . 1 1 23 23 TRP CB C 23 31.142 31.142 28.938 2.204 19710 2754 1 9 . 1 1 23 23 TRP H H 23 8.564 8.564 8.937 -0.373 19710 2755 1 9 . 1 1 24 24 GLU N N 24 120.044 120.044 120.850 -0.806 19710 2756 1 9 . 1 1 24 24 GLU HA H 24 4.921 4.921 5.038 -0.117 19710 2757 1 9 . 1 1 24 24 GLU C C 24 174.505 174.505 175.446 -0.941 19710 2758 1 9 . 1 1 24 24 GLU CA C 24 54.223 54.223 54.418 -0.195 19710 2759 1 9 . 1 1 24 24 GLU CB C 24 33.711 33.711 33.305 0.406 19710 2760 1 9 . 1 1 24 24 GLU H H 24 9.257 9.257 8.706 0.551 19710 2761 1 9 . 1 1 25 25 TYR N N 25 118.993 118.993 121.007 -2.014 19710 2762 1 9 . 1 1 25 25 TYR HA H 25 5.017 5.017 4.589 0.428 19710 2763 1 9 . 1 1 25 25 TYR C C 25 173.068 173.068 174.483 -1.415 19710 2764 1 9 . 1 1 25 25 TYR CA C 25 57.173 57.173 56.982 0.191 19710 2765 1 9 . 1 1 25 25 TYR CB C 25 41.873 41.873 41.007 0.866 19710 2766 1 9 . 1 1 25 25 TYR H H 25 9.119 9.119 9.321 -0.202 19710 2767 1 9 . 1 1 26 26 LEU N N 26 128.028 128.028 126.364 1.664 19710 2768 1 9 . 1 1 26 26 LEU HA H 26 3.632 3.632 4.705 -1.073 19710 2769 1 9 . 1 1 26 26 LEU C C 26 173.813 173.813 175.443 -1.630 19710 2770 1 9 . 1 1 26 26 LEU CA C 26 53.371 53.371 54.837 -1.466 19710 2771 1 9 . 1 1 26 26 LEU CB C 26 39.946 39.946 41.962 -2.016 19710 2772 1 9 . 1 1 26 26 LEU H H 26 7.788 7.788 8.212 -0.424 19710 2773 1 9 . 1 1 27 27 ILE N N 27 130.050 130.050 126.410 3.640 19710 2774 1 9 . 1 1 27 27 ILE HA H 27 3.604 3.604 4.493 -0.889 19710 2775 1 9 . 1 1 27 27 ILE C C 27 173.398 173.398 174.467 -1.069 19710 2776 1 9 . 1 1 27 27 ILE CA C 27 58.760 58.760 58.451 0.309 19710 2777 1 9 . 1 1 27 27 ILE CB C 27 38.186 38.186 39.661 -1.475 19710 2778 1 9 . 1 1 27 27 ILE H H 27 8.752 8.752 9.111 -0.359 19710 2779 1 9 . 1 1 28 28 ARG N N 28 123.071 123.071 121.092 1.979 19710 2780 1 9 . 1 1 28 28 ARG HA H 28 4.474 4.474 4.575 -0.101 19710 2781 1 9 . 1 1 28 28 ARG C C 28 174.476 174.476 174.431 0.045 19710 2782 1 9 . 1 1 28 28 ARG CA C 28 52.104 52.104 54.376 -2.272 19710 2783 1 9 . 1 1 28 28 ARG CB C 28 29.007 29.007 32.752 -3.745 19710 2784 1 9 . 1 1 28 28 ARG H H 28 7.453 7.453 8.858 -1.405 19710 2785 1 9 . 1 1 29 29 TRP N N 29 132.787 132.787 120.708 12.079 19710 2786 1 9 . 1 1 29 29 TRP HA H 29 4.731 4.731 4.944 -0.213 19710 2787 1 9 . 1 1 29 29 TRP C C 29 176.623 176.623 175.099 1.524 19710 2788 1 9 . 1 1 29 29 TRP CA C 29 55.653 55.653 53.699 1.954 19710 2789 1 9 . 1 1 29 29 TRP CB C 29 31.065 31.065 31.079 -0.014 19710 2790 1 9 . 1 1 29 29 TRP H H 29 9.197 9.197 7.870 1.327 19710 2791 1 9 . 1 1 30 30 LYS N N 30 122.843 122.843 122.378 0.465 19710 2792 1 9 . 1 1 30 30 LYS HA H 30 4.212 4.212 3.977 0.235 19710 2793 1 9 . 1 1 30 30 LYS C C 30 177.688 177.688 177.994 -0.306 19710 2794 1 9 . 1 1 30 30 LYS CA C 30 58.203 58.203 58.611 -0.408 19710 2795 1 9 . 1 1 30 30 LYS CB C 30 33.152 33.152 32.977 0.175 19710 2796 1 9 . 1 1 30 30 LYS H H 30 9.134 9.134 8.486 0.648 19710 2797 1 9 . 1 1 31 31 GLY N N 31 113.057 113.057 111.415 1.642 19710 2798 1 9 . 1 1 31 31 GLY C C 31 173.562 173.562 173.190 0.372 19710 2799 1 9 . 1 1 31 31 GLY CA C 31 44.973 44.973 44.962 0.012 19710 2800 1 9 . 1 1 31 31 GLY H H 31 8.646 8.646 8.832 -0.186 19710 2801 1 9 . 1 1 32 32 TYR N N 32 119.993 119.993 120.800 -0.807 19710 2802 1 9 . 1 1 32 32 TYR HA H 32 4.620 4.620 4.855 -0.235 19710 2803 1 9 . 1 1 32 32 TYR C C 32 175.254 175.254 175.035 0.219 19710 2804 1 9 . 1 1 32 32 TYR CA C 32 57.742 57.742 56.450 1.292 19710 2805 1 9 . 1 1 32 32 TYR CB C 32 40.377 40.377 40.954 -0.577 19710 2806 1 9 . 1 1 32 32 TYR H H 32 8.119 8.119 7.806 0.313 19710 2807 1 9 . 1 1 33 33 GLY N N 33 106.930 106.930 108.110 -1.180 19710 2808 1 9 . 1 1 33 33 GLY CA C 33 44.052 44.052 44.931 -0.879 19710 2809 1 9 . 1 1 33 33 GLY H H 33 8.510 8.510 8.486 0.024 19710 2810 1 9 . 1 1 34 34 SER HA H 34 4.437 4.437 4.253 0.184 19710 2811 1 9 . 1 1 34 34 SER C C 34 176.594 176.594 176.872 -0.278 19710 2812 1 9 . 1 1 34 34 SER CA C 34 60.033 60.033 61.144 -1.111 19710 2813 1 9 . 1 1 34 34 SER CB C 34 63.310 63.310 63.026 0.284 19710 2814 1 9 . 1 1 35 35 THR N N 35 113.722 113.722 115.586 -1.864 19710 2815 1 9 . 1 1 35 35 THR HA H 35 4.117 4.117 4.158 -0.041 19710 2816 1 9 . 1 1 35 35 THR C C 35 175.474 175.474 175.555 -0.081 19710 2817 1 9 . 1 1 35 35 THR CA C 35 63.751 63.751 64.314 -0.563 19710 2818 1 9 . 1 1 35 35 THR CB C 35 68.542 68.542 68.734 -0.192 19710 2819 1 9 . 1 1 35 35 THR H H 35 7.788 7.788 8.152 -0.364 19710 2820 1 9 . 1 1 36 36 GLU N N 36 120.073 120.073 121.159 -1.086 19710 2821 1 9 . 1 1 36 36 GLU HA H 36 4.386 4.386 3.997 0.389 19710 2822 1 9 . 1 1 36 36 GLU C C 36 175.013 175.013 175.949 -0.936 19710 2823 1 9 . 1 1 36 36 GLU CA C 36 55.865 55.865 56.999 -1.134 19710 2824 1 9 . 1 1 36 36 GLU CB C 36 29.794 29.794 29.733 0.061 19710 2825 1 9 . 1 1 36 36 GLU H H 36 7.825 7.825 7.562 0.263 19710 2826 1 9 . 1 1 37 37 ASP N N 37 121.647 121.647 119.233 2.414 19710 2827 1 9 . 1 1 37 37 ASP HA H 37 5.075 5.075 4.231 0.844 19710 2828 1 9 . 1 1 37 37 ASP C C 37 178.071 178.071 175.977 2.094 19710 2829 1 9 . 1 1 37 37 ASP CA C 37 55.606 55.606 54.800 0.806 19710 2830 1 9 . 1 1 37 37 ASP CB C 37 39.712 39.712 39.090 0.622 19710 2831 1 9 . 1 1 37 37 ASP H H 37 7.386 7.386 7.903 -0.517 19710 2832 1 9 . 1 1 38 38 THR N N 38 111.963 111.963 114.711 -2.748 19710 2833 1 9 . 1 1 38 38 THR HA H 38 4.675 4.675 4.462 0.213 19710 2834 1 9 . 1 1 38 38 THR C C 38 173.399 173.399 173.903 -0.504 19710 2835 1 9 . 1 1 38 38 THR CA C 38 59.483 59.483 60.611 -1.128 19710 2836 1 9 . 1 1 38 38 THR CB C 38 71.810 71.810 70.418 1.392 19710 2837 1 9 . 1 1 38 38 THR H H 38 7.821 7.821 8.306 -0.485 19710 2838 1 9 . 1 1 39 39 TRP N N 39 123.340 123.340 126.358 -3.018 19710 2839 1 9 . 1 1 39 39 TRP HA H 39 4.835 4.835 5.157 -0.322 19710 2840 1 9 . 1 1 39 39 TRP C C 39 177.090 177.090 174.929 2.161 19710 2841 1 9 . 1 1 39 39 TRP CA C 39 56.443 56.443 54.090 2.353 19710 2842 1 9 . 1 1 39 39 TRP CB C 39 29.574 29.574 28.072 1.502 19710 2843 1 9 . 1 1 39 39 TRP H H 39 8.546 8.546 8.288 0.258 19710 2844 1 9 . 1 1 40 40 GLU N N 40 124.822 124.822 124.674 0.148 19710 2845 1 9 . 1 1 40 40 GLU HA H 40 5.196 5.196 4.854 0.342 19710 2846 1 9 . 1 1 40 40 GLU CA C 40 51.859 51.859 52.693 -0.834 19710 2847 1 9 . 1 1 40 40 GLU CB C 40 31.934 31.934 31.073 0.861 19710 2848 1 9 . 1 1 40 40 GLU H H 40 9.710 9.710 8.543 1.167 19710 2849 1 9 . 1 1 41 41 PRO HA H 41 4.783 4.783 4.975 -0.192 19710 2850 1 9 . 1 1 41 41 PRO C C 41 178.201 178.201 178.147 0.054 19710 2851 1 9 . 1 1 41 41 PRO CA C 41 62.030 62.030 62.642 -0.612 19710 2852 1 9 . 1 1 41 41 PRO CB C 41 32.833 32.833 33.298 -0.465 19710 2853 1 9 . 1 1 42 42 GLU N N 42 118.959 118.959 122.828 -3.869 19710 2854 1 9 . 1 1 42 42 GLU HA H 42 3.984 3.984 4.091 -0.107 19710 2855 1 9 . 1 1 42 42 GLU C C 42 177.841 177.841 178.556 -0.715 19710 2856 1 9 . 1 1 42 42 GLU CA C 42 60.156 60.156 60.026 0.130 19710 2857 1 9 . 1 1 42 42 GLU CB C 42 30.554 30.554 29.627 0.927 19710 2858 1 9 . 1 1 42 42 GLU H H 42 8.531 8.531 8.544 -0.013 19710 2859 1 9 . 1 1 43 43 HIS N N 43 113.679 113.679 114.000 -0.321 19710 2860 1 9 . 1 1 43 43 HIS HA H 43 4.592 4.592 4.489 0.103 19710 2861 1 9 . 1 1 43 43 HIS C C 43 176.547 176.547 175.811 0.736 19710 2862 1 9 . 1 1 43 43 HIS CA C 43 58.187 58.187 58.252 -0.065 19710 2863 1 9 . 1 1 43 43 HIS CB C 43 29.362 29.362 29.715 -0.353 19710 2864 1 9 . 1 1 43 43 HIS H H 43 7.998 7.998 8.562 -0.564 19710 2865 1 9 . 1 1 44 44 HIS N N 44 119.428 119.428 116.199 3.229 19710 2866 1 9 . 1 1 44 44 HIS HA H 44 4.886 4.886 4.808 0.078 19710 2867 1 9 . 1 1 44 44 HIS C C 44 175.566 175.566 175.349 0.217 19710 2868 1 9 . 1 1 44 44 HIS CA C 44 55.392 55.392 54.593 0.799 19710 2869 1 9 . 1 1 44 44 HIS CB C 44 30.049 30.049 31.307 -1.258 19710 2870 1 9 . 1 1 44 44 HIS H H 44 7.755 7.755 7.759 -0.004 19710 2871 1 9 . 1 1 45 45 LEU N N 45 119.789 119.789 119.170 0.619 19710 2872 1 9 . 1 1 45 45 LEU HA H 45 4.580 4.580 4.331 0.249 19710 2873 1 9 . 1 1 45 45 LEU C C 45 176.926 176.926 175.649 1.277 19710 2874 1 9 . 1 1 45 45 LEU CA C 45 53.930 53.930 56.661 -2.731 19710 2875 1 9 . 1 1 45 45 LEU CB C 45 42.010 42.010 43.179 -1.169 19710 2876 1 9 . 1 1 45 45 LEU H H 45 7.601 7.601 7.483 0.118 19710 2877 1 9 . 1 1 46 46 LEU N N 46 121.462 121.462 115.029 6.433 19710 2878 1 9 . 1 1 46 46 LEU HA H 46 4.100 4.100 4.377 -0.277 19710 2879 1 9 . 1 1 46 46 LEU CA C 46 56.925 56.925 54.799 2.126 19710 2880 1 9 . 1 1 46 46 LEU CB C 46 41.703 41.703 44.047 -2.344 19710 2881 1 9 . 1 1 46 46 LEU H H 46 7.696 7.696 7.519 0.177 19710 2882 1 9 . 1 1 47 47 HIS HA H 47 4.742 4.742 4.483 0.259 19710 2883 1 9 . 1 1 47 47 HIS C C 47 175.940 175.940 174.751 1.189 19710 2884 1 9 . 1 1 47 47 HIS CA C 47 56.483 56.483 57.809 -1.326 19710 2885 1 9 . 1 1 47 47 HIS CB C 47 29.209 29.209 30.340 -1.131 19710 2886 1 9 . 1 1 48 48 CYS N N 48 118.214 118.214 119.534 -1.320 19710 2887 1 9 . 1 1 48 48 CYS HA H 48 4.902 4.902 4.664 0.238 19710 2888 1 9 . 1 1 48 48 CYS C C 48 174.988 174.988 175.254 -0.266 19710 2889 1 9 . 1 1 48 48 CYS CA C 48 57.439 57.439 57.144 0.295 19710 2890 1 9 . 1 1 48 48 CYS CB C 48 28.038 28.038 28.985 -0.947 19710 2891 1 9 . 1 1 48 48 CYS H H 48 7.823 7.823 7.997 -0.174 19710 2892 1 9 . 1 1 49 49 GLU N N 49 122.478 122.478 126.474 -3.996 19710 2893 1 9 . 1 1 49 49 GLU HA H 49 3.718 3.718 4.010 -0.292 19710 2894 1 9 . 1 1 49 49 GLU C C 49 177.607 177.607 177.531 0.076 19710 2895 1 9 . 1 1 49 49 GLU CA C 49 60.496 60.496 58.529 1.966 19710 2896 1 9 . 1 1 49 49 GLU CB C 49 29.391 29.391 29.409 -0.018 19710 2897 1 9 . 1 1 49 49 GLU H H 49 8.524 8.524 9.126 -0.602 19710 2898 1 9 . 1 1 50 50 GLU N N 50 118.424 118.424 118.748 -0.324 19710 2899 1 9 . 1 1 50 50 GLU HA H 50 4.035 4.035 3.986 0.049 19710 2900 1 9 . 1 1 50 50 GLU C C 50 178.942 178.942 178.648 0.294 19710 2901 1 9 . 1 1 50 50 GLU CA C 50 59.341 59.341 59.191 0.150 19710 2902 1 9 . 1 1 50 50 GLU CB C 50 28.492 28.492 29.129 -0.637 19710 2903 1 9 . 1 1 50 50 GLU H H 50 9.192 9.192 8.828 0.364 19710 2904 1 9 . 1 1 51 51 PHE N N 51 117.631 117.631 117.024 0.607 19710 2905 1 9 . 1 1 51 51 PHE HA H 51 4.345 4.345 4.286 0.059 19710 2906 1 9 . 1 1 51 51 PHE C C 51 179.013 179.013 177.923 1.090 19710 2907 1 9 . 1 1 51 51 PHE CA C 51 59.916 59.916 61.356 -1.440 19710 2908 1 9 . 1 1 51 51 PHE CB C 51 38.425 38.425 38.755 -0.330 19710 2909 1 9 . 1 1 51 51 PHE H H 51 7.350 7.350 7.678 -0.328 19710 2910 1 9 . 1 1 52 52 ILE N N 52 123.512 123.512 119.514 3.998 19710 2911 1 9 . 1 1 52 52 ILE HA H 52 3.260 3.260 3.661 -0.401 19710 2912 1 9 . 1 1 52 52 ILE C C 52 177.036 177.036 177.723 -0.687 19710 2913 1 9 . 1 1 52 52 ILE CA C 52 65.356 65.356 64.696 0.660 19710 2914 1 9 . 1 1 52 52 ILE CB C 52 38.172 38.172 37.438 0.734 19710 2915 1 9 . 1 1 52 52 ILE H H 52 7.625 7.625 7.781 -0.156 19710 2916 1 9 . 1 1 53 53 ASP N N 53 120.257 120.257 119.713 0.544 19710 2917 1 9 . 1 1 53 53 ASP HA H 53 4.302 4.302 4.346 -0.044 19710 2918 1 9 . 1 1 53 53 ASP C C 53 179.243 179.243 178.570 0.673 19710 2919 1 9 . 1 1 53 53 ASP CA C 53 57.343 57.343 57.816 -0.473 19710 2920 1 9 . 1 1 53 53 ASP CB C 53 40.085 40.085 41.035 -0.950 19710 2921 1 9 . 1 1 53 53 ASP H H 53 8.144 8.144 8.067 0.077 19710 2922 1 9 . 1 1 54 54 GLU N N 54 119.707 119.707 119.763 -0.056 19710 2923 1 9 . 1 1 54 54 GLU HA H 54 3.944 3.944 4.050 -0.106 19710 2924 1 9 . 1 1 54 54 GLU C C 54 178.652 178.652 178.563 0.089 19710 2925 1 9 . 1 1 54 54 GLU CA C 54 59.071 59.071 58.952 0.119 19710 2926 1 9 . 1 1 54 54 GLU CB C 54 29.765 29.765 29.673 0.092 19710 2927 1 9 . 1 1 54 54 GLU H H 54 7.875 7.875 7.874 0.001 19710 2928 1 9 . 1 1 55 55 PHE N N 55 120.573 120.573 120.420 0.153 19710 2929 1 9 . 1 1 55 55 PHE HA H 55 4.138 4.138 4.272 -0.134 19710 2930 1 9 . 1 1 55 55 PHE C C 55 177.460 177.460 177.063 0.397 19710 2931 1 9 . 1 1 55 55 PHE CA C 55 61.425 61.425 61.333 0.092 19710 2932 1 9 . 1 1 55 55 PHE CB C 55 39.347 39.347 39.186 0.161 19710 2933 1 9 . 1 1 55 55 PHE H H 55 7.784 7.784 8.265 -0.481 19710 2934 1 9 . 1 1 56 56 ASN N N 56 117.284 117.284 116.650 0.634 19710 2935 1 9 . 1 1 56 56 ASN HA H 56 4.349 4.349 4.415 -0.066 19710 2936 1 9 . 1 1 56 56 ASN C C 56 177.227 177.227 177.136 0.091 19710 2937 1 9 . 1 1 56 56 ASN CA C 56 54.592 54.592 55.262 -0.670 19710 2938 1 9 . 1 1 56 56 ASN CB C 56 37.947 37.947 38.595 -0.648 19710 2939 1 9 . 1 1 56 56 ASN H H 56 8.563 8.563 7.948 0.615 19710 2940 1 9 . 1 1 57 57 GLY N N 57 107.640 107.640 106.520 1.120 19710 2941 1 9 . 1 1 57 57 GLY C C 57 174.906 174.906 175.441 -0.535 19710 2942 1 9 . 1 1 57 57 GLY CA C 57 46.079 46.079 46.666 -0.587 19710 2943 1 9 . 1 1 57 57 GLY H H 57 7.890 7.890 7.620 0.270 19710 2944 1 9 . 1 1 58 58 LEU N N 58 120.735 120.735 115.793 4.942 19710 2945 1 9 . 1 1 58 58 LEU HA H 58 4.110 4.110 4.453 -0.343 19710 2946 1 9 . 1 1 58 58 LEU C C 58 177.607 177.607 177.389 0.218 19710 2947 1 9 . 1 1 58 58 LEU CA C 58 55.836 55.836 56.245 -0.409 19710 2948 1 9 . 1 1 58 58 LEU CB C 58 42.340 42.340 42.088 0.252 19710 2949 1 9 . 1 1 58 58 LEU H H 58 7.528 7.528 7.753 -0.225 19710 2950 1 9 . 1 1 59 59 HIS N N 59 118.359 118.359 116.648 1.711 19710 2951 1 9 . 1 1 59 59 HIS HA H 59 4.417 4.417 4.550 -0.133 19710 2952 1 9 . 1 1 59 59 HIS C C 59 175.499 175.499 173.634 1.865 19710 2953 1 9 . 1 1 59 59 HIS CA C 59 56.604 56.604 55.840 0.764 19710 2954 1 9 . 1 1 59 59 HIS CB C 59 30.480 30.480 31.273 -0.793 19710 2955 1 9 . 1 1 59 59 HIS H H 59 7.875 7.875 7.893 -0.018 19710 2956 1 9 . 1 1 60 60 MET N N 60 120.255 120.255 118.971 1.284 19710 2957 1 9 . 1 1 60 60 MET HA H 60 4.365 4.365 4.561 -0.196 19710 2958 1 9 . 1 1 60 60 MET CA C 60 55.643 55.643 54.135 1.508 19710 2959 1 9 . 1 1 60 60 MET CB C 60 32.684 32.684 35.280 -2.596 19710 2960 1 9 . 1 1 60 60 MET H H 60 7.884 7.884 7.391 0.493 19710 2961 1 9 . 1 1 62 62 LYS HA H 62 4.301 4.301 4.069 0.232 19710 2962 1 9 . 1 1 62 62 LYS C C 62 176.168 176.168 175.113 1.055 19710 2963 1 9 . 1 1 62 62 LYS CA C 62 56.312 56.312 56.677 -0.365 19710 2964 1 9 . 1 1 62 62 LYS CB C 62 32.975 32.975 32.431 0.544 19710 2965 1 9 . 1 1 63 63 ASP N N 63 121.259 121.259 124.031 -2.772 19710 2966 1 9 . 1 1 63 63 ASP HA H 63 4.540 4.540 4.732 -0.192 19710 2967 1 9 . 1 1 63 63 ASP C C 63 175.024 175.024 176.019 -0.995 19710 2968 1 9 . 1 1 63 63 ASP CA C 63 54.569 54.569 54.273 0.296 19710 2969 1 9 . 1 1 63 63 ASP CB C 63 41.120 41.120 40.369 0.751 19710 2970 1 9 . 1 1 63 63 ASP H H 63 8.263 8.263 8.820 -0.557 19710 2971 1 10 . 1 1 2 2 ALA HA H 2 4.257 4.257 4.921 -0.664 19710 2972 1 10 . 1 1 2 2 ALA CA C 2 52.527 52.527 51.030 1.497 19710 2973 1 10 . 1 1 2 2 ALA CB C 2 19.363 19.363 20.951 -1.588 19710 2974 1 10 . 1 1 4 4 GLY C C 4 173.756 173.756 174.535 -0.779 19710 2975 1 10 . 1 1 4 4 GLY CA C 4 45.291 45.291 46.341 -1.050 19710 2976 1 10 . 1 1 5 5 ASP N N 5 120.203 120.203 124.681 -4.478 19710 2977 1 10 . 1 1 5 5 ASP HA H 5 4.451 4.451 4.009 0.442 19710 2978 1 10 . 1 1 5 5 ASP C C 5 175.671 175.671 176.671 -1.000 19710 2979 1 10 . 1 1 5 5 ASP CA C 5 54.422 54.422 54.323 0.099 19710 2980 1 10 . 1 1 5 5 ASP CB C 5 41.179 41.179 40.977 0.202 19710 2981 1 10 . 1 1 5 5 ASP H H 5 8.028 8.028 8.330 -0.302 19710 2982 1 10 . 1 1 6 6 LEU N N 6 121.200 121.200 123.016 -1.816 19710 2983 1 10 . 1 1 6 6 LEU HA H 6 4.135 4.135 4.553 -0.418 19710 2984 1 10 . 1 1 6 6 LEU C C 6 176.638 176.638 176.487 0.151 19710 2985 1 10 . 1 1 6 6 LEU CA C 6 55.097 55.097 53.702 1.395 19710 2986 1 10 . 1 1 6 6 LEU CB C 6 42.364 42.364 39.754 2.610 19710 2987 1 10 . 1 1 6 6 LEU H H 6 7.873 7.873 7.317 0.556 19710 2988 1 10 . 1 1 7 7 TYR N N 7 121.938 121.938 119.761 2.177 19710 2989 1 10 . 1 1 7 7 TYR HA H 7 4.631 4.631 4.002 0.629 19710 2990 1 10 . 1 1 7 7 TYR C C 7 175.047 175.047 176.574 -1.527 19710 2991 1 10 . 1 1 7 7 TYR CA C 7 57.261 57.261 61.510 -4.249 19710 2992 1 10 . 1 1 7 7 TYR CB C 7 38.921 38.921 38.458 0.463 19710 2993 1 10 . 1 1 7 7 TYR H H 7 8.011 8.011 6.655 1.356 19710 2994 1 10 . 1 1 8 8 GLU N N 8 122.393 122.393 116.799 5.594 19710 2995 1 10 . 1 1 8 8 GLU HA H 8 4.769 4.769 4.624 0.145 19710 2996 1 10 . 1 1 8 8 GLU C C 8 175.583 175.583 174.753 0.830 19710 2997 1 10 . 1 1 8 8 GLU CA C 8 54.988 54.988 55.536 -0.548 19710 2998 1 10 . 1 1 8 8 GLU CB C 8 32.551 32.551 32.222 0.329 19710 2999 1 10 . 1 1 8 8 GLU H H 8 9.047 9.047 8.299 0.748 19710 3000 1 10 . 1 1 9 9 VAL N N 9 126.546 126.546 123.150 3.396 19710 3001 1 10 . 1 1 9 9 VAL HA H 9 3.092 3.092 4.464 -1.372 19710 3002 1 10 . 1 1 9 9 VAL C C 9 175.170 175.170 175.219 -0.049 19710 3003 1 10 . 1 1 9 9 VAL CA C 9 64.309 64.309 60.323 3.986 19710 3004 1 10 . 1 1 9 9 VAL CB C 9 32.983 32.983 32.638 0.345 19710 3005 1 10 . 1 1 9 9 VAL H H 9 8.677 8.677 8.525 0.152 19710 3006 1 10 . 1 1 10 10 GLU N N 10 126.674 126.674 127.474 -0.800 19710 3007 1 10 . 1 1 10 10 GLU HA H 10 4.234 4.234 4.328 -0.094 19710 3008 1 10 . 1 1 10 10 GLU C C 10 175.505 175.505 176.576 -1.071 19710 3009 1 10 . 1 1 10 10 GLU CA C 10 57.459 57.459 58.664 -1.205 19710 3010 1 10 . 1 1 10 10 GLU CB C 10 31.296 31.296 31.095 0.201 19710 3011 1 10 . 1 1 10 10 GLU H H 10 9.120 9.120 8.756 0.364 19710 3012 1 10 . 1 1 11 11 ARG N N 11 111.321 111.321 111.750 -0.429 19710 3013 1 10 . 1 1 11 11 ARG HA H 11 4.115 4.115 4.631 -0.516 19710 3014 1 10 . 1 1 11 11 ARG C C 11 172.330 172.330 174.007 -1.677 19710 3015 1 10 . 1 1 11 11 ARG CA C 11 54.723 54.723 55.084 -0.361 19710 3016 1 10 . 1 1 11 11 ARG CB C 11 32.309 32.309 31.765 0.544 19710 3017 1 10 . 1 1 11 11 ARG H H 11 7.476 7.476 7.584 -0.108 19710 3018 1 10 . 1 1 12 12 ILE N N 12 120.610 120.610 120.457 0.153 19710 3019 1 10 . 1 1 12 12 ILE HA H 12 4.085 4.085 3.989 0.096 19710 3020 1 10 . 1 1 12 12 ILE C C 12 175.353 175.353 176.309 -0.956 19710 3021 1 10 . 1 1 12 12 ILE CA C 12 60.515 60.515 62.097 -1.582 19710 3022 1 10 . 1 1 12 12 ILE CB C 12 38.338 38.338 37.573 0.765 19710 3023 1 10 . 1 1 12 12 ILE H H 12 8.295 8.295 8.676 -0.381 19710 3024 1 10 . 1 1 13 13 VAL N N 13 122.026 122.026 128.464 -6.438 19710 3025 1 10 . 1 1 13 13 VAL HA H 13 4.047 4.047 3.816 0.231 19710 3026 1 10 . 1 1 13 13 VAL C C 13 175.311 175.311 175.889 -0.578 19710 3027 1 10 . 1 1 13 13 VAL CA C 13 62.460 62.460 65.016 -2.556 19710 3028 1 10 . 1 1 13 13 VAL CB C 13 33.344 33.344 32.506 0.838 19710 3029 1 10 . 1 1 13 13 VAL H H 13 8.939 8.939 8.656 0.283 19710 3030 1 10 . 1 1 14 14 ASP N N 14 117.407 117.407 114.073 3.334 19710 3031 1 10 . 1 1 14 14 ASP HA H 14 4.776 4.776 4.985 -0.209 19710 3032 1 10 . 1 1 14 14 ASP C C 14 173.374 173.374 173.710 -0.336 19710 3033 1 10 . 1 1 14 14 ASP CA C 14 53.034 53.034 53.008 0.026 19710 3034 1 10 . 1 1 14 14 ASP CB C 14 43.749 43.749 43.148 0.601 19710 3035 1 10 . 1 1 14 14 ASP H H 14 7.236 7.236 7.817 -0.581 19710 3036 1 10 . 1 1 15 15 LYS N N 15 118.628 118.628 118.327 0.301 19710 3037 1 10 . 1 1 15 15 LYS HA H 15 5.517 5.517 4.481 1.036 19710 3038 1 10 . 1 1 15 15 LYS C C 15 173.885 173.885 175.106 -1.221 19710 3039 1 10 . 1 1 15 15 LYS CA C 15 55.716 55.716 54.433 1.283 19710 3040 1 10 . 1 1 15 15 LYS CB C 15 37.575 37.575 35.483 2.092 19710 3041 1 10 . 1 1 15 15 LYS H H 15 9.430 9.430 8.413 1.017 19710 3042 1 10 . 1 1 16 16 ARG N N 16 120.175 120.175 117.379 2.796 19710 3043 1 10 . 1 1 16 16 ARG HA H 16 4.872 4.872 4.526 0.346 19710 3044 1 10 . 1 1 16 16 ARG C C 16 172.365 172.365 173.537 -1.172 19710 3045 1 10 . 1 1 16 16 ARG CA C 16 54.680 54.680 55.250 -0.570 19710 3046 1 10 . 1 1 16 16 ARG CB C 16 32.460 32.460 32.060 0.400 19710 3047 1 10 . 1 1 16 16 ARG H H 16 9.326 9.326 8.573 0.753 19710 3048 1 10 . 1 1 17 17 LYS N N 17 122.374 122.374 119.635 2.739 19710 3049 1 10 . 1 1 17 17 LYS HA H 17 4.306 4.306 4.988 -0.682 19710 3050 1 10 . 1 1 17 17 LYS C C 17 176.978 176.978 176.361 0.617 19710 3051 1 10 . 1 1 17 17 LYS CA C 17 54.557 54.557 54.066 0.491 19710 3052 1 10 . 1 1 17 17 LYS CB C 17 33.310 33.310 34.240 -0.930 19710 3053 1 10 . 1 1 17 17 LYS H H 17 8.480 8.480 8.358 0.122 19710 3054 1 10 . 1 1 18 18 ASN N N 18 123.092 123.092 123.349 -0.257 19710 3055 1 10 . 1 1 18 18 ASN HA H 18 4.482 4.482 4.460 0.022 19710 3056 1 10 . 1 1 18 18 ASN CA C 18 50.611 50.611 53.269 -2.658 19710 3057 1 10 . 1 1 18 18 ASN CB C 18 39.055 39.055 40.084 -1.029 19710 3058 1 10 . 1 1 18 18 ASN H H 18 8.736 8.736 8.385 0.351 19710 3059 1 10 . 1 1 19 19 LYS HA H 19 3.939 3.939 4.063 -0.124 19710 3060 1 10 . 1 1 19 19 LYS C C 19 177.548 177.548 177.370 0.178 19710 3061 1 10 . 1 1 19 19 LYS CA C 19 58.543 58.543 58.577 -0.034 19710 3062 1 10 . 1 1 19 19 LYS CB C 19 31.933 31.933 31.959 -0.026 19710 3063 1 10 . 1 1 20 20 LYS N N 20 117.362 117.362 117.569 -0.207 19710 3064 1 10 . 1 1 20 20 LYS HA H 20 4.262 4.262 4.241 0.021 19710 3065 1 10 . 1 1 20 20 LYS C C 20 176.514 176.514 176.799 -0.285 19710 3066 1 10 . 1 1 20 20 LYS CA C 20 55.489 55.489 55.428 0.061 19710 3067 1 10 . 1 1 20 20 LYS CB C 20 32.105 32.105 31.916 0.189 19710 3068 1 10 . 1 1 20 20 LYS H H 20 7.491 7.491 7.815 -0.324 19710 3069 1 10 . 1 1 21 21 GLY N N 21 107.275 107.275 108.829 -1.554 19710 3070 1 10 . 1 1 21 21 GLY C C 21 173.503 173.503 173.765 -0.262 19710 3071 1 10 . 1 1 21 21 GLY CA C 21 45.413 45.413 45.784 -0.371 19710 3072 1 10 . 1 1 21 21 GLY H H 21 7.966 7.966 7.610 0.356 19710 3073 1 10 . 1 1 22 22 LYS N N 22 119.753 119.753 118.611 1.142 19710 3074 1 10 . 1 1 22 22 LYS HA H 22 4.380 4.380 4.189 0.191 19710 3075 1 10 . 1 1 22 22 LYS C C 22 175.319 175.319 176.365 -1.046 19710 3076 1 10 . 1 1 22 22 LYS CA C 22 53.197 53.197 54.385 -1.188 19710 3077 1 10 . 1 1 22 22 LYS CB C 22 33.531 33.531 33.577 -0.046 19710 3078 1 10 . 1 1 22 22 LYS H H 22 7.457 7.457 7.687 -0.230 19710 3079 1 10 . 1 1 23 23 TRP N N 23 120.227 120.227 122.513 -2.286 19710 3080 1 10 . 1 1 23 23 TRP HA H 23 4.837 4.837 4.633 0.204 19710 3081 1 10 . 1 1 23 23 TRP C C 23 176.246 176.246 176.196 0.050 19710 3082 1 10 . 1 1 23 23 TRP CA C 23 57.338 57.338 57.577 -0.239 19710 3083 1 10 . 1 1 23 23 TRP CB C 23 31.142 31.142 29.283 1.859 19710 3084 1 10 . 1 1 23 23 TRP H H 23 8.564 8.564 8.636 -0.072 19710 3085 1 10 . 1 1 24 24 GLU N N 24 120.044 120.044 121.319 -1.275 19710 3086 1 10 . 1 1 24 24 GLU HA H 24 4.921 4.921 4.993 -0.072 19710 3087 1 10 . 1 1 24 24 GLU C C 24 174.505 174.505 175.321 -0.816 19710 3088 1 10 . 1 1 24 24 GLU CA C 24 54.223 54.223 54.470 -0.247 19710 3089 1 10 . 1 1 24 24 GLU CB C 24 33.711 33.711 33.989 -0.278 19710 3090 1 10 . 1 1 24 24 GLU H H 24 9.257 9.257 8.455 0.802 19710 3091 1 10 . 1 1 25 25 TYR N N 25 118.993 118.993 120.554 -1.561 19710 3092 1 10 . 1 1 25 25 TYR HA H 25 5.017 5.017 4.624 0.393 19710 3093 1 10 . 1 1 25 25 TYR C C 25 173.068 173.068 174.192 -1.124 19710 3094 1 10 . 1 1 25 25 TYR CA C 25 57.173 57.173 57.082 0.091 19710 3095 1 10 . 1 1 25 25 TYR CB C 25 41.873 41.873 41.477 0.396 19710 3096 1 10 . 1 1 25 25 TYR H H 25 9.119 9.119 9.170 -0.051 19710 3097 1 10 . 1 1 26 26 LEU N N 26 128.028 128.028 125.872 2.156 19710 3098 1 10 . 1 1 26 26 LEU HA H 26 3.632 3.632 4.395 -0.763 19710 3099 1 10 . 1 1 26 26 LEU C C 26 173.813 173.813 175.171 -1.358 19710 3100 1 10 . 1 1 26 26 LEU CA C 26 53.371 53.371 54.951 -1.580 19710 3101 1 10 . 1 1 26 26 LEU CB C 26 39.946 39.946 42.026 -2.079 19710 3102 1 10 . 1 1 26 26 LEU H H 26 7.788 7.788 8.127 -0.339 19710 3103 1 10 . 1 1 27 27 ILE N N 27 130.050 130.050 126.968 3.082 19710 3104 1 10 . 1 1 27 27 ILE HA H 27 3.604 3.604 4.521 -0.917 19710 3105 1 10 . 1 1 27 27 ILE C C 27 173.398 173.398 174.121 -0.723 19710 3106 1 10 . 1 1 27 27 ILE CA C 27 58.760 58.760 58.239 0.521 19710 3107 1 10 . 1 1 27 27 ILE CB C 27 38.186 38.186 40.164 -1.978 19710 3108 1 10 . 1 1 27 27 ILE H H 27 8.752 8.752 9.015 -0.263 19710 3109 1 10 . 1 1 28 28 ARG N N 28 123.071 123.071 120.635 2.436 19710 3110 1 10 . 1 1 28 28 ARG HA H 28 4.474 4.474 4.641 -0.167 19710 3111 1 10 . 1 1 28 28 ARG C C 28 174.476 174.476 174.907 -0.431 19710 3112 1 10 . 1 1 28 28 ARG CA C 28 52.104 52.104 54.046 -1.942 19710 3113 1 10 . 1 1 28 28 ARG CB C 28 29.007 29.007 32.150 -3.143 19710 3114 1 10 . 1 1 28 28 ARG H H 28 7.453 7.453 8.225 -0.772 19710 3115 1 10 . 1 1 29 29 TRP N N 29 132.787 132.787 124.336 8.451 19710 3116 1 10 . 1 1 29 29 TRP HA H 29 4.731 4.731 4.716 0.015 19710 3117 1 10 . 1 1 29 29 TRP C C 29 176.623 176.623 176.545 0.078 19710 3118 1 10 . 1 1 29 29 TRP CA C 29 55.653 55.653 56.710 -1.057 19710 3119 1 10 . 1 1 29 29 TRP CB C 29 31.065 31.065 30.420 0.645 19710 3120 1 10 . 1 1 29 29 TRP H H 29 9.197 9.197 8.576 0.621 19710 3121 1 10 . 1 1 30 30 LYS N N 30 122.843 122.843 122.838 0.005 19710 3122 1 10 . 1 1 30 30 LYS HA H 30 4.212 4.212 4.224 -0.012 19710 3123 1 10 . 1 1 30 30 LYS C C 30 177.688 177.688 177.657 0.031 19710 3124 1 10 . 1 1 30 30 LYS CA C 30 58.203 58.203 58.120 0.083 19710 3125 1 10 . 1 1 30 30 LYS CB C 30 33.152 33.152 32.931 0.221 19710 3126 1 10 . 1 1 30 30 LYS H H 30 9.134 9.134 8.614 0.520 19710 3127 1 10 . 1 1 31 31 GLY N N 31 113.057 113.057 112.729 0.328 19710 3128 1 10 . 1 1 31 31 GLY C C 31 173.562 173.562 173.914 -0.352 19710 3129 1 10 . 1 1 31 31 GLY CA C 31 44.973 44.973 45.419 -0.446 19710 3130 1 10 . 1 1 31 31 GLY H H 31 8.646 8.646 8.895 -0.249 19710 3131 1 10 . 1 1 32 32 TYR N N 32 119.993 119.993 119.981 0.012 19710 3132 1 10 . 1 1 32 32 TYR HA H 32 4.620 4.620 4.763 -0.143 19710 3133 1 10 . 1 1 32 32 TYR C C 32 175.254 175.254 176.667 -1.413 19710 3134 1 10 . 1 1 32 32 TYR CA C 32 57.742 57.742 59.028 -1.286 19710 3135 1 10 . 1 1 32 32 TYR CB C 32 40.377 40.377 40.026 0.351 19710 3136 1 10 . 1 1 32 32 TYR H H 32 8.119 8.119 7.664 0.455 19710 3137 1 10 . 1 1 33 33 GLY N N 33 106.930 106.930 107.272 -0.342 19710 3138 1 10 . 1 1 33 33 GLY CA C 33 44.052 44.052 46.098 -2.046 19710 3139 1 10 . 1 1 33 33 GLY H H 33 8.510 8.510 8.450 0.060 19710 3140 1 10 . 1 1 34 34 SER HA H 34 4.437 4.437 4.367 0.070 19710 3141 1 10 . 1 1 34 34 SER C C 34 176.594 176.594 177.023 -0.429 19710 3142 1 10 . 1 1 34 34 SER CA C 34 60.033 60.033 61.019 -0.986 19710 3143 1 10 . 1 1 34 34 SER CB C 34 63.310 63.310 63.111 0.199 19710 3144 1 10 . 1 1 35 35 THR N N 35 113.722 113.722 114.736 -1.014 19710 3145 1 10 . 1 1 35 35 THR HA H 35 4.117 4.117 4.139 -0.022 19710 3146 1 10 . 1 1 35 35 THR C C 35 175.474 175.474 175.795 -0.321 19710 3147 1 10 . 1 1 35 35 THR CA C 35 63.751 63.751 64.420 -0.669 19710 3148 1 10 . 1 1 35 35 THR CB C 35 68.542 68.542 69.123 -0.581 19710 3149 1 10 . 1 1 35 35 THR H H 35 7.788 7.788 8.172 -0.384 19710 3150 1 10 . 1 1 36 36 GLU N N 36 120.073 120.073 120.651 -0.578 19710 3151 1 10 . 1 1 36 36 GLU HA H 36 4.386 4.386 4.275 0.111 19710 3152 1 10 . 1 1 36 36 GLU C C 36 175.013 175.013 176.547 -1.534 19710 3153 1 10 . 1 1 36 36 GLU CA C 36 55.865 55.865 57.047 -1.182 19710 3154 1 10 . 1 1 36 36 GLU CB C 36 29.794 29.794 30.308 -0.514 19710 3155 1 10 . 1 1 36 36 GLU H H 36 7.825 7.825 7.475 0.350 19710 3156 1 10 . 1 1 37 37 ASP N N 37 121.647 121.647 121.141 0.506 19710 3157 1 10 . 1 1 37 37 ASP HA H 37 5.075 5.075 4.228 0.847 19710 3158 1 10 . 1 1 37 37 ASP C C 37 178.071 178.071 175.363 2.708 19710 3159 1 10 . 1 1 37 37 ASP CA C 37 55.606 55.606 55.684 -0.078 19710 3160 1 10 . 1 1 37 37 ASP CB C 37 39.712 39.712 38.904 0.808 19710 3161 1 10 . 1 1 37 37 ASP H H 37 7.386 7.386 7.920 -0.534 19710 3162 1 10 . 1 1 38 38 THR N N 38 111.963 111.963 114.146 -2.183 19710 3163 1 10 . 1 1 38 38 THR HA H 38 4.675 4.675 4.231 0.444 19710 3164 1 10 . 1 1 38 38 THR C C 38 173.399 173.399 173.804 -0.405 19710 3165 1 10 . 1 1 38 38 THR CA C 38 59.483 59.483 60.234 -0.751 19710 3166 1 10 . 1 1 38 38 THR CB C 38 71.810 71.810 70.665 1.145 19710 3167 1 10 . 1 1 38 38 THR H H 38 7.821 7.821 8.085 -0.264 19710 3168 1 10 . 1 1 39 39 TRP N N 39 123.340 123.340 127.334 -3.994 19710 3169 1 10 . 1 1 39 39 TRP HA H 39 4.835 4.835 5.118 -0.283 19710 3170 1 10 . 1 1 39 39 TRP C C 39 177.090 177.090 175.726 1.364 19710 3171 1 10 . 1 1 39 39 TRP CA C 39 56.443 56.443 55.960 0.483 19710 3172 1 10 . 1 1 39 39 TRP CB C 39 29.574 29.574 29.175 0.398 19710 3173 1 10 . 1 1 39 39 TRP H H 39 8.546 8.546 8.670 -0.124 19710 3174 1 10 . 1 1 40 40 GLU N N 40 124.822 124.822 124.687 0.135 19710 3175 1 10 . 1 1 40 40 GLU HA H 40 5.196 5.196 4.962 0.234 19710 3176 1 10 . 1 1 40 40 GLU CA C 40 51.859 51.859 52.792 -0.933 19710 3177 1 10 . 1 1 40 40 GLU CB C 40 31.934 31.934 30.749 1.185 19710 3178 1 10 . 1 1 40 40 GLU H H 40 9.710 9.710 8.706 1.004 19710 3179 1 10 . 1 1 41 41 PRO HA H 41 4.783 4.783 5.122 -0.339 19710 3180 1 10 . 1 1 41 41 PRO C C 41 178.201 178.201 178.328 -0.127 19710 3181 1 10 . 1 1 41 41 PRO CA C 41 62.030 62.030 62.595 -0.565 19710 3182 1 10 . 1 1 41 41 PRO CB C 41 32.833 32.833 33.229 -0.396 19710 3183 1 10 . 1 1 42 42 GLU N N 42 118.959 118.959 123.988 -5.029 19710 3184 1 10 . 1 1 42 42 GLU HA H 42 3.984 3.984 4.032 -0.048 19710 3185 1 10 . 1 1 42 42 GLU C C 42 177.841 177.841 178.537 -0.696 19710 3186 1 10 . 1 1 42 42 GLU CA C 42 60.156 60.156 60.017 0.140 19710 3187 1 10 . 1 1 42 42 GLU CB C 42 30.554 30.554 29.708 0.846 19710 3188 1 10 . 1 1 42 42 GLU H H 42 8.531 8.531 8.552 -0.021 19710 3189 1 10 . 1 1 43 43 HIS N N 43 113.679 113.679 114.432 -0.753 19710 3190 1 10 . 1 1 43 43 HIS HA H 43 4.592 4.592 4.421 0.171 19710 3191 1 10 . 1 1 43 43 HIS C C 43 176.547 176.547 176.027 0.520 19710 3192 1 10 . 1 1 43 43 HIS CA C 43 58.187 58.187 57.932 0.255 19710 3193 1 10 . 1 1 43 43 HIS CB C 43 29.362 29.362 29.540 -0.178 19710 3194 1 10 . 1 1 43 43 HIS H H 43 7.998 7.998 8.779 -0.781 19710 3195 1 10 . 1 1 44 44 HIS N N 44 119.428 119.428 115.147 4.281 19710 3196 1 10 . 1 1 44 44 HIS HA H 44 4.886 4.886 4.849 0.037 19710 3197 1 10 . 1 1 44 44 HIS C C 44 175.566 175.566 175.335 0.231 19710 3198 1 10 . 1 1 44 44 HIS CA C 44 55.392 55.392 55.522 -0.130 19710 3199 1 10 . 1 1 44 44 HIS CB C 44 30.049 30.049 32.236 -2.187 19710 3200 1 10 . 1 1 44 44 HIS H H 44 7.755 7.755 7.762 -0.007 19710 3201 1 10 . 1 1 45 45 LEU N N 45 119.789 119.789 118.662 1.127 19710 3202 1 10 . 1 1 45 45 LEU HA H 45 4.580 4.580 4.205 0.375 19710 3203 1 10 . 1 1 45 45 LEU C C 45 176.926 176.926 175.909 1.017 19710 3204 1 10 . 1 1 45 45 LEU CA C 45 53.930 53.930 57.305 -3.375 19710 3205 1 10 . 1 1 45 45 LEU CB C 45 42.010 42.010 42.724 -0.714 19710 3206 1 10 . 1 1 45 45 LEU H H 45 7.601 7.601 7.646 -0.045 19710 3207 1 10 . 1 1 46 46 LEU N N 46 121.462 121.462 114.200 7.262 19710 3208 1 10 . 1 1 46 46 LEU HA H 46 4.100 4.100 4.512 -0.412 19710 3209 1 10 . 1 1 46 46 LEU CA C 46 56.925 56.925 54.097 2.828 19710 3210 1 10 . 1 1 46 46 LEU CB C 46 41.703 41.703 44.802 -3.099 19710 3211 1 10 . 1 1 46 46 LEU H H 46 7.696 7.696 7.518 0.178 19710 3212 1 10 . 1 1 47 47 HIS HA H 47 4.742 4.742 4.601 0.141 19710 3213 1 10 . 1 1 47 47 HIS C C 47 175.940 175.940 174.581 1.359 19710 3214 1 10 . 1 1 47 47 HIS CA C 47 56.483 56.483 56.707 -0.224 19710 3215 1 10 . 1 1 47 47 HIS CB C 47 29.209 29.209 30.920 -1.711 19710 3216 1 10 . 1 1 48 48 CYS N N 48 118.214 118.214 120.259 -2.045 19710 3217 1 10 . 1 1 48 48 CYS HA H 48 4.902 4.902 4.618 0.284 19710 3218 1 10 . 1 1 48 48 CYS C C 48 174.988 174.988 174.953 0.035 19710 3219 1 10 . 1 1 48 48 CYS CA C 48 57.439 57.439 57.702 -0.263 19710 3220 1 10 . 1 1 48 48 CYS CB C 48 28.038 28.038 30.142 -2.104 19710 3221 1 10 . 1 1 48 48 CYS H H 48 7.823 7.823 7.905 -0.082 19710 3222 1 10 . 1 1 49 49 GLU N N 49 122.478 122.478 126.133 -3.655 19710 3223 1 10 . 1 1 49 49 GLU HA H 49 3.718 3.718 3.951 -0.233 19710 3224 1 10 . 1 1 49 49 GLU C C 49 177.607 177.607 177.485 0.122 19710 3225 1 10 . 1 1 49 49 GLU CA C 49 60.496 60.496 58.414 2.082 19710 3226 1 10 . 1 1 49 49 GLU CB C 49 29.391 29.391 29.334 0.057 19710 3227 1 10 . 1 1 49 49 GLU H H 49 8.524 8.524 9.040 -0.516 19710 3228 1 10 . 1 1 50 50 GLU N N 50 118.424 118.424 118.062 0.362 19710 3229 1 10 . 1 1 50 50 GLU HA H 50 4.035 4.035 3.982 0.053 19710 3230 1 10 . 1 1 50 50 GLU C C 50 178.942 178.942 178.452 0.490 19710 3231 1 10 . 1 1 50 50 GLU CA C 50 59.341 59.341 58.747 0.594 19710 3232 1 10 . 1 1 50 50 GLU CB C 50 28.492 28.492 28.541 -0.049 19710 3233 1 10 . 1 1 50 50 GLU H H 50 9.192 9.192 8.705 0.487 19710 3234 1 10 . 1 1 51 51 PHE N N 51 117.631 117.631 117.916 -0.285 19710 3235 1 10 . 1 1 51 51 PHE HA H 51 4.345 4.345 4.369 -0.024 19710 3236 1 10 . 1 1 51 51 PHE C C 51 179.013 179.013 177.941 1.072 19710 3237 1 10 . 1 1 51 51 PHE CA C 51 59.916 59.916 61.004 -1.088 19710 3238 1 10 . 1 1 51 51 PHE CB C 51 38.425 38.425 38.763 -0.338 19710 3239 1 10 . 1 1 51 51 PHE H H 51 7.350 7.350 7.333 0.017 19710 3240 1 10 . 1 1 52 52 ILE N N 52 123.512 123.512 119.278 4.234 19710 3241 1 10 . 1 1 52 52 ILE HA H 52 3.260 3.260 3.700 -0.440 19710 3242 1 10 . 1 1 52 52 ILE C C 52 177.036 177.036 177.659 -0.623 19710 3243 1 10 . 1 1 52 52 ILE CA C 52 65.356 65.356 64.529 0.827 19710 3244 1 10 . 1 1 52 52 ILE CB C 52 38.172 38.172 37.417 0.755 19710 3245 1 10 . 1 1 52 52 ILE H H 52 7.625 7.625 7.815 -0.190 19710 3246 1 10 . 1 1 53 53 ASP N N 53 120.257 120.257 119.928 0.329 19710 3247 1 10 . 1 1 53 53 ASP HA H 53 4.302 4.302 4.338 -0.036 19710 3248 1 10 . 1 1 53 53 ASP C C 53 179.243 179.243 178.254 0.989 19710 3249 1 10 . 1 1 53 53 ASP CA C 53 57.343 57.343 57.782 -0.439 19710 3250 1 10 . 1 1 53 53 ASP CB C 53 40.085 40.085 40.971 -0.886 19710 3251 1 10 . 1 1 53 53 ASP H H 53 8.144 8.144 8.062 0.082 19710 3252 1 10 . 1 1 54 54 GLU N N 54 119.707 119.707 119.444 0.263 19710 3253 1 10 . 1 1 54 54 GLU HA H 54 3.944 3.944 4.043 -0.099 19710 3254 1 10 . 1 1 54 54 GLU C C 54 178.652 178.652 178.671 -0.019 19710 3255 1 10 . 1 1 54 54 GLU CA C 54 59.071 59.071 58.714 0.357 19710 3256 1 10 . 1 1 54 54 GLU CB C 54 29.765 29.765 29.213 0.552 19710 3257 1 10 . 1 1 54 54 GLU H H 54 7.875 7.875 7.946 -0.071 19710 3258 1 10 . 1 1 55 55 PHE N N 55 120.573 120.573 122.078 -1.505 19710 3259 1 10 . 1 1 55 55 PHE HA H 55 4.138 4.138 4.245 -0.107 19710 3260 1 10 . 1 1 55 55 PHE C C 55 177.460 177.460 176.945 0.515 19710 3261 1 10 . 1 1 55 55 PHE CA C 55 61.425 61.425 60.333 1.092 19710 3262 1 10 . 1 1 55 55 PHE CB C 55 39.347 39.347 39.343 0.004 19710 3263 1 10 . 1 1 55 55 PHE H H 55 7.784 7.784 8.034 -0.250 19710 3264 1 10 . 1 1 56 56 ASN N N 56 117.284 117.284 117.763 -0.479 19710 3265 1 10 . 1 1 56 56 ASN HA H 56 4.349 4.349 4.145 0.204 19710 3266 1 10 . 1 1 56 56 ASN C C 56 177.227 177.227 177.669 -0.442 19710 3267 1 10 . 1 1 56 56 ASN CA C 56 54.592 54.592 56.425 -1.833 19710 3268 1 10 . 1 1 56 56 ASN CB C 56 37.947 37.947 38.527 -0.580 19710 3269 1 10 . 1 1 56 56 ASN H H 56 8.563 8.563 7.966 0.597 19710 3270 1 10 . 1 1 57 57 GLY N N 57 107.640 107.640 107.733 -0.093 19710 3271 1 10 . 1 1 57 57 GLY C C 57 174.906 174.906 175.440 -0.534 19710 3272 1 10 . 1 1 57 57 GLY CA C 57 46.079 46.079 46.789 -0.710 19710 3273 1 10 . 1 1 57 57 GLY H H 57 7.890 7.890 7.704 0.186 19710 3274 1 10 . 1 1 58 58 LEU N N 58 120.735 120.735 117.784 2.951 19710 3275 1 10 . 1 1 58 58 LEU HA H 58 4.110 4.110 4.393 -0.283 19710 3276 1 10 . 1 1 58 58 LEU C C 58 177.607 177.607 177.656 -0.049 19710 3277 1 10 . 1 1 58 58 LEU CA C 58 55.836 55.836 57.071 -1.235 19710 3278 1 10 . 1 1 58 58 LEU CB C 58 42.340 42.340 41.615 0.725 19710 3279 1 10 . 1 1 58 58 LEU H H 58 7.528 7.528 7.601 -0.073 19710 3280 1 10 . 1 1 59 59 HIS N N 59 118.359 118.359 117.778 0.581 19710 3281 1 10 . 1 1 59 59 HIS HA H 59 4.417 4.417 4.450 -0.033 19710 3282 1 10 . 1 1 59 59 HIS C C 59 175.499 175.499 175.142 0.357 19710 3283 1 10 . 1 1 59 59 HIS CA C 59 56.604 56.604 57.716 -1.112 19710 3284 1 10 . 1 1 59 59 HIS CB C 59 30.480 30.480 31.996 -1.516 19710 3285 1 10 . 1 1 59 59 HIS H H 59 7.875 7.875 7.859 0.016 19710 3286 1 10 . 1 1 60 60 MET N N 60 120.255 120.255 121.617 -1.362 19710 3287 1 10 . 1 1 60 60 MET HA H 60 4.365 4.365 4.567 -0.202 19710 3288 1 10 . 1 1 60 60 MET CA C 60 55.643 55.643 53.968 1.675 19710 3289 1 10 . 1 1 60 60 MET CB C 60 32.684 32.684 32.780 -0.096 19710 3290 1 10 . 1 1 60 60 MET H H 60 7.884 7.884 7.373 0.511 19710 3291 1 10 . 1 1 62 62 LYS HA H 62 4.301 4.301 4.383 -0.082 19710 3292 1 10 . 1 1 62 62 LYS C C 62 176.168 176.168 175.890 0.278 19710 3293 1 10 . 1 1 62 62 LYS CA C 62 56.312 56.312 55.890 0.422 19710 3294 1 10 . 1 1 62 62 LYS CB C 62 32.975 32.975 33.419 -0.444 19710 3295 1 10 . 1 1 63 63 ASP N N 63 121.259 121.259 118.715 2.544 19710 3296 1 10 . 1 1 63 63 ASP HA H 63 4.540 4.540 4.321 0.219 19710 3297 1 10 . 1 1 63 63 ASP C C 63 175.024 175.024 176.325 -1.301 19710 3298 1 10 . 1 1 63 63 ASP CA C 63 54.569 54.569 54.783 -0.214 19710 3299 1 10 . 1 1 63 63 ASP CB C 63 41.120 41.120 39.039 2.080 19710 3300 1 10 . 1 1 63 63 ASP H H 63 8.263 8.263 8.479 -0.216 19710 3301 1 11 . 1 1 2 2 ALA HA H 2 4.257 4.257 4.636 -0.379 19710 3302 1 11 . 1 1 2 2 ALA CA C 2 52.527 52.527 52.435 0.092 19710 3303 1 11 . 1 1 2 2 ALA CB C 2 19.363 19.363 18.123 1.240 19710 3304 1 11 . 1 1 4 4 GLY C C 4 173.756 173.756 174.343 -0.587 19710 3305 1 11 . 1 1 4 4 GLY CA C 4 45.291 45.291 45.568 -0.277 19710 3306 1 11 . 1 1 5 5 ASP N N 5 120.203 120.203 119.888 0.315 19710 3307 1 11 . 1 1 5 5 ASP HA H 5 4.451 4.451 4.387 0.064 19710 3308 1 11 . 1 1 5 5 ASP C C 5 175.671 175.671 175.979 -0.308 19710 3309 1 11 . 1 1 5 5 ASP CA C 5 54.422 54.422 54.709 -0.287 19710 3310 1 11 . 1 1 5 5 ASP CB C 5 41.179 41.179 40.971 0.208 19710 3311 1 11 . 1 1 5 5 ASP H H 5 8.028 8.028 8.088 -0.060 19710 3312 1 11 . 1 1 6 6 LEU N N 6 121.200 121.200 120.885 0.315 19710 3313 1 11 . 1 1 6 6 LEU HA H 6 4.135 4.135 4.384 -0.249 19710 3314 1 11 . 1 1 6 6 LEU C C 6 176.638 176.638 176.267 0.371 19710 3315 1 11 . 1 1 6 6 LEU CA C 6 55.097 55.097 53.384 1.713 19710 3316 1 11 . 1 1 6 6 LEU CB C 6 42.364 42.364 40.328 2.036 19710 3317 1 11 . 1 1 6 6 LEU H H 6 7.873 7.873 7.576 0.297 19710 3318 1 11 . 1 1 7 7 TYR N N 7 121.938 121.938 122.627 -0.689 19710 3319 1 11 . 1 1 7 7 TYR HA H 7 4.631 4.631 4.099 0.532 19710 3320 1 11 . 1 1 7 7 TYR C C 7 175.047 175.047 175.707 -0.660 19710 3321 1 11 . 1 1 7 7 TYR CA C 7 57.261 57.261 61.065 -3.804 19710 3322 1 11 . 1 1 7 7 TYR CB C 7 38.921 38.921 38.868 0.053 19710 3323 1 11 . 1 1 7 7 TYR H H 7 8.011 8.011 8.115 -0.104 19710 3324 1 11 . 1 1 8 8 GLU N N 8 122.393 122.393 116.856 5.537 19710 3325 1 11 . 1 1 8 8 GLU HA H 8 4.769 4.769 4.570 0.199 19710 3326 1 11 . 1 1 8 8 GLU C C 8 175.583 175.583 174.690 0.893 19710 3327 1 11 . 1 1 8 8 GLU CA C 8 54.988 54.988 55.628 -0.640 19710 3328 1 11 . 1 1 8 8 GLU CB C 8 32.551 32.551 32.364 0.187 19710 3329 1 11 . 1 1 8 8 GLU H H 8 9.047 9.047 8.193 0.854 19710 3330 1 11 . 1 1 9 9 VAL N N 9 126.546 126.546 123.204 3.342 19710 3331 1 11 . 1 1 9 9 VAL HA H 9 3.092 3.092 4.299 -1.207 19710 3332 1 11 . 1 1 9 9 VAL C C 9 175.170 175.170 174.764 0.406 19710 3333 1 11 . 1 1 9 9 VAL CA C 9 64.309 64.309 61.982 2.327 19710 3334 1 11 . 1 1 9 9 VAL CB C 9 32.983 32.983 32.932 0.051 19710 3335 1 11 . 1 1 9 9 VAL H H 9 8.677 8.677 8.466 0.211 19710 3336 1 11 . 1 1 10 10 GLU N N 10 126.674 126.674 127.608 -0.934 19710 3337 1 11 . 1 1 10 10 GLU HA H 10 4.234 4.234 4.266 -0.032 19710 3338 1 11 . 1 1 10 10 GLU C C 10 175.505 175.505 177.044 -1.539 19710 3339 1 11 . 1 1 10 10 GLU CA C 10 57.459 57.459 58.896 -1.437 19710 3340 1 11 . 1 1 10 10 GLU CB C 10 31.296 31.296 31.215 0.081 19710 3341 1 11 . 1 1 10 10 GLU H H 10 9.120 9.120 8.710 0.410 19710 3342 1 11 . 1 1 11 11 ARG N N 11 111.321 111.321 112.794 -1.473 19710 3343 1 11 . 1 1 11 11 ARG HA H 11 4.115 4.115 4.597 -0.482 19710 3344 1 11 . 1 1 11 11 ARG C C 11 172.330 172.330 174.159 -1.829 19710 3345 1 11 . 1 1 11 11 ARG CA C 11 54.723 54.723 55.235 -0.512 19710 3346 1 11 . 1 1 11 11 ARG CB C 11 32.309 32.309 31.353 0.956 19710 3347 1 11 . 1 1 11 11 ARG H H 11 7.476 7.476 7.712 -0.236 19710 3348 1 11 . 1 1 12 12 ILE N N 12 120.610 120.610 120.132 0.478 19710 3349 1 11 . 1 1 12 12 ILE HA H 12 4.085 4.085 4.073 0.012 19710 3350 1 11 . 1 1 12 12 ILE C C 12 175.353 175.353 176.360 -1.007 19710 3351 1 11 . 1 1 12 12 ILE CA C 12 60.515 60.515 61.785 -1.270 19710 3352 1 11 . 1 1 12 12 ILE CB C 12 38.338 38.338 37.527 0.811 19710 3353 1 11 . 1 1 12 12 ILE H H 12 8.295 8.295 8.739 -0.445 19710 3354 1 11 . 1 1 13 13 VAL N N 13 122.026 122.026 127.856 -5.830 19710 3355 1 11 . 1 1 13 13 VAL HA H 13 4.047 4.047 3.875 0.172 19710 3356 1 11 . 1 1 13 13 VAL C C 13 175.311 175.311 176.174 -0.863 19710 3357 1 11 . 1 1 13 13 VAL CA C 13 62.460 62.460 65.174 -2.714 19710 3358 1 11 . 1 1 13 13 VAL CB C 13 33.344 33.344 32.677 0.667 19710 3359 1 11 . 1 1 13 13 VAL H H 13 8.939 8.939 8.838 0.101 19710 3360 1 11 . 1 1 14 14 ASP N N 14 117.407 117.407 114.500 2.907 19710 3361 1 11 . 1 1 14 14 ASP HA H 14 4.776 4.776 5.070 -0.294 19710 3362 1 11 . 1 1 14 14 ASP C C 14 173.374 173.374 173.725 -0.351 19710 3363 1 11 . 1 1 14 14 ASP CA C 14 53.034 53.034 53.179 -0.145 19710 3364 1 11 . 1 1 14 14 ASP CB C 14 43.749 43.749 43.398 0.351 19710 3365 1 11 . 1 1 14 14 ASP H H 14 7.236 7.236 7.819 -0.584 19710 3366 1 11 . 1 1 15 15 LYS N N 15 118.628 118.628 118.315 0.313 19710 3367 1 11 . 1 1 15 15 LYS HA H 15 5.517 5.517 4.578 0.939 19710 3368 1 11 . 1 1 15 15 LYS C C 15 173.885 173.885 174.640 -0.755 19710 3369 1 11 . 1 1 15 15 LYS CA C 15 55.716 55.716 55.000 0.716 19710 3370 1 11 . 1 1 15 15 LYS CB C 15 37.575 37.575 35.675 1.900 19710 3371 1 11 . 1 1 15 15 LYS H H 15 9.430 9.430 8.470 0.960 19710 3372 1 11 . 1 1 16 16 ARG N N 16 120.175 120.175 115.890 4.285 19710 3373 1 11 . 1 1 16 16 ARG HA H 16 4.872 4.872 4.482 0.390 19710 3374 1 11 . 1 1 16 16 ARG C C 16 172.365 172.365 173.676 -1.311 19710 3375 1 11 . 1 1 16 16 ARG CA C 16 54.680 54.680 55.541 -0.861 19710 3376 1 11 . 1 1 16 16 ARG CB C 16 32.460 32.460 32.106 0.354 19710 3377 1 11 . 1 1 16 16 ARG H H 16 9.326 9.326 8.788 0.538 19710 3378 1 11 . 1 1 17 17 LYS N N 17 122.374 122.374 121.146 1.228 19710 3379 1 11 . 1 1 17 17 LYS HA H 17 4.306 4.306 4.599 -0.293 19710 3380 1 11 . 1 1 17 17 LYS C C 17 176.978 176.978 176.632 0.346 19710 3381 1 11 . 1 1 17 17 LYS CA C 17 54.557 54.557 55.008 -0.451 19710 3382 1 11 . 1 1 17 17 LYS CB C 17 33.310 33.310 33.059 0.251 19710 3383 1 11 . 1 1 17 17 LYS H H 17 8.480 8.480 8.388 0.092 19710 3384 1 11 . 1 1 18 18 ASN N N 18 123.092 123.092 123.950 -0.858 19710 3385 1 11 . 1 1 18 18 ASN HA H 18 4.482 4.482 4.434 0.048 19710 3386 1 11 . 1 1 18 18 ASN CA C 18 50.611 50.611 53.734 -3.123 19710 3387 1 11 . 1 1 18 18 ASN CB C 18 39.055 39.055 40.011 -0.956 19710 3388 1 11 . 1 1 18 18 ASN H H 18 8.736 8.736 8.277 0.459 19710 3389 1 11 . 1 1 19 19 LYS HA H 19 3.939 3.939 3.958 -0.019 19710 3390 1 11 . 1 1 19 19 LYS C C 19 177.548 177.548 178.026 -0.478 19710 3391 1 11 . 1 1 19 19 LYS CA C 19 58.543 58.543 58.659 -0.116 19710 3392 1 11 . 1 1 19 19 LYS CB C 19 31.933 31.933 32.196 -0.263 19710 3393 1 11 . 1 1 20 20 LYS N N 20 117.362 117.362 117.710 -0.348 19710 3394 1 11 . 1 1 20 20 LYS HA H 20 4.262 4.262 4.205 0.057 19710 3395 1 11 . 1 1 20 20 LYS C C 20 176.514 176.514 176.745 -0.231 19710 3396 1 11 . 1 1 20 20 LYS CA C 20 55.489 55.489 56.013 -0.524 19710 3397 1 11 . 1 1 20 20 LYS CB C 20 32.105 32.105 32.940 -0.835 19710 3398 1 11 . 1 1 20 20 LYS H H 20 7.491 7.491 8.155 -0.664 19710 3399 1 11 . 1 1 21 21 GLY N N 21 107.275 107.275 106.662 0.613 19710 3400 1 11 . 1 1 21 21 GLY C C 21 173.503 173.503 173.417 0.086 19710 3401 1 11 . 1 1 21 21 GLY CA C 21 45.413 45.413 44.870 0.543 19710 3402 1 11 . 1 1 21 21 GLY H H 21 7.966 7.966 7.458 0.508 19710 3403 1 11 . 1 1 22 22 LYS N N 22 119.753 119.753 118.937 0.816 19710 3404 1 11 . 1 1 22 22 LYS HA H 22 4.380 4.380 4.458 -0.078 19710 3405 1 11 . 1 1 22 22 LYS C C 22 175.319 175.319 176.360 -1.041 19710 3406 1 11 . 1 1 22 22 LYS CA C 22 53.197 53.197 54.541 -1.344 19710 3407 1 11 . 1 1 22 22 LYS CB C 22 33.531 33.531 33.416 0.115 19710 3408 1 11 . 1 1 22 22 LYS H H 22 7.457 7.457 7.753 -0.296 19710 3409 1 11 . 1 1 23 23 TRP N N 23 120.227 120.227 122.694 -2.467 19710 3410 1 11 . 1 1 23 23 TRP HA H 23 4.837 4.837 4.605 0.232 19710 3411 1 11 . 1 1 23 23 TRP C C 23 176.246 176.246 175.873 0.373 19710 3412 1 11 . 1 1 23 23 TRP CA C 23 57.338 57.338 57.607 -0.269 19710 3413 1 11 . 1 1 23 23 TRP CB C 23 31.142 31.142 29.309 1.833 19710 3414 1 11 . 1 1 23 23 TRP H H 23 8.564 8.564 9.175 -0.611 19710 3415 1 11 . 1 1 24 24 GLU N N 24 120.044 120.044 121.619 -1.575 19710 3416 1 11 . 1 1 24 24 GLU HA H 24 4.921 4.921 5.302 -0.381 19710 3417 1 11 . 1 1 24 24 GLU C C 24 174.505 174.505 175.334 -0.829 19710 3418 1 11 . 1 1 24 24 GLU CA C 24 54.223 54.223 54.795 -0.572 19710 3419 1 11 . 1 1 24 24 GLU CB C 24 33.711 33.711 34.361 -0.650 19710 3420 1 11 . 1 1 24 24 GLU H H 24 9.257 9.257 8.457 0.800 19710 3421 1 11 . 1 1 25 25 TYR N N 25 118.993 118.993 120.657 -1.664 19710 3422 1 11 . 1 1 25 25 TYR HA H 25 5.017 5.017 4.744 0.273 19710 3423 1 11 . 1 1 25 25 TYR C C 25 173.068 173.068 174.397 -1.329 19710 3424 1 11 . 1 1 25 25 TYR CA C 25 57.173 57.173 56.925 0.248 19710 3425 1 11 . 1 1 25 25 TYR CB C 25 41.873 41.873 41.398 0.475 19710 3426 1 11 . 1 1 25 25 TYR H H 25 9.119 9.119 9.348 -0.229 19710 3427 1 11 . 1 1 26 26 LEU N N 26 128.028 128.028 125.798 2.230 19710 3428 1 11 . 1 1 26 26 LEU HA H 26 3.632 3.632 4.129 -0.497 19710 3429 1 11 . 1 1 26 26 LEU C C 26 173.813 173.813 175.084 -1.271 19710 3430 1 11 . 1 1 26 26 LEU CA C 26 53.371 53.371 54.846 -1.476 19710 3431 1 11 . 1 1 26 26 LEU CB C 26 39.946 39.946 41.429 -1.483 19710 3432 1 11 . 1 1 26 26 LEU H H 26 7.788 7.788 8.201 -0.413 19710 3433 1 11 . 1 1 27 27 ILE N N 27 130.050 130.050 126.148 3.902 19710 3434 1 11 . 1 1 27 27 ILE HA H 27 3.604 3.604 4.687 -1.083 19710 3435 1 11 . 1 1 27 27 ILE C C 27 173.398 173.398 174.650 -1.252 19710 3436 1 11 . 1 1 27 27 ILE CA C 27 58.760 58.760 58.554 0.206 19710 3437 1 11 . 1 1 27 27 ILE CB C 27 38.186 38.186 40.006 -1.820 19710 3438 1 11 . 1 1 27 27 ILE H H 27 8.752 8.752 8.929 -0.177 19710 3439 1 11 . 1 1 28 28 ARG N N 28 123.071 123.071 121.279 1.792 19710 3440 1 11 . 1 1 28 28 ARG HA H 28 4.474 4.474 4.896 -0.422 19710 3441 1 11 . 1 1 28 28 ARG C C 28 174.476 174.476 174.398 0.078 19710 3442 1 11 . 1 1 28 28 ARG CA C 28 52.104 52.104 54.642 -2.538 19710 3443 1 11 . 1 1 28 28 ARG CB C 28 29.007 29.007 33.306 -4.300 19710 3444 1 11 . 1 1 28 28 ARG H H 28 7.453 7.453 8.320 -0.867 19710 3445 1 11 . 1 1 29 29 TRP N N 29 132.787 132.787 121.116 11.671 19710 3446 1 11 . 1 1 29 29 TRP HA H 29 4.731 4.731 5.184 -0.453 19710 3447 1 11 . 1 1 29 29 TRP C C 29 176.623 176.623 174.885 1.738 19710 3448 1 11 . 1 1 29 29 TRP CA C 29 55.653 55.653 53.837 1.816 19710 3449 1 11 . 1 1 29 29 TRP CB C 29 31.065 31.065 31.127 -0.062 19710 3450 1 11 . 1 1 29 29 TRP H H 29 9.197 9.197 8.380 0.817 19710 3451 1 11 . 1 1 30 30 LYS N N 30 122.843 122.843 123.383 -0.540 19710 3452 1 11 . 1 1 30 30 LYS HA H 30 4.212 4.212 4.022 0.190 19710 3453 1 11 . 1 1 30 30 LYS C C 30 177.688 177.688 177.215 0.473 19710 3454 1 11 . 1 1 30 30 LYS CA C 30 58.203 58.203 57.478 0.725 19710 3455 1 11 . 1 1 30 30 LYS CB C 30 33.152 33.152 32.857 0.295 19710 3456 1 11 . 1 1 30 30 LYS H H 30 9.134 9.134 8.494 0.640 19710 3457 1 11 . 1 1 31 31 GLY N N 31 113.057 113.057 111.929 1.128 19710 3458 1 11 . 1 1 31 31 GLY C C 31 173.562 173.562 173.811 -0.249 19710 3459 1 11 . 1 1 31 31 GLY CA C 31 44.973 44.973 44.792 0.181 19710 3460 1 11 . 1 1 31 31 GLY H H 31 8.646 8.646 8.668 -0.022 19710 3461 1 11 . 1 1 32 32 TYR N N 32 119.993 119.993 122.520 -2.527 19710 3462 1 11 . 1 1 32 32 TYR HA H 32 4.620 4.620 4.521 0.099 19710 3463 1 11 . 1 1 32 32 TYR C C 32 175.254 175.254 175.363 -0.109 19710 3464 1 11 . 1 1 32 32 TYR CA C 32 57.742 57.742 56.493 1.248 19710 3465 1 11 . 1 1 32 32 TYR CB C 32 40.377 40.377 39.577 0.800 19710 3466 1 11 . 1 1 32 32 TYR H H 32 8.119 8.119 7.159 0.960 19710 3467 1 11 . 1 1 33 33 GLY N N 33 106.930 106.930 111.193 -4.263 19710 3468 1 11 . 1 1 33 33 GLY CA C 33 44.052 44.052 45.078 -1.026 19710 3469 1 11 . 1 1 33 33 GLY H H 33 8.510 8.510 8.476 0.034 19710 3470 1 11 . 1 1 34 34 SER HA H 34 4.437 4.437 4.468 -0.031 19710 3471 1 11 . 1 1 34 34 SER C C 34 176.594 176.594 176.956 -0.362 19710 3472 1 11 . 1 1 34 34 SER CA C 34 60.033 60.033 61.054 -1.021 19710 3473 1 11 . 1 1 34 34 SER CB C 34 63.310 63.310 62.737 0.573 19710 3474 1 11 . 1 1 35 35 THR N N 35 113.722 113.722 115.581 -1.859 19710 3475 1 11 . 1 1 35 35 THR HA H 35 4.117 4.117 4.176 -0.059 19710 3476 1 11 . 1 1 35 35 THR C C 35 175.474 175.474 175.651 -0.177 19710 3477 1 11 . 1 1 35 35 THR CA C 35 63.751 63.751 64.450 -0.699 19710 3478 1 11 . 1 1 35 35 THR CB C 35 68.542 68.542 68.564 -0.022 19710 3479 1 11 . 1 1 35 35 THR H H 35 7.788 7.788 8.120 -0.332 19710 3480 1 11 . 1 1 36 36 GLU N N 36 120.073 120.073 120.874 -0.801 19710 3481 1 11 . 1 1 36 36 GLU HA H 36 4.386 4.386 4.248 0.138 19710 3482 1 11 . 1 1 36 36 GLU C C 36 175.013 175.013 176.331 -1.318 19710 3483 1 11 . 1 1 36 36 GLU CA C 36 55.865 55.865 56.936 -1.071 19710 3484 1 11 . 1 1 36 36 GLU CB C 36 29.794 29.794 29.990 -0.196 19710 3485 1 11 . 1 1 36 36 GLU H H 36 7.825 7.825 7.449 0.376 19710 3486 1 11 . 1 1 37 37 ASP N N 37 121.647 121.647 120.869 0.778 19710 3487 1 11 . 1 1 37 37 ASP HA H 37 5.075 5.075 4.420 0.655 19710 3488 1 11 . 1 1 37 37 ASP C C 37 178.071 178.071 175.696 2.375 19710 3489 1 11 . 1 1 37 37 ASP CA C 37 55.606 55.606 55.770 -0.164 19710 3490 1 11 . 1 1 37 37 ASP CB C 37 39.712 39.712 39.878 -0.166 19710 3491 1 11 . 1 1 37 37 ASP H H 37 7.386 7.386 7.957 -0.571 19710 3492 1 11 . 1 1 38 38 THR N N 38 111.963 111.963 116.965 -5.002 19710 3493 1 11 . 1 1 38 38 THR HA H 38 4.675 4.675 4.513 0.162 19710 3494 1 11 . 1 1 38 38 THR C C 38 173.399 173.399 173.971 -0.572 19710 3495 1 11 . 1 1 38 38 THR CA C 38 59.483 59.483 60.115 -0.632 19710 3496 1 11 . 1 1 38 38 THR CB C 38 71.810 71.810 71.028 0.783 19710 3497 1 11 . 1 1 38 38 THR H H 38 7.821 7.821 8.484 -0.663 19710 3498 1 11 . 1 1 39 39 TRP N N 39 123.340 123.340 127.930 -4.590 19710 3499 1 11 . 1 1 39 39 TRP HA H 39 4.835 4.835 4.956 -0.121 19710 3500 1 11 . 1 1 39 39 TRP C C 39 177.090 177.090 176.502 0.588 19710 3501 1 11 . 1 1 39 39 TRP CA C 39 56.443 56.443 56.646 -0.203 19710 3502 1 11 . 1 1 39 39 TRP CB C 39 29.574 29.574 28.662 0.912 19710 3503 1 11 . 1 1 39 39 TRP H H 39 8.546 8.546 8.778 -0.232 19710 3504 1 11 . 1 1 40 40 GLU N N 40 124.822 124.822 125.648 -0.826 19710 3505 1 11 . 1 1 40 40 GLU HA H 40 5.196 5.196 4.824 0.372 19710 3506 1 11 . 1 1 40 40 GLU CA C 40 51.859 51.859 53.169 -1.310 19710 3507 1 11 . 1 1 40 40 GLU CB C 40 31.934 31.934 30.189 1.745 19710 3508 1 11 . 1 1 40 40 GLU H H 40 9.710 9.710 8.487 1.223 19710 3509 1 11 . 1 1 41 41 PRO HA H 41 4.783 4.783 4.994 -0.211 19710 3510 1 11 . 1 1 41 41 PRO C C 41 178.201 178.201 178.239 -0.038 19710 3511 1 11 . 1 1 41 41 PRO CA C 41 62.030 62.030 62.620 -0.590 19710 3512 1 11 . 1 1 41 41 PRO CB C 41 32.833 32.833 32.956 -0.124 19710 3513 1 11 . 1 1 42 42 GLU N N 42 118.959 118.959 123.015 -4.056 19710 3514 1 11 . 1 1 42 42 GLU HA H 42 3.984 3.984 3.913 0.071 19710 3515 1 11 . 1 1 42 42 GLU C C 42 177.841 177.841 178.689 -0.848 19710 3516 1 11 . 1 1 42 42 GLU CA C 42 60.156 60.156 59.552 0.604 19710 3517 1 11 . 1 1 42 42 GLU CB C 42 30.554 30.554 29.775 0.779 19710 3518 1 11 . 1 1 42 42 GLU H H 42 8.531 8.531 8.764 -0.233 19710 3519 1 11 . 1 1 43 43 HIS N N 43 113.679 113.679 117.020 -3.341 19710 3520 1 11 . 1 1 43 43 HIS HA H 43 4.592 4.592 4.271 0.321 19710 3521 1 11 . 1 1 43 43 HIS C C 43 176.547 176.547 175.862 0.685 19710 3522 1 11 . 1 1 43 43 HIS CA C 43 58.187 58.187 57.905 0.282 19710 3523 1 11 . 1 1 43 43 HIS CB C 43 29.362 29.362 29.544 -0.182 19710 3524 1 11 . 1 1 43 43 HIS H H 43 7.998 7.998 8.566 -0.568 19710 3525 1 11 . 1 1 44 44 HIS N N 44 119.428 119.428 115.130 4.298 19710 3526 1 11 . 1 1 44 44 HIS HA H 44 4.886 4.886 4.635 0.251 19710 3527 1 11 . 1 1 44 44 HIS C C 44 175.566 175.566 175.386 0.180 19710 3528 1 11 . 1 1 44 44 HIS CA C 44 55.392 55.392 54.611 0.781 19710 3529 1 11 . 1 1 44 44 HIS CB C 44 30.049 30.049 31.327 -1.278 19710 3530 1 11 . 1 1 44 44 HIS H H 44 7.755 7.755 7.671 0.084 19710 3531 1 11 . 1 1 45 45 LEU N N 45 119.789 119.789 119.310 0.479 19710 3532 1 11 . 1 1 45 45 LEU HA H 45 4.580 4.580 4.170 0.410 19710 3533 1 11 . 1 1 45 45 LEU C C 45 176.926 176.926 175.834 1.092 19710 3534 1 11 . 1 1 45 45 LEU CA C 45 53.930 53.930 57.018 -3.088 19710 3535 1 11 . 1 1 45 45 LEU CB C 45 42.010 42.010 42.669 -0.659 19710 3536 1 11 . 1 1 45 45 LEU H H 45 7.601 7.601 7.352 0.249 19710 3537 1 11 . 1 1 46 46 LEU N N 46 121.462 121.462 114.864 6.598 19710 3538 1 11 . 1 1 46 46 LEU HA H 46 4.100 4.100 4.440 -0.340 19710 3539 1 11 . 1 1 46 46 LEU CA C 46 56.925 56.925 53.990 2.935 19710 3540 1 11 . 1 1 46 46 LEU CB C 46 41.703 41.703 44.456 -2.753 19710 3541 1 11 . 1 1 46 46 LEU H H 46 7.696 7.696 7.438 0.258 19710 3542 1 11 . 1 1 47 47 HIS HA H 47 4.742 4.742 4.476 0.266 19710 3543 1 11 . 1 1 47 47 HIS C C 47 175.940 175.940 174.695 1.245 19710 3544 1 11 . 1 1 47 47 HIS CA C 47 56.483 56.483 57.597 -1.114 19710 3545 1 11 . 1 1 47 47 HIS CB C 47 29.209 29.209 30.873 -1.664 19710 3546 1 11 . 1 1 48 48 CYS N N 48 118.214 118.214 118.911 -0.697 19710 3547 1 11 . 1 1 48 48 CYS HA H 48 4.902 4.902 4.630 0.272 19710 3548 1 11 . 1 1 48 48 CYS C C 48 174.988 174.988 175.243 -0.255 19710 3549 1 11 . 1 1 48 48 CYS CA C 48 57.439 57.439 58.014 -0.575 19710 3550 1 11 . 1 1 48 48 CYS CB C 48 28.038 28.038 30.619 -2.580 19710 3551 1 11 . 1 1 48 48 CYS H H 48 7.823 7.823 7.804 0.019 19710 3552 1 11 . 1 1 49 49 GLU N N 49 122.478 122.478 124.348 -1.870 19710 3553 1 11 . 1 1 49 49 GLU HA H 49 3.718 3.718 4.091 -0.373 19710 3554 1 11 . 1 1 49 49 GLU C C 49 177.607 177.607 177.243 0.364 19710 3555 1 11 . 1 1 49 49 GLU CA C 49 60.496 60.496 58.723 1.773 19710 3556 1 11 . 1 1 49 49 GLU CB C 49 29.391 29.391 29.818 -0.427 19710 3557 1 11 . 1 1 49 49 GLU H H 49 8.524 8.524 9.074 -0.550 19710 3558 1 11 . 1 1 50 50 GLU N N 50 118.424 118.424 118.241 0.183 19710 3559 1 11 . 1 1 50 50 GLU HA H 50 4.035 4.035 3.985 0.050 19710 3560 1 11 . 1 1 50 50 GLU C C 50 178.942 178.942 178.483 0.459 19710 3561 1 11 . 1 1 50 50 GLU CA C 50 59.341 59.341 58.826 0.515 19710 3562 1 11 . 1 1 50 50 GLU CB C 50 28.492 28.492 28.563 -0.071 19710 3563 1 11 . 1 1 50 50 GLU H H 50 9.192 9.192 8.691 0.501 19710 3564 1 11 . 1 1 51 51 PHE N N 51 117.631 117.631 117.458 0.173 19710 3565 1 11 . 1 1 51 51 PHE HA H 51 4.345 4.345 4.661 -0.316 19710 3566 1 11 . 1 1 51 51 PHE C C 51 179.013 179.013 178.057 0.956 19710 3567 1 11 . 1 1 51 51 PHE CA C 51 59.916 59.916 60.751 -0.835 19710 3568 1 11 . 1 1 51 51 PHE CB C 51 38.425 38.425 38.818 -0.393 19710 3569 1 11 . 1 1 51 51 PHE H H 51 7.350 7.350 7.495 -0.145 19710 3570 1 11 . 1 1 52 52 ILE N N 52 123.512 123.512 120.118 3.394 19710 3571 1 11 . 1 1 52 52 ILE HA H 52 3.260 3.260 3.823 -0.563 19710 3572 1 11 . 1 1 52 52 ILE C C 52 177.036 177.036 177.736 -0.700 19710 3573 1 11 . 1 1 52 52 ILE CA C 52 65.356 65.356 64.323 1.033 19710 3574 1 11 . 1 1 52 52 ILE CB C 52 38.172 38.172 37.411 0.761 19710 3575 1 11 . 1 1 52 52 ILE H H 52 7.625 7.625 7.721 -0.096 19710 3576 1 11 . 1 1 53 53 ASP N N 53 120.257 120.257 120.296 -0.039 19710 3577 1 11 . 1 1 53 53 ASP HA H 53 4.302 4.302 4.364 -0.062 19710 3578 1 11 . 1 1 53 53 ASP C C 53 179.243 179.243 178.110 1.133 19710 3579 1 11 . 1 1 53 53 ASP CA C 53 57.343 57.343 58.033 -0.690 19710 3580 1 11 . 1 1 53 53 ASP CB C 53 40.085 40.085 41.089 -1.004 19710 3581 1 11 . 1 1 53 53 ASP H H 53 8.144 8.144 7.851 0.293 19710 3582 1 11 . 1 1 54 54 GLU N N 54 119.707 119.707 119.365 0.342 19710 3583 1 11 . 1 1 54 54 GLU HA H 54 3.944 3.944 4.072 -0.128 19710 3584 1 11 . 1 1 54 54 GLU C C 54 178.652 178.652 178.695 -0.043 19710 3585 1 11 . 1 1 54 54 GLU CA C 54 59.071 59.071 58.689 0.382 19710 3586 1 11 . 1 1 54 54 GLU CB C 54 29.765 29.765 29.268 0.497 19710 3587 1 11 . 1 1 54 54 GLU H H 54 7.875 7.875 7.814 0.061 19710 3588 1 11 . 1 1 55 55 PHE N N 55 120.573 120.573 122.531 -1.958 19710 3589 1 11 . 1 1 55 55 PHE HA H 55 4.138 4.138 4.270 -0.132 19710 3590 1 11 . 1 1 55 55 PHE C C 55 177.460 177.460 176.989 0.471 19710 3591 1 11 . 1 1 55 55 PHE CA C 55 61.425 61.425 60.758 0.667 19710 3592 1 11 . 1 1 55 55 PHE CB C 55 39.347 39.347 39.305 0.042 19710 3593 1 11 . 1 1 55 55 PHE H H 55 7.784 7.784 8.270 -0.486 19710 3594 1 11 . 1 1 56 56 ASN N N 56 117.284 117.284 118.060 -0.776 19710 3595 1 11 . 1 1 56 56 ASN HA H 56 4.349 4.349 4.218 0.131 19710 3596 1 11 . 1 1 56 56 ASN C C 56 177.227 177.227 177.549 -0.322 19710 3597 1 11 . 1 1 56 56 ASN CA C 56 54.592 54.592 55.608 -1.016 19710 3598 1 11 . 1 1 56 56 ASN CB C 56 37.947 37.947 38.262 -0.315 19710 3599 1 11 . 1 1 56 56 ASN H H 56 8.563 8.563 8.073 0.490 19710 3600 1 11 . 1 1 57 57 GLY N N 57 107.640 107.640 107.281 0.359 19710 3601 1 11 . 1 1 57 57 GLY C C 57 174.906 174.906 175.933 -1.027 19710 3602 1 11 . 1 1 57 57 GLY CA C 57 46.079 46.079 46.844 -0.765 19710 3603 1 11 . 1 1 57 57 GLY H H 57 7.890 7.890 7.565 0.325 19710 3604 1 11 . 1 1 58 58 LEU N N 58 120.735 120.735 117.942 2.793 19710 3605 1 11 . 1 1 58 58 LEU HA H 58 4.110 4.110 4.354 -0.244 19710 3606 1 11 . 1 1 58 58 LEU C C 58 177.607 177.607 178.199 -0.592 19710 3607 1 11 . 1 1 58 58 LEU CA C 58 55.836 55.836 57.106 -1.270 19710 3608 1 11 . 1 1 58 58 LEU CB C 58 42.340 42.340 42.055 0.285 19710 3609 1 11 . 1 1 58 58 LEU H H 58 7.528 7.528 7.742 -0.214 19710 3610 1 11 . 1 1 59 59 HIS N N 59 118.359 118.359 117.587 0.772 19710 3611 1 11 . 1 1 59 59 HIS HA H 59 4.417 4.417 4.482 -0.065 19710 3612 1 11 . 1 1 59 59 HIS C C 59 175.499 175.499 175.406 0.093 19710 3613 1 11 . 1 1 59 59 HIS CA C 59 56.604 56.604 57.190 -0.585 19710 3614 1 11 . 1 1 59 59 HIS CB C 59 30.480 30.480 31.968 -1.488 19710 3615 1 11 . 1 1 59 59 HIS H H 59 7.875 7.875 7.751 0.124 19710 3616 1 11 . 1 1 60 60 MET N N 60 120.255 120.255 118.334 1.921 19710 3617 1 11 . 1 1 60 60 MET HA H 60 4.365 4.365 4.230 0.135 19710 3618 1 11 . 1 1 60 60 MET CA C 60 55.643 55.643 56.086 -0.443 19710 3619 1 11 . 1 1 60 60 MET CB C 60 32.684 32.684 30.217 2.467 19710 3620 1 11 . 1 1 60 60 MET H H 60 7.884 7.884 7.622 0.262 19710 3621 1 11 . 1 1 62 62 LYS HA H 62 4.301 4.301 4.641 -0.340 19710 3622 1 11 . 1 1 62 62 LYS C C 62 176.168 176.168 174.207 1.961 19710 3623 1 11 . 1 1 62 62 LYS CA C 62 56.312 56.312 55.483 0.829 19710 3624 1 11 . 1 1 62 62 LYS CB C 62 32.975 32.975 34.015 -1.040 19710 3625 1 11 . 1 1 63 63 ASP N N 63 121.259 121.259 119.248 2.011 19710 3626 1 11 . 1 1 63 63 ASP HA H 63 4.540 4.540 4.913 -0.373 19710 3627 1 11 . 1 1 63 63 ASP C C 63 175.024 175.024 175.411 -0.387 19710 3628 1 11 . 1 1 63 63 ASP CA C 63 54.569 54.569 53.888 0.681 19710 3629 1 11 . 1 1 63 63 ASP CB C 63 41.120 41.120 42.317 -1.197 19710 3630 1 11 . 1 1 63 63 ASP H H 63 8.263 8.263 8.348 -0.085 19710 3631 1 12 . 1 1 2 2 ALA HA H 2 4.257 4.257 4.567 -0.310 19710 3632 1 12 . 1 1 2 2 ALA CA C 2 52.527 52.527 52.239 0.288 19710 3633 1 12 . 1 1 2 2 ALA CB C 2 19.363 19.363 20.172 -0.809 19710 3634 1 12 . 1 1 4 4 GLY C C 4 173.756 173.756 172.907 0.849 19710 3635 1 12 . 1 1 4 4 GLY CA C 4 45.291 45.291 45.035 0.256 19710 3636 1 12 . 1 1 5 5 ASP N N 5 120.203 120.203 120.100 0.103 19710 3637 1 12 . 1 1 5 5 ASP HA H 5 4.451 4.451 4.466 -0.015 19710 3638 1 12 . 1 1 5 5 ASP C C 5 175.671 175.671 176.485 -0.814 19710 3639 1 12 . 1 1 5 5 ASP CA C 5 54.422 54.422 54.988 -0.566 19710 3640 1 12 . 1 1 5 5 ASP CB C 5 41.179 41.179 41.133 0.046 19710 3641 1 12 . 1 1 5 5 ASP H H 5 8.028 8.028 8.018 0.010 19710 3642 1 12 . 1 1 6 6 LEU N N 6 121.200 121.200 120.542 0.658 19710 3643 1 12 . 1 1 6 6 LEU HA H 6 4.135 4.135 4.218 -0.083 19710 3644 1 12 . 1 1 6 6 LEU C C 6 176.638 176.638 176.037 0.601 19710 3645 1 12 . 1 1 6 6 LEU CA C 6 55.097 55.097 53.767 1.330 19710 3646 1 12 . 1 1 6 6 LEU CB C 6 42.364 42.364 40.563 1.801 19710 3647 1 12 . 1 1 6 6 LEU H H 6 7.873 7.873 7.413 0.460 19710 3648 1 12 . 1 1 7 7 TYR N N 7 121.938 121.938 122.214 -0.276 19710 3649 1 12 . 1 1 7 7 TYR HA H 7 4.631 4.631 4.341 0.290 19710 3650 1 12 . 1 1 7 7 TYR C C 7 175.047 175.047 176.481 -1.434 19710 3651 1 12 . 1 1 7 7 TYR CA C 7 57.261 57.261 57.239 0.022 19710 3652 1 12 . 1 1 7 7 TYR CB C 7 38.921 38.921 39.163 -0.242 19710 3653 1 12 . 1 1 7 7 TYR H H 7 8.011 8.011 7.219 0.792 19710 3654 1 12 . 1 1 8 8 GLU N N 8 122.393 122.393 121.796 0.597 19710 3655 1 12 . 1 1 8 8 GLU HA H 8 4.769 4.769 4.367 0.402 19710 3656 1 12 . 1 1 8 8 GLU C C 8 175.583 175.583 176.025 -0.442 19710 3657 1 12 . 1 1 8 8 GLU CA C 8 54.988 54.988 56.390 -1.402 19710 3658 1 12 . 1 1 8 8 GLU CB C 8 32.551 32.551 28.862 3.689 19710 3659 1 12 . 1 1 8 8 GLU H H 8 9.047 9.047 8.803 0.244 19710 3660 1 12 . 1 1 9 9 VAL N N 9 126.546 126.546 123.190 3.356 19710 3661 1 12 . 1 1 9 9 VAL HA H 9 3.092 3.092 4.263 -1.171 19710 3662 1 12 . 1 1 9 9 VAL C C 9 175.170 175.170 175.013 0.157 19710 3663 1 12 . 1 1 9 9 VAL CA C 9 64.309 64.309 62.464 1.845 19710 3664 1 12 . 1 1 9 9 VAL CB C 9 32.983 32.983 32.557 0.426 19710 3665 1 12 . 1 1 9 9 VAL H H 9 8.677 8.677 7.997 0.680 19710 3666 1 12 . 1 1 10 10 GLU N N 10 126.674 126.674 128.879 -2.205 19710 3667 1 12 . 1 1 10 10 GLU HA H 10 4.234 4.234 4.360 -0.126 19710 3668 1 12 . 1 1 10 10 GLU C C 10 175.505 175.505 176.722 -1.217 19710 3669 1 12 . 1 1 10 10 GLU CA C 10 57.459 57.459 58.040 -0.581 19710 3670 1 12 . 1 1 10 10 GLU CB C 10 31.296 31.296 30.999 0.297 19710 3671 1 12 . 1 1 10 10 GLU H H 10 9.120 9.120 8.713 0.407 19710 3672 1 12 . 1 1 11 11 ARG N N 11 111.321 111.321 112.391 -1.070 19710 3673 1 12 . 1 1 11 11 ARG HA H 11 4.115 4.115 4.629 -0.514 19710 3674 1 12 . 1 1 11 11 ARG C C 11 172.330 172.330 173.973 -1.643 19710 3675 1 12 . 1 1 11 11 ARG CA C 11 54.723 54.723 55.377 -0.654 19710 3676 1 12 . 1 1 11 11 ARG CB C 11 32.309 32.309 31.855 0.454 19710 3677 1 12 . 1 1 11 11 ARG H H 11 7.476 7.476 7.661 -0.185 19710 3678 1 12 . 1 1 12 12 ILE N N 12 120.610 120.610 120.169 0.441 19710 3679 1 12 . 1 1 12 12 ILE HA H 12 4.085 4.085 4.142 -0.057 19710 3680 1 12 . 1 1 12 12 ILE C C 12 175.353 175.353 176.190 -0.837 19710 3681 1 12 . 1 1 12 12 ILE CA C 12 60.515 60.515 61.852 -1.337 19710 3682 1 12 . 1 1 12 12 ILE CB C 12 38.338 38.338 37.937 0.401 19710 3683 1 12 . 1 1 12 12 ILE H H 12 8.295 8.295 8.801 -0.506 19710 3684 1 12 . 1 1 13 13 VAL N N 13 122.026 122.026 125.574 -3.548 19710 3685 1 12 . 1 1 13 13 VAL HA H 13 4.047 4.047 4.064 -0.017 19710 3686 1 12 . 1 1 13 13 VAL C C 13 175.311 175.311 176.201 -0.890 19710 3687 1 12 . 1 1 13 13 VAL CA C 13 62.460 62.460 64.232 -1.772 19710 3688 1 12 . 1 1 13 13 VAL CB C 13 33.344 33.344 32.530 0.814 19710 3689 1 12 . 1 1 13 13 VAL H H 13 8.939 8.939 8.734 0.205 19710 3690 1 12 . 1 1 14 14 ASP N N 14 117.407 117.407 114.968 2.439 19710 3691 1 12 . 1 1 14 14 ASP HA H 14 4.776 4.776 5.165 -0.389 19710 3692 1 12 . 1 1 14 14 ASP C C 14 173.374 173.374 173.752 -0.378 19710 3693 1 12 . 1 1 14 14 ASP CA C 14 53.034 53.034 53.164 -0.130 19710 3694 1 12 . 1 1 14 14 ASP CB C 14 43.749 43.749 43.535 0.214 19710 3695 1 12 . 1 1 14 14 ASP H H 14 7.236 7.236 7.922 -0.686 19710 3696 1 12 . 1 1 15 15 LYS N N 15 118.628 118.628 118.016 0.612 19710 3697 1 12 . 1 1 15 15 LYS HA H 15 5.517 5.517 4.437 1.080 19710 3698 1 12 . 1 1 15 15 LYS C C 15 173.885 173.885 175.028 -1.143 19710 3699 1 12 . 1 1 15 15 LYS CA C 15 55.716 55.716 54.869 0.847 19710 3700 1 12 . 1 1 15 15 LYS CB C 15 37.575 37.575 34.892 2.683 19710 3701 1 12 . 1 1 15 15 LYS H H 15 9.430 9.430 8.248 1.182 19710 3702 1 12 . 1 1 16 16 ARG N N 16 120.175 120.175 116.155 4.020 19710 3703 1 12 . 1 1 16 16 ARG HA H 16 4.872 4.872 4.578 0.294 19710 3704 1 12 . 1 1 16 16 ARG C C 16 172.365 172.365 173.986 -1.621 19710 3705 1 12 . 1 1 16 16 ARG CA C 16 54.680 54.680 54.607 0.073 19710 3706 1 12 . 1 1 16 16 ARG CB C 16 32.460 32.460 32.473 -0.013 19710 3707 1 12 . 1 1 16 16 ARG H H 16 9.326 9.326 8.549 0.777 19710 3708 1 12 . 1 1 17 17 LYS N N 17 122.374 122.374 120.311 2.063 19710 3709 1 12 . 1 1 17 17 LYS HA H 17 4.306 4.306 4.952 -0.646 19710 3710 1 12 . 1 1 17 17 LYS C C 17 176.978 176.978 176.517 0.461 19710 3711 1 12 . 1 1 17 17 LYS CA C 17 54.557 54.557 54.307 0.250 19710 3712 1 12 . 1 1 17 17 LYS CB C 17 33.310 33.310 34.034 -0.724 19710 3713 1 12 . 1 1 17 17 LYS H H 17 8.480 8.480 8.367 0.113 19710 3714 1 12 . 1 1 18 18 ASN N N 18 123.092 123.092 121.843 1.249 19710 3715 1 12 . 1 1 18 18 ASN HA H 18 4.482 4.482 4.544 -0.062 19710 3716 1 12 . 1 1 18 18 ASN CA C 18 50.611 50.611 54.008 -3.397 19710 3717 1 12 . 1 1 18 18 ASN CB C 18 39.055 39.055 39.938 -0.883 19710 3718 1 12 . 1 1 18 18 ASN H H 18 8.736 8.736 8.450 0.286 19710 3719 1 12 . 1 1 19 19 LYS HA H 19 3.939 3.939 4.091 -0.152 19710 3720 1 12 . 1 1 19 19 LYS C C 19 177.548 177.548 177.195 0.353 19710 3721 1 12 . 1 1 19 19 LYS CA C 19 58.543 58.543 58.105 0.438 19710 3722 1 12 . 1 1 19 19 LYS CB C 19 31.933 31.933 31.579 0.354 19710 3723 1 12 . 1 1 20 20 LYS N N 20 117.362 117.362 119.476 -2.114 19710 3724 1 12 . 1 1 20 20 LYS HA H 20 4.262 4.262 4.252 0.010 19710 3725 1 12 . 1 1 20 20 LYS C C 20 176.514 176.514 176.419 0.095 19710 3726 1 12 . 1 1 20 20 LYS CA C 20 55.489 55.489 55.515 -0.026 19710 3727 1 12 . 1 1 20 20 LYS CB C 20 32.105 32.105 32.408 -0.303 19710 3728 1 12 . 1 1 20 20 LYS H H 20 7.491 7.491 7.848 -0.357 19710 3729 1 12 . 1 1 21 21 GLY N N 21 107.275 107.275 108.926 -1.651 19710 3730 1 12 . 1 1 21 21 GLY C C 21 173.503 173.503 173.706 -0.203 19710 3731 1 12 . 1 1 21 21 GLY CA C 21 45.413 45.413 45.719 -0.306 19710 3732 1 12 . 1 1 21 21 GLY H H 21 7.966 7.966 7.767 0.199 19710 3733 1 12 . 1 1 22 22 LYS N N 22 119.753 119.753 117.878 1.875 19710 3734 1 12 . 1 1 22 22 LYS HA H 22 4.380 4.380 3.671 0.709 19710 3735 1 12 . 1 1 22 22 LYS C C 22 175.319 175.319 176.110 -0.791 19710 3736 1 12 . 1 1 22 22 LYS CA C 22 53.197 53.197 54.744 -1.547 19710 3737 1 12 . 1 1 22 22 LYS CB C 22 33.531 33.531 33.300 0.231 19710 3738 1 12 . 1 1 22 22 LYS H H 22 7.457 7.457 7.466 -0.009 19710 3739 1 12 . 1 1 23 23 TRP N N 23 120.227 120.227 120.412 -0.185 19710 3740 1 12 . 1 1 23 23 TRP HA H 23 4.837 4.837 4.839 -0.002 19710 3741 1 12 . 1 1 23 23 TRP C C 23 176.246 176.246 175.808 0.438 19710 3742 1 12 . 1 1 23 23 TRP CA C 23 57.338 57.338 56.513 0.825 19710 3743 1 12 . 1 1 23 23 TRP CB C 23 31.142 31.142 29.376 1.766 19710 3744 1 12 . 1 1 23 23 TRP H H 23 8.564 8.564 8.543 0.021 19710 3745 1 12 . 1 1 24 24 GLU N N 24 120.044 120.044 121.912 -1.868 19710 3746 1 12 . 1 1 24 24 GLU HA H 24 4.921 4.921 5.332 -0.411 19710 3747 1 12 . 1 1 24 24 GLU C C 24 174.505 174.505 175.525 -1.020 19710 3748 1 12 . 1 1 24 24 GLU CA C 24 54.223 54.223 54.654 -0.431 19710 3749 1 12 . 1 1 24 24 GLU CB C 24 33.711 33.711 33.982 -0.271 19710 3750 1 12 . 1 1 24 24 GLU H H 24 9.257 9.257 8.641 0.616 19710 3751 1 12 . 1 1 25 25 TYR N N 25 118.993 118.993 121.105 -2.112 19710 3752 1 12 . 1 1 25 25 TYR HA H 25 5.017 5.017 4.644 0.373 19710 3753 1 12 . 1 1 25 25 TYR C C 25 173.068 173.068 174.420 -1.352 19710 3754 1 12 . 1 1 25 25 TYR CA C 25 57.173 57.173 57.112 0.061 19710 3755 1 12 . 1 1 25 25 TYR CB C 25 41.873 41.873 41.702 0.171 19710 3756 1 12 . 1 1 25 25 TYR H H 25 9.119 9.119 9.313 -0.194 19710 3757 1 12 . 1 1 26 26 LEU N N 26 128.028 128.028 125.914 2.114 19710 3758 1 12 . 1 1 26 26 LEU HA H 26 3.632 3.632 4.661 -1.029 19710 3759 1 12 . 1 1 26 26 LEU C C 26 173.813 173.813 175.288 -1.475 19710 3760 1 12 . 1 1 26 26 LEU CA C 26 53.371 53.371 55.024 -1.653 19710 3761 1 12 . 1 1 26 26 LEU CB C 26 39.946 39.946 42.005 -2.059 19710 3762 1 12 . 1 1 26 26 LEU H H 26 7.788 7.788 8.291 -0.503 19710 3763 1 12 . 1 1 27 27 ILE N N 27 130.050 130.050 126.152 3.898 19710 3764 1 12 . 1 1 27 27 ILE HA H 27 3.604 3.604 4.545 -0.941 19710 3765 1 12 . 1 1 27 27 ILE C C 27 173.398 173.398 175.075 -1.677 19710 3766 1 12 . 1 1 27 27 ILE CA C 27 58.760 58.760 58.672 0.088 19710 3767 1 12 . 1 1 27 27 ILE CB C 27 38.186 38.186 39.355 -1.169 19710 3768 1 12 . 1 1 27 27 ILE H H 27 8.752 8.752 9.191 -0.439 19710 3769 1 12 . 1 1 28 28 ARG N N 28 123.071 123.071 124.066 -0.995 19710 3770 1 12 . 1 1 28 28 ARG HA H 28 4.474 4.474 4.806 -0.332 19710 3771 1 12 . 1 1 28 28 ARG C C 28 174.476 174.476 174.760 -0.284 19710 3772 1 12 . 1 1 28 28 ARG CA C 28 52.104 52.104 54.836 -2.732 19710 3773 1 12 . 1 1 28 28 ARG CB C 28 29.007 29.007 32.123 -3.116 19710 3774 1 12 . 1 1 28 28 ARG H H 28 7.453 7.453 8.520 -1.067 19710 3775 1 12 . 1 1 29 29 TRP N N 29 132.787 132.787 121.723 11.064 19710 3776 1 12 . 1 1 29 29 TRP HA H 29 4.731 4.731 5.057 -0.326 19710 3777 1 12 . 1 1 29 29 TRP C C 29 176.623 176.623 174.728 1.895 19710 3778 1 12 . 1 1 29 29 TRP CA C 29 55.653 55.653 54.021 1.632 19710 3779 1 12 . 1 1 29 29 TRP CB C 29 31.065 31.065 30.695 0.370 19710 3780 1 12 . 1 1 29 29 TRP H H 29 9.197 9.197 8.575 0.622 19710 3781 1 12 . 1 1 30 30 LYS N N 30 122.843 122.843 123.456 -0.613 19710 3782 1 12 . 1 1 30 30 LYS HA H 30 4.212 4.212 3.966 0.246 19710 3783 1 12 . 1 1 30 30 LYS C C 30 177.688 177.688 177.396 0.292 19710 3784 1 12 . 1 1 30 30 LYS CA C 30 58.203 58.203 58.256 -0.053 19710 3785 1 12 . 1 1 30 30 LYS CB C 30 33.152 33.152 32.877 0.275 19710 3786 1 12 . 1 1 30 30 LYS H H 30 9.134 9.134 8.513 0.621 19710 3787 1 12 . 1 1 31 31 GLY N N 31 113.057 113.057 112.605 0.452 19710 3788 1 12 . 1 1 31 31 GLY C C 31 173.562 173.562 173.979 -0.417 19710 3789 1 12 . 1 1 31 31 GLY CA C 31 44.973 44.973 44.775 0.198 19710 3790 1 12 . 1 1 31 31 GLY H H 31 8.646 8.646 8.765 -0.119 19710 3791 1 12 . 1 1 32 32 TYR N N 32 119.993 119.993 119.953 0.040 19710 3792 1 12 . 1 1 32 32 TYR HA H 32 4.620 4.620 4.645 -0.025 19710 3793 1 12 . 1 1 32 32 TYR C C 32 175.254 175.254 175.730 -0.476 19710 3794 1 12 . 1 1 32 32 TYR CA C 32 57.742 57.742 56.000 1.742 19710 3795 1 12 . 1 1 32 32 TYR CB C 32 40.377 40.377 40.051 0.326 19710 3796 1 12 . 1 1 32 32 TYR H H 32 8.119 8.119 7.369 0.750 19710 3797 1 12 . 1 1 33 33 GLY N N 33 106.930 106.930 109.893 -2.963 19710 3798 1 12 . 1 1 33 33 GLY CA C 33 44.052 44.052 45.355 -1.303 19710 3799 1 12 . 1 1 33 33 GLY H H 33 8.510 8.510 8.367 0.143 19710 3800 1 12 . 1 1 34 34 SER HA H 34 4.437 4.437 4.322 0.115 19710 3801 1 12 . 1 1 34 34 SER C C 34 176.594 176.594 176.520 0.074 19710 3802 1 12 . 1 1 34 34 SER CA C 34 60.033 60.033 61.004 -0.971 19710 3803 1 12 . 1 1 34 34 SER CB C 34 63.310 63.310 63.288 0.023 19710 3804 1 12 . 1 1 35 35 THR N N 35 113.722 113.722 115.312 -1.590 19710 3805 1 12 . 1 1 35 35 THR HA H 35 4.117 4.117 4.327 -0.210 19710 3806 1 12 . 1 1 35 35 THR C C 35 175.474 175.474 175.500 -0.026 19710 3807 1 12 . 1 1 35 35 THR CA C 35 63.751 63.751 63.267 0.484 19710 3808 1 12 . 1 1 35 35 THR CB C 35 68.542 68.542 68.418 0.124 19710 3809 1 12 . 1 1 35 35 THR H H 35 7.788 7.788 8.081 -0.293 19710 3810 1 12 . 1 1 36 36 GLU N N 36 120.073 120.073 121.596 -1.523 19710 3811 1 12 . 1 1 36 36 GLU HA H 36 4.386 4.386 4.091 0.295 19710 3812 1 12 . 1 1 36 36 GLU C C 36 175.013 175.013 176.354 -1.341 19710 3813 1 12 . 1 1 36 36 GLU CA C 36 55.865 55.865 56.413 -0.548 19710 3814 1 12 . 1 1 36 36 GLU CB C 36 29.794 29.794 29.603 0.191 19710 3815 1 12 . 1 1 36 36 GLU H H 36 7.825 7.825 7.515 0.310 19710 3816 1 12 . 1 1 37 37 ASP N N 37 121.647 121.647 119.574 2.073 19710 3817 1 12 . 1 1 37 37 ASP HA H 37 5.075 5.075 4.453 0.622 19710 3818 1 12 . 1 1 37 37 ASP C C 37 178.071 178.071 176.253 1.818 19710 3819 1 12 . 1 1 37 37 ASP CA C 37 55.606 55.606 55.054 0.552 19710 3820 1 12 . 1 1 37 37 ASP CB C 37 39.712 39.712 39.656 0.056 19710 3821 1 12 . 1 1 37 37 ASP H H 37 7.386 7.386 7.682 -0.296 19710 3822 1 12 . 1 1 38 38 THR N N 38 111.963 111.963 116.843 -4.880 19710 3823 1 12 . 1 1 38 38 THR HA H 38 4.675 4.675 4.591 0.084 19710 3824 1 12 . 1 1 38 38 THR C C 38 173.399 173.399 173.552 -0.153 19710 3825 1 12 . 1 1 38 38 THR CA C 38 59.483 59.483 60.362 -0.879 19710 3826 1 12 . 1 1 38 38 THR CB C 38 71.810 71.810 71.299 0.511 19710 3827 1 12 . 1 1 38 38 THR H H 38 7.821 7.821 8.611 -0.790 19710 3828 1 12 . 1 1 39 39 TRP N N 39 123.340 123.340 126.383 -3.043 19710 3829 1 12 . 1 1 39 39 TRP HA H 39 4.835 4.835 5.183 -0.348 19710 3830 1 12 . 1 1 39 39 TRP C C 39 177.090 177.090 175.150 1.940 19710 3831 1 12 . 1 1 39 39 TRP CA C 39 56.443 56.443 54.515 1.928 19710 3832 1 12 . 1 1 39 39 TRP CB C 39 29.574 29.574 28.238 1.336 19710 3833 1 12 . 1 1 39 39 TRP H H 39 8.546 8.546 7.897 0.649 19710 3834 1 12 . 1 1 40 40 GLU N N 40 124.822 124.822 123.292 1.530 19710 3835 1 12 . 1 1 40 40 GLU HA H 40 5.196 5.196 4.702 0.494 19710 3836 1 12 . 1 1 40 40 GLU CA C 40 51.859 51.859 53.272 -1.413 19710 3837 1 12 . 1 1 40 40 GLU CB C 40 31.934 31.934 30.380 1.554 19710 3838 1 12 . 1 1 40 40 GLU H H 40 9.710 9.710 8.483 1.227 19710 3839 1 12 . 1 1 41 41 PRO HA H 41 4.783 4.783 4.732 0.051 19710 3840 1 12 . 1 1 41 41 PRO C C 41 178.201 178.201 178.188 0.013 19710 3841 1 12 . 1 1 41 41 PRO CA C 41 62.030 62.030 63.076 -1.046 19710 3842 1 12 . 1 1 41 41 PRO CB C 41 32.833 32.833 32.635 0.198 19710 3843 1 12 . 1 1 42 42 GLU N N 42 118.959 118.959 125.714 -6.755 19710 3844 1 12 . 1 1 42 42 GLU HA H 42 3.984 3.984 4.037 -0.053 19710 3845 1 12 . 1 1 42 42 GLU C C 42 177.841 177.841 178.487 -0.646 19710 3846 1 12 . 1 1 42 42 GLU CA C 42 60.156 60.156 59.641 0.515 19710 3847 1 12 . 1 1 42 42 GLU CB C 42 30.554 30.554 29.671 0.883 19710 3848 1 12 . 1 1 42 42 GLU H H 42 8.531 8.531 8.672 -0.141 19710 3849 1 12 . 1 1 43 43 HIS N N 43 113.679 113.679 115.219 -1.540 19710 3850 1 12 . 1 1 43 43 HIS HA H 43 4.592 4.592 4.383 0.209 19710 3851 1 12 . 1 1 43 43 HIS C C 43 176.547 176.547 175.718 0.829 19710 3852 1 12 . 1 1 43 43 HIS CA C 43 58.187 58.187 57.439 0.748 19710 3853 1 12 . 1 1 43 43 HIS CB C 43 29.362 29.362 28.941 0.421 19710 3854 1 12 . 1 1 43 43 HIS H H 43 7.998 7.998 8.433 -0.435 19710 3855 1 12 . 1 1 44 44 HIS N N 44 119.428 119.428 115.485 3.943 19710 3856 1 12 . 1 1 44 44 HIS HA H 44 4.886 4.886 4.776 0.110 19710 3857 1 12 . 1 1 44 44 HIS C C 44 175.566 175.566 175.137 0.429 19710 3858 1 12 . 1 1 44 44 HIS CA C 44 55.392 55.392 54.858 0.534 19710 3859 1 12 . 1 1 44 44 HIS CB C 44 30.049 30.049 31.709 -1.660 19710 3860 1 12 . 1 1 44 44 HIS H H 44 7.755 7.755 7.684 0.071 19710 3861 1 12 . 1 1 45 45 LEU N N 45 119.789 119.789 119.798 -0.009 19710 3862 1 12 . 1 1 45 45 LEU HA H 45 4.580 4.580 4.295 0.285 19710 3863 1 12 . 1 1 45 45 LEU C C 45 176.926 176.926 175.765 1.161 19710 3864 1 12 . 1 1 45 45 LEU CA C 45 53.930 53.930 56.947 -3.017 19710 3865 1 12 . 1 1 45 45 LEU CB C 45 42.010 42.010 43.153 -1.143 19710 3866 1 12 . 1 1 45 45 LEU H H 45 7.601 7.601 7.442 0.159 19710 3867 1 12 . 1 1 46 46 LEU N N 46 121.462 121.462 114.807 6.655 19710 3868 1 12 . 1 1 46 46 LEU HA H 46 4.100 4.100 4.381 -0.281 19710 3869 1 12 . 1 1 46 46 LEU CA C 46 56.925 56.925 54.377 2.548 19710 3870 1 12 . 1 1 46 46 LEU CB C 46 41.703 41.703 44.433 -2.730 19710 3871 1 12 . 1 1 46 46 LEU H H 46 7.696 7.696 7.560 0.136 19710 3872 1 12 . 1 1 47 47 HIS HA H 47 4.742 4.742 4.467 0.275 19710 3873 1 12 . 1 1 47 47 HIS C C 47 175.940 175.940 174.738 1.202 19710 3874 1 12 . 1 1 47 47 HIS CA C 47 56.483 56.483 57.953 -1.470 19710 3875 1 12 . 1 1 47 47 HIS CB C 47 29.209 29.209 30.494 -1.285 19710 3876 1 12 . 1 1 48 48 CYS N N 48 118.214 118.214 119.699 -1.485 19710 3877 1 12 . 1 1 48 48 CYS HA H 48 4.902 4.902 4.602 0.300 19710 3878 1 12 . 1 1 48 48 CYS C C 48 174.988 174.988 175.260 -0.272 19710 3879 1 12 . 1 1 48 48 CYS CA C 48 57.439 57.439 57.435 0.004 19710 3880 1 12 . 1 1 48 48 CYS CB C 48 28.038 28.038 30.112 -2.074 19710 3881 1 12 . 1 1 48 48 CYS H H 48 7.823 7.823 7.903 -0.080 19710 3882 1 12 . 1 1 49 49 GLU N N 49 122.478 122.478 125.806 -3.328 19710 3883 1 12 . 1 1 49 49 GLU HA H 49 3.718 3.718 4.045 -0.327 19710 3884 1 12 . 1 1 49 49 GLU C C 49 177.607 177.607 177.423 0.184 19710 3885 1 12 . 1 1 49 49 GLU CA C 49 60.496 60.496 58.519 1.977 19710 3886 1 12 . 1 1 49 49 GLU CB C 49 29.391 29.391 29.425 -0.034 19710 3887 1 12 . 1 1 49 49 GLU H H 49 8.524 8.524 9.076 -0.552 19710 3888 1 12 . 1 1 50 50 GLU N N 50 118.424 118.424 118.254 0.170 19710 3889 1 12 . 1 1 50 50 GLU HA H 50 4.035 4.035 3.978 0.057 19710 3890 1 12 . 1 1 50 50 GLU C C 50 178.942 178.942 178.602 0.340 19710 3891 1 12 . 1 1 50 50 GLU CA C 50 59.341 59.341 59.039 0.301 19710 3892 1 12 . 1 1 50 50 GLU CB C 50 28.492 28.492 29.029 -0.537 19710 3893 1 12 . 1 1 50 50 GLU H H 50 9.192 9.192 8.801 0.391 19710 3894 1 12 . 1 1 51 51 PHE N N 51 117.631 117.631 117.025 0.606 19710 3895 1 12 . 1 1 51 51 PHE HA H 51 4.345 4.345 4.302 0.043 19710 3896 1 12 . 1 1 51 51 PHE C C 51 179.013 179.013 177.875 1.138 19710 3897 1 12 . 1 1 51 51 PHE CA C 51 59.916 59.916 61.194 -1.278 19710 3898 1 12 . 1 1 51 51 PHE CB C 51 38.425 38.425 38.719 -0.294 19710 3899 1 12 . 1 1 51 51 PHE H H 51 7.350 7.350 7.532 -0.182 19710 3900 1 12 . 1 1 52 52 ILE N N 52 123.512 123.512 119.298 4.214 19710 3901 1 12 . 1 1 52 52 ILE HA H 52 3.260 3.260 3.727 -0.467 19710 3902 1 12 . 1 1 52 52 ILE C C 52 177.036 177.036 177.821 -0.785 19710 3903 1 12 . 1 1 52 52 ILE CA C 52 65.356 65.356 64.790 0.566 19710 3904 1 12 . 1 1 52 52 ILE CB C 52 38.172 38.172 37.363 0.809 19710 3905 1 12 . 1 1 52 52 ILE H H 52 7.625 7.625 7.818 -0.193 19710 3906 1 12 . 1 1 53 53 ASP N N 53 120.257 120.257 120.063 0.194 19710 3907 1 12 . 1 1 53 53 ASP HA H 53 4.302 4.302 4.361 -0.059 19710 3908 1 12 . 1 1 53 53 ASP C C 53 179.243 179.243 178.503 0.740 19710 3909 1 12 . 1 1 53 53 ASP CA C 53 57.343 57.343 58.010 -0.667 19710 3910 1 12 . 1 1 53 53 ASP CB C 53 40.085 40.085 40.901 -0.817 19710 3911 1 12 . 1 1 53 53 ASP H H 53 8.144 8.144 8.005 0.139 19710 3912 1 12 . 1 1 54 54 GLU N N 54 119.707 119.707 120.195 -0.488 19710 3913 1 12 . 1 1 54 54 GLU HA H 54 3.944 3.944 4.046 -0.102 19710 3914 1 12 . 1 1 54 54 GLU C C 54 178.652 178.652 178.597 0.055 19710 3915 1 12 . 1 1 54 54 GLU CA C 54 59.071 59.071 59.210 -0.139 19710 3916 1 12 . 1 1 54 54 GLU CB C 54 29.765 29.765 29.572 0.193 19710 3917 1 12 . 1 1 54 54 GLU H H 54 7.875 7.875 7.813 0.062 19710 3918 1 12 . 1 1 55 55 PHE N N 55 120.573 120.573 120.638 -0.065 19710 3919 1 12 . 1 1 55 55 PHE HA H 55 4.138 4.138 4.270 -0.132 19710 3920 1 12 . 1 1 55 55 PHE C C 55 177.460 177.460 177.182 0.278 19710 3921 1 12 . 1 1 55 55 PHE CA C 55 61.425 61.425 60.715 0.710 19710 3922 1 12 . 1 1 55 55 PHE CB C 55 39.347 39.347 39.021 0.326 19710 3923 1 12 . 1 1 55 55 PHE H H 55 7.784 7.784 8.207 -0.423 19710 3924 1 12 . 1 1 56 56 ASN N N 56 117.284 117.284 118.030 -0.746 19710 3925 1 12 . 1 1 56 56 ASN HA H 56 4.349 4.349 4.173 0.176 19710 3926 1 12 . 1 1 56 56 ASN C C 56 177.227 177.227 178.051 -0.824 19710 3927 1 12 . 1 1 56 56 ASN CA C 56 54.592 54.592 56.051 -1.459 19710 3928 1 12 . 1 1 56 56 ASN CB C 56 37.947 37.947 38.134 -0.187 19710 3929 1 12 . 1 1 56 56 ASN H H 56 8.563 8.563 8.021 0.542 19710 3930 1 12 . 1 1 57 57 GLY N N 57 107.640 107.640 107.831 -0.191 19710 3931 1 12 . 1 1 57 57 GLY C C 57 174.906 174.906 175.627 -0.721 19710 3932 1 12 . 1 1 57 57 GLY CA C 57 46.079 46.079 47.184 -1.105 19710 3933 1 12 . 1 1 57 57 GLY H H 57 7.890 7.890 7.807 0.083 19710 3934 1 12 . 1 1 58 58 LEU N N 58 120.735 120.735 117.707 3.028 19710 3935 1 12 . 1 1 58 58 LEU HA H 58 4.110 4.110 4.420 -0.309 19710 3936 1 12 . 1 1 58 58 LEU C C 58 177.607 177.607 178.189 -0.582 19710 3937 1 12 . 1 1 58 58 LEU CA C 58 55.836 55.836 56.643 -0.807 19710 3938 1 12 . 1 1 58 58 LEU CB C 58 42.340 42.340 41.467 0.873 19710 3939 1 12 . 1 1 58 58 LEU H H 58 7.528 7.528 7.640 -0.112 19710 3940 1 12 . 1 1 59 59 HIS N N 59 118.359 118.359 119.486 -1.127 19710 3941 1 12 . 1 1 59 59 HIS HA H 59 4.417 4.417 4.443 -0.026 19710 3942 1 12 . 1 1 59 59 HIS C C 59 175.499 175.499 175.649 -0.150 19710 3943 1 12 . 1 1 59 59 HIS CA C 59 56.604 56.604 58.175 -1.571 19710 3944 1 12 . 1 1 59 59 HIS CB C 59 30.480 30.480 31.232 -0.752 19710 3945 1 12 . 1 1 59 59 HIS H H 59 7.875 7.875 7.941 -0.066 19710 3946 1 12 . 1 1 60 60 MET N N 60 120.255 120.255 120.181 0.074 19710 3947 1 12 . 1 1 60 60 MET HA H 60 4.365 4.365 4.547 -0.182 19710 3948 1 12 . 1 1 60 60 MET CA C 60 55.643 55.643 54.863 0.780 19710 3949 1 12 . 1 1 60 60 MET CB C 60 32.684 32.684 33.694 -1.010 19710 3950 1 12 . 1 1 60 60 MET H H 60 7.884 7.884 7.509 0.375 19710 3951 1 12 . 1 1 62 62 LYS HA H 62 4.301 4.301 4.477 -0.176 19710 3952 1 12 . 1 1 62 62 LYS C C 62 176.168 176.168 175.438 0.730 19710 3953 1 12 . 1 1 62 62 LYS CA C 62 56.312 56.312 55.599 0.713 19710 3954 1 12 . 1 1 62 62 LYS CB C 62 32.975 32.975 34.599 -1.624 19710 3955 1 12 . 1 1 63 63 ASP N N 63 121.259 121.259 123.704 -2.445 19710 3956 1 12 . 1 1 63 63 ASP HA H 63 4.540 4.540 4.612 -0.072 19710 3957 1 12 . 1 1 63 63 ASP C C 63 175.024 175.024 175.852 -0.828 19710 3958 1 12 . 1 1 63 63 ASP CA C 63 54.569 54.569 54.196 0.373 19710 3959 1 12 . 1 1 63 63 ASP CB C 63 41.120 41.120 40.979 0.141 19710 3960 1 12 . 1 1 63 63 ASP H H 63 8.263 8.263 8.513 -0.250 19710 3961 1 13 . 1 1 2 2 ALA HA H 2 4.257 4.257 4.551 -0.294 19710 3962 1 13 . 1 1 2 2 ALA CA C 2 52.527 52.527 52.391 0.136 19710 3963 1 13 . 1 1 2 2 ALA CB C 2 19.363 19.363 18.134 1.230 19710 3964 1 13 . 1 1 4 4 GLY C C 4 173.756 173.756 173.658 0.098 19710 3965 1 13 . 1 1 4 4 GLY CA C 4 45.291 45.291 44.582 0.709 19710 3966 1 13 . 1 1 5 5 ASP N N 5 120.203 120.203 122.052 -1.849 19710 3967 1 13 . 1 1 5 5 ASP HA H 5 4.451 4.451 3.922 0.529 19710 3968 1 13 . 1 1 5 5 ASP C C 5 175.671 175.671 176.610 -0.939 19710 3969 1 13 . 1 1 5 5 ASP CA C 5 54.422 54.422 55.216 -0.794 19710 3970 1 13 . 1 1 5 5 ASP CB C 5 41.179 41.179 40.721 0.458 19710 3971 1 13 . 1 1 5 5 ASP H H 5 8.028 8.028 8.433 -0.405 19710 3972 1 13 . 1 1 6 6 LEU N N 6 121.200 121.200 118.203 2.997 19710 3973 1 13 . 1 1 6 6 LEU HA H 6 4.135 4.135 3.656 0.479 19710 3974 1 13 . 1 1 6 6 LEU C C 6 176.638 176.638 176.845 -0.207 19710 3975 1 13 . 1 1 6 6 LEU CA C 6 55.097 55.097 55.272 -0.175 19710 3976 1 13 . 1 1 6 6 LEU CB C 6 42.364 42.364 41.508 0.856 19710 3977 1 13 . 1 1 6 6 LEU H H 6 7.873 7.873 7.579 0.294 19710 3978 1 13 . 1 1 7 7 TYR N N 7 121.938 121.938 113.395 8.543 19710 3979 1 13 . 1 1 7 7 TYR HA H 7 4.631 4.631 4.007 0.624 19710 3980 1 13 . 1 1 7 7 TYR C C 7 175.047 175.047 175.992 -0.945 19710 3981 1 13 . 1 1 7 7 TYR CA C 7 57.261 57.261 60.283 -3.022 19710 3982 1 13 . 1 1 7 7 TYR CB C 7 38.921 38.921 36.867 2.054 19710 3983 1 13 . 1 1 7 7 TYR H H 7 8.011 8.011 7.371 0.640 19710 3984 1 13 . 1 1 8 8 GLU N N 8 122.393 122.393 121.278 1.115 19710 3985 1 13 . 1 1 8 8 GLU HA H 8 4.769 4.769 4.709 0.060 19710 3986 1 13 . 1 1 8 8 GLU C C 8 175.583 175.583 174.832 0.751 19710 3987 1 13 . 1 1 8 8 GLU CA C 8 54.988 54.988 55.243 -0.255 19710 3988 1 13 . 1 1 8 8 GLU CB C 8 32.551 32.551 31.824 0.727 19710 3989 1 13 . 1 1 8 8 GLU H H 8 9.047 9.047 8.152 0.895 19710 3990 1 13 . 1 1 9 9 VAL N N 9 126.546 126.546 124.208 2.338 19710 3991 1 13 . 1 1 9 9 VAL HA H 9 3.092 3.092 4.268 -1.176 19710 3992 1 13 . 1 1 9 9 VAL C C 9 175.170 175.170 175.370 -0.200 19710 3993 1 13 . 1 1 9 9 VAL CA C 9 64.309 64.309 63.096 1.213 19710 3994 1 13 . 1 1 9 9 VAL CB C 9 32.983 32.983 32.599 0.384 19710 3995 1 13 . 1 1 9 9 VAL H H 9 8.677 8.677 8.475 0.202 19710 3996 1 13 . 1 1 10 10 GLU N N 10 126.674 126.674 129.351 -2.677 19710 3997 1 13 . 1 1 10 10 GLU HA H 10 4.234 4.234 4.286 -0.052 19710 3998 1 13 . 1 1 10 10 GLU C C 10 175.505 175.505 177.090 -1.585 19710 3999 1 13 . 1 1 10 10 GLU CA C 10 57.459 57.459 58.410 -0.951 19710 4000 1 13 . 1 1 10 10 GLU CB C 10 31.296 31.296 30.739 0.557 19710 4001 1 13 . 1 1 10 10 GLU H H 10 9.120 9.120 8.866 0.254 19710 4002 1 13 . 1 1 11 11 ARG N N 11 111.321 111.321 112.128 -0.807 19710 4003 1 13 . 1 1 11 11 ARG HA H 11 4.115 4.115 4.698 -0.583 19710 4004 1 13 . 1 1 11 11 ARG C C 11 172.330 172.330 173.859 -1.529 19710 4005 1 13 . 1 1 11 11 ARG CA C 11 54.723 54.723 55.471 -0.748 19710 4006 1 13 . 1 1 11 11 ARG CB C 11 32.309 32.309 31.573 0.736 19710 4007 1 13 . 1 1 11 11 ARG H H 11 7.476 7.476 7.687 -0.211 19710 4008 1 13 . 1 1 12 12 ILE N N 12 120.610 120.610 119.904 0.706 19710 4009 1 13 . 1 1 12 12 ILE HA H 12 4.085 4.085 4.146 -0.061 19710 4010 1 13 . 1 1 12 12 ILE C C 12 175.353 175.353 176.477 -1.124 19710 4011 1 13 . 1 1 12 12 ILE CA C 12 60.515 60.515 61.845 -1.330 19710 4012 1 13 . 1 1 12 12 ILE CB C 12 38.338 38.338 37.897 0.441 19710 4013 1 13 . 1 1 12 12 ILE H H 12 8.295 8.295 8.727 -0.432 19710 4014 1 13 . 1 1 13 13 VAL N N 13 122.026 122.026 126.198 -4.172 19710 4015 1 13 . 1 1 13 13 VAL HA H 13 4.047 4.047 3.991 0.056 19710 4016 1 13 . 1 1 13 13 VAL C C 13 175.311 175.311 176.004 -0.693 19710 4017 1 13 . 1 1 13 13 VAL CA C 13 62.460 62.460 64.301 -1.841 19710 4018 1 13 . 1 1 13 13 VAL CB C 13 33.344 33.344 32.819 0.525 19710 4019 1 13 . 1 1 13 13 VAL H H 13 8.939 8.939 8.922 0.017 19710 4020 1 13 . 1 1 14 14 ASP N N 14 117.407 117.407 114.797 2.610 19710 4021 1 13 . 1 1 14 14 ASP HA H 14 4.776 4.776 5.003 -0.227 19710 4022 1 13 . 1 1 14 14 ASP C C 14 173.374 173.374 173.586 -0.212 19710 4023 1 13 . 1 1 14 14 ASP CA C 14 53.034 53.034 53.072 -0.038 19710 4024 1 13 . 1 1 14 14 ASP CB C 14 43.749 43.749 43.647 0.102 19710 4025 1 13 . 1 1 14 14 ASP H H 14 7.236 7.236 7.618 -0.382 19710 4026 1 13 . 1 1 15 15 LYS N N 15 118.628 118.628 118.191 0.437 19710 4027 1 13 . 1 1 15 15 LYS HA H 15 5.517 5.517 4.461 1.056 19710 4028 1 13 . 1 1 15 15 LYS C C 15 173.885 173.885 174.688 -0.803 19710 4029 1 13 . 1 1 15 15 LYS CA C 15 55.716 55.716 54.767 0.949 19710 4030 1 13 . 1 1 15 15 LYS CB C 15 37.575 37.575 35.423 2.152 19710 4031 1 13 . 1 1 15 15 LYS H H 15 9.430 9.430 8.279 1.151 19710 4032 1 13 . 1 1 16 16 ARG N N 16 120.175 120.175 117.111 3.064 19710 4033 1 13 . 1 1 16 16 ARG HA H 16 4.872 4.872 4.523 0.349 19710 4034 1 13 . 1 1 16 16 ARG C C 16 172.365 172.365 173.964 -1.599 19710 4035 1 13 . 1 1 16 16 ARG CA C 16 54.680 54.680 55.106 -0.426 19710 4036 1 13 . 1 1 16 16 ARG CB C 16 32.460 32.460 32.183 0.277 19710 4037 1 13 . 1 1 16 16 ARG H H 16 9.326 9.326 8.558 0.768 19710 4038 1 13 . 1 1 17 17 LYS N N 17 122.374 122.374 120.801 1.573 19710 4039 1 13 . 1 1 17 17 LYS HA H 17 4.306 4.306 4.651 -0.345 19710 4040 1 13 . 1 1 17 17 LYS C C 17 176.978 176.978 176.865 0.113 19710 4041 1 13 . 1 1 17 17 LYS CA C 17 54.557 54.557 54.933 -0.376 19710 4042 1 13 . 1 1 17 17 LYS CB C 17 33.310 33.310 33.090 0.221 19710 4043 1 13 . 1 1 17 17 LYS H H 17 8.480 8.480 8.425 0.055 19710 4044 1 13 . 1 1 18 18 ASN N N 18 123.092 123.092 123.440 -0.348 19710 4045 1 13 . 1 1 18 18 ASN HA H 18 4.482 4.482 4.479 0.003 19710 4046 1 13 . 1 1 18 18 ASN CA C 18 50.611 50.611 53.929 -3.318 19710 4047 1 13 . 1 1 18 18 ASN CB C 18 39.055 39.055 40.063 -1.008 19710 4048 1 13 . 1 1 18 18 ASN H H 18 8.736 8.736 8.522 0.214 19710 4049 1 13 . 1 1 19 19 LYS HA H 19 3.939 3.939 4.084 -0.145 19710 4050 1 13 . 1 1 19 19 LYS C C 19 177.548 177.548 177.484 0.064 19710 4051 1 13 . 1 1 19 19 LYS CA C 19 58.543 58.543 58.328 0.214 19710 4052 1 13 . 1 1 19 19 LYS CB C 19 31.933 31.933 31.906 0.027 19710 4053 1 13 . 1 1 20 20 LYS N N 20 117.362 117.362 118.854 -1.492 19710 4054 1 13 . 1 1 20 20 LYS HA H 20 4.262 4.262 4.297 -0.035 19710 4055 1 13 . 1 1 20 20 LYS C C 20 176.514 176.514 176.340 0.174 19710 4056 1 13 . 1 1 20 20 LYS CA C 20 55.489 55.489 55.378 0.111 19710 4057 1 13 . 1 1 20 20 LYS CB C 20 32.105 32.105 32.564 -0.459 19710 4058 1 13 . 1 1 20 20 LYS H H 20 7.491 7.491 7.951 -0.460 19710 4059 1 13 . 1 1 21 21 GLY N N 21 107.275 107.275 108.993 -1.718 19710 4060 1 13 . 1 1 21 21 GLY C C 21 173.503 173.503 173.830 -0.327 19710 4061 1 13 . 1 1 21 21 GLY CA C 21 45.413 45.413 45.647 -0.234 19710 4062 1 13 . 1 1 21 21 GLY H H 21 7.966 7.966 7.670 0.296 19710 4063 1 13 . 1 1 22 22 LYS N N 22 119.753 119.753 119.049 0.704 19710 4064 1 13 . 1 1 22 22 LYS HA H 22 4.380 4.380 4.108 0.272 19710 4065 1 13 . 1 1 22 22 LYS C C 22 175.319 175.319 176.474 -1.155 19710 4066 1 13 . 1 1 22 22 LYS CA C 22 53.197 53.197 54.940 -1.743 19710 4067 1 13 . 1 1 22 22 LYS CB C 22 33.531 33.531 33.212 0.319 19710 4068 1 13 . 1 1 22 22 LYS H H 22 7.457 7.457 7.721 -0.264 19710 4069 1 13 . 1 1 23 23 TRP N N 23 120.227 120.227 122.879 -2.652 19710 4070 1 13 . 1 1 23 23 TRP HA H 23 4.837 4.837 4.606 0.231 19710 4071 1 13 . 1 1 23 23 TRP C C 23 176.246 176.246 175.895 0.351 19710 4072 1 13 . 1 1 23 23 TRP CA C 23 57.338 57.338 57.645 -0.307 19710 4073 1 13 . 1 1 23 23 TRP CB C 23 31.142 31.142 29.177 1.964 19710 4074 1 13 . 1 1 23 23 TRP H H 23 8.564 8.564 8.906 -0.342 19710 4075 1 13 . 1 1 24 24 GLU N N 24 120.044 120.044 121.624 -1.580 19710 4076 1 13 . 1 1 24 24 GLU HA H 24 4.921 4.921 5.205 -0.284 19710 4077 1 13 . 1 1 24 24 GLU C C 24 174.505 174.505 175.222 -0.717 19710 4078 1 13 . 1 1 24 24 GLU CA C 24 54.223 54.223 54.912 -0.689 19710 4079 1 13 . 1 1 24 24 GLU CB C 24 33.711 33.711 34.298 -0.588 19710 4080 1 13 . 1 1 24 24 GLU H H 24 9.257 9.257 8.293 0.964 19710 4081 1 13 . 1 1 25 25 TYR N N 25 118.993 118.993 120.857 -1.864 19710 4082 1 13 . 1 1 25 25 TYR HA H 25 5.017 5.017 4.663 0.354 19710 4083 1 13 . 1 1 25 25 TYR C C 25 173.068 173.068 174.462 -1.394 19710 4084 1 13 . 1 1 25 25 TYR CA C 25 57.173 57.173 56.883 0.290 19710 4085 1 13 . 1 1 25 25 TYR CB C 25 41.873 41.873 41.381 0.492 19710 4086 1 13 . 1 1 25 25 TYR H H 25 9.119 9.119 9.449 -0.330 19710 4087 1 13 . 1 1 26 26 LEU N N 26 128.028 128.028 125.625 2.403 19710 4088 1 13 . 1 1 26 26 LEU HA H 26 3.632 3.632 4.207 -0.575 19710 4089 1 13 . 1 1 26 26 LEU C C 26 173.813 173.813 175.030 -1.217 19710 4090 1 13 . 1 1 26 26 LEU CA C 26 53.371 53.371 54.975 -1.604 19710 4091 1 13 . 1 1 26 26 LEU CB C 26 39.946 39.946 41.817 -1.871 19710 4092 1 13 . 1 1 26 26 LEU H H 26 7.788 7.788 8.227 -0.439 19710 4093 1 13 . 1 1 27 27 ILE N N 27 130.050 130.050 126.342 3.708 19710 4094 1 13 . 1 1 27 27 ILE HA H 27 3.604 3.604 4.614 -1.010 19710 4095 1 13 . 1 1 27 27 ILE C C 27 173.398 173.398 174.656 -1.258 19710 4096 1 13 . 1 1 27 27 ILE CA C 27 58.760 58.760 58.508 0.252 19710 4097 1 13 . 1 1 27 27 ILE CB C 27 38.186 38.186 39.590 -1.405 19710 4098 1 13 . 1 1 27 27 ILE H H 27 8.752 8.752 8.878 -0.126 19710 4099 1 13 . 1 1 28 28 ARG N N 28 123.071 123.071 124.057 -0.986 19710 4100 1 13 . 1 1 28 28 ARG HA H 28 4.474 4.474 4.437 0.037 19710 4101 1 13 . 1 1 28 28 ARG C C 28 174.476 174.476 174.455 0.021 19710 4102 1 13 . 1 1 28 28 ARG CA C 28 52.104 52.104 54.740 -2.636 19710 4103 1 13 . 1 1 28 28 ARG CB C 28 29.007 29.007 32.177 -3.170 19710 4104 1 13 . 1 1 28 28 ARG H H 28 7.453 7.453 8.270 -0.817 19710 4105 1 13 . 1 1 29 29 TRP N N 29 132.787 132.787 120.201 12.586 19710 4106 1 13 . 1 1 29 29 TRP HA H 29 4.731 4.731 5.314 -0.583 19710 4107 1 13 . 1 1 29 29 TRP C C 29 176.623 176.623 174.639 1.984 19710 4108 1 13 . 1 1 29 29 TRP CA C 29 55.653 55.653 53.730 1.923 19710 4109 1 13 . 1 1 29 29 TRP CB C 29 31.065 31.065 31.466 -0.401 19710 4110 1 13 . 1 1 29 29 TRP H H 29 9.197 9.197 8.200 0.997 19710 4111 1 13 . 1 1 30 30 LYS N N 30 122.843 122.843 123.104 -0.261 19710 4112 1 13 . 1 1 30 30 LYS HA H 30 4.212 4.212 4.215 -0.003 19710 4113 1 13 . 1 1 30 30 LYS C C 30 177.688 177.688 177.437 0.251 19710 4114 1 13 . 1 1 30 30 LYS CA C 30 58.203 58.203 58.583 -0.380 19710 4115 1 13 . 1 1 30 30 LYS CB C 30 33.152 33.152 33.149 0.003 19710 4116 1 13 . 1 1 30 30 LYS H H 30 9.134 9.134 8.660 0.474 19710 4117 1 13 . 1 1 31 31 GLY N N 31 113.057 113.057 112.895 0.162 19710 4118 1 13 . 1 1 31 31 GLY C C 31 173.562 173.562 174.617 -1.055 19710 4119 1 13 . 1 1 31 31 GLY CA C 31 44.973 44.973 45.607 -0.634 19710 4120 1 13 . 1 1 31 31 GLY H H 31 8.646 8.646 8.729 -0.083 19710 4121 1 13 . 1 1 32 32 TYR N N 32 119.993 119.993 121.379 -1.386 19710 4122 1 13 . 1 1 32 32 TYR HA H 32 4.620 4.620 4.775 -0.155 19710 4123 1 13 . 1 1 32 32 TYR C C 32 175.254 175.254 176.493 -1.239 19710 4124 1 13 . 1 1 32 32 TYR CA C 32 57.742 57.742 59.103 -1.361 19710 4125 1 13 . 1 1 32 32 TYR CB C 32 40.377 40.377 40.718 -0.341 19710 4126 1 13 . 1 1 32 32 TYR H H 32 8.119 8.119 7.821 0.298 19710 4127 1 13 . 1 1 33 33 GLY N N 33 106.930 106.930 108.444 -1.514 19710 4128 1 13 . 1 1 33 33 GLY CA C 33 44.052 44.052 46.358 -2.306 19710 4129 1 13 . 1 1 33 33 GLY H H 33 8.510 8.510 8.208 0.302 19710 4130 1 13 . 1 1 34 34 SER HA H 34 4.437 4.437 4.099 0.338 19710 4131 1 13 . 1 1 34 34 SER C C 34 176.594 176.594 176.576 0.018 19710 4132 1 13 . 1 1 34 34 SER CA C 34 60.033 60.033 61.149 -1.116 19710 4133 1 13 . 1 1 34 34 SER CB C 34 63.310 63.310 63.110 0.200 19710 4134 1 13 . 1 1 35 35 THR N N 35 113.722 113.722 114.197 -0.475 19710 4135 1 13 . 1 1 35 35 THR HA H 35 4.117 4.117 4.193 -0.076 19710 4136 1 13 . 1 1 35 35 THR C C 35 175.474 175.474 175.250 0.224 19710 4137 1 13 . 1 1 35 35 THR CA C 35 63.751 63.751 63.865 -0.114 19710 4138 1 13 . 1 1 35 35 THR CB C 35 68.542 68.542 68.329 0.213 19710 4139 1 13 . 1 1 35 35 THR H H 35 7.788 7.788 8.039 -0.251 19710 4140 1 13 . 1 1 36 36 GLU N N 36 120.073 120.073 121.589 -1.516 19710 4141 1 13 . 1 1 36 36 GLU HA H 36 4.386 4.386 3.958 0.428 19710 4142 1 13 . 1 1 36 36 GLU C C 36 175.013 175.013 176.026 -1.013 19710 4143 1 13 . 1 1 36 36 GLU CA C 36 55.865 55.865 57.171 -1.306 19710 4144 1 13 . 1 1 36 36 GLU CB C 36 29.794 29.794 29.693 0.101 19710 4145 1 13 . 1 1 36 36 GLU H H 36 7.825 7.825 7.618 0.207 19710 4146 1 13 . 1 1 37 37 ASP N N 37 121.647 121.647 119.006 2.641 19710 4147 1 13 . 1 1 37 37 ASP HA H 37 5.075 5.075 4.008 1.067 19710 4148 1 13 . 1 1 37 37 ASP C C 37 178.071 178.071 175.602 2.469 19710 4149 1 13 . 1 1 37 37 ASP CA C 37 55.606 55.606 54.700 0.906 19710 4150 1 13 . 1 1 37 37 ASP CB C 37 39.712 39.712 39.202 0.510 19710 4151 1 13 . 1 1 37 37 ASP H H 37 7.386 7.386 7.798 -0.412 19710 4152 1 13 . 1 1 38 38 THR N N 38 111.963 111.963 114.277 -2.314 19710 4153 1 13 . 1 1 38 38 THR HA H 38 4.675 4.675 4.268 0.407 19710 4154 1 13 . 1 1 38 38 THR C C 38 173.399 173.399 174.076 -0.677 19710 4155 1 13 . 1 1 38 38 THR CA C 38 59.483 59.483 60.188 -0.704 19710 4156 1 13 . 1 1 38 38 THR CB C 38 71.810 71.810 71.432 0.378 19710 4157 1 13 . 1 1 38 38 THR H H 38 7.821 7.821 7.836 -0.015 19710 4158 1 13 . 1 1 39 39 TRP N N 39 123.340 123.340 127.599 -4.259 19710 4159 1 13 . 1 1 39 39 TRP HA H 39 4.835 4.835 4.866 -0.031 19710 4160 1 13 . 1 1 39 39 TRP C C 39 177.090 177.090 175.412 1.678 19710 4161 1 13 . 1 1 39 39 TRP CA C 39 56.443 56.443 56.678 -0.235 19710 4162 1 13 . 1 1 39 39 TRP CB C 39 29.574 29.574 28.526 1.048 19710 4163 1 13 . 1 1 39 39 TRP H H 39 8.546 8.546 8.861 -0.315 19710 4164 1 13 . 1 1 40 40 GLU N N 40 124.822 124.822 124.647 0.175 19710 4165 1 13 . 1 1 40 40 GLU HA H 40 5.196 5.196 4.981 0.215 19710 4166 1 13 . 1 1 40 40 GLU CA C 40 51.859 51.859 52.667 -0.808 19710 4167 1 13 . 1 1 40 40 GLU CB C 40 31.934 31.934 30.860 1.074 19710 4168 1 13 . 1 1 40 40 GLU H H 40 9.710 9.710 8.655 1.055 19710 4169 1 13 . 1 1 41 41 PRO HA H 41 4.783 4.783 5.057 -0.274 19710 4170 1 13 . 1 1 41 41 PRO C C 41 178.201 178.201 178.470 -0.269 19710 4171 1 13 . 1 1 41 41 PRO CA C 41 62.030 62.030 62.669 -0.639 19710 4172 1 13 . 1 1 41 41 PRO CB C 41 32.833 32.833 33.004 -0.171 19710 4173 1 13 . 1 1 42 42 GLU N N 42 118.959 118.959 122.587 -3.628 19710 4174 1 13 . 1 1 42 42 GLU HA H 42 3.984 3.984 3.937 0.047 19710 4175 1 13 . 1 1 42 42 GLU C C 42 177.841 177.841 177.586 0.255 19710 4176 1 13 . 1 1 42 42 GLU CA C 42 60.156 60.156 60.051 0.105 19710 4177 1 13 . 1 1 42 42 GLU CB C 42 30.554 30.554 29.965 0.589 19710 4178 1 13 . 1 1 42 42 GLU H H 42 8.531 8.531 8.556 -0.025 19710 4179 1 13 . 1 1 43 43 HIS N N 43 113.679 113.679 114.954 -1.275 19710 4180 1 13 . 1 1 43 43 HIS HA H 43 4.592 4.592 4.344 0.248 19710 4181 1 13 . 1 1 43 43 HIS C C 43 176.547 176.547 175.294 1.253 19710 4182 1 13 . 1 1 43 43 HIS CA C 43 58.187 58.187 57.754 0.433 19710 4183 1 13 . 1 1 43 43 HIS CB C 43 29.362 29.362 29.362 0.000 19710 4184 1 13 . 1 1 43 43 HIS H H 43 7.998 7.998 8.659 -0.661 19710 4185 1 13 . 1 1 44 44 HIS N N 44 119.428 119.428 115.249 4.179 19710 4186 1 13 . 1 1 44 44 HIS HA H 44 4.886 4.886 4.632 0.254 19710 4187 1 13 . 1 1 44 44 HIS C C 44 175.566 175.566 175.912 -0.346 19710 4188 1 13 . 1 1 44 44 HIS CA C 44 55.392 55.392 56.060 -0.668 19710 4189 1 13 . 1 1 44 44 HIS CB C 44 30.049 30.049 32.629 -2.580 19710 4190 1 13 . 1 1 44 44 HIS H H 44 7.755 7.755 7.874 -0.119 19710 4191 1 13 . 1 1 45 45 LEU N N 45 119.789 119.789 118.780 1.009 19710 4192 1 13 . 1 1 45 45 LEU HA H 45 4.580 4.580 4.301 0.279 19710 4193 1 13 . 1 1 45 45 LEU C C 45 176.926 176.926 176.016 0.910 19710 4194 1 13 . 1 1 45 45 LEU CA C 45 53.930 53.930 57.423 -3.493 19710 4195 1 13 . 1 1 45 45 LEU CB C 45 42.010 42.010 42.689 -0.679 19710 4196 1 13 . 1 1 45 45 LEU H H 45 7.601 7.601 7.782 -0.181 19710 4197 1 13 . 1 1 46 46 LEU N N 46 121.462 121.462 114.717 6.745 19710 4198 1 13 . 1 1 46 46 LEU HA H 46 4.100 4.100 4.284 -0.184 19710 4199 1 13 . 1 1 46 46 LEU CA C 46 56.925 56.925 53.830 3.095 19710 4200 1 13 . 1 1 46 46 LEU CB C 46 41.703 41.703 44.185 -2.482 19710 4201 1 13 . 1 1 46 46 LEU H H 46 7.696 7.696 7.430 0.266 19710 4202 1 13 . 1 1 47 47 HIS HA H 47 4.742 4.742 4.417 0.325 19710 4203 1 13 . 1 1 47 47 HIS C C 47 175.940 175.940 174.545 1.395 19710 4204 1 13 . 1 1 47 47 HIS CA C 47 56.483 56.483 57.279 -0.796 19710 4205 1 13 . 1 1 47 47 HIS CB C 47 29.209 29.209 30.779 -1.570 19710 4206 1 13 . 1 1 48 48 CYS N N 48 118.214 118.214 119.035 -0.821 19710 4207 1 13 . 1 1 48 48 CYS HA H 48 4.902 4.902 4.675 0.227 19710 4208 1 13 . 1 1 48 48 CYS C C 48 174.988 174.988 175.281 -0.293 19710 4209 1 13 . 1 1 48 48 CYS CA C 48 57.439 57.439 57.906 -0.467 19710 4210 1 13 . 1 1 48 48 CYS CB C 48 28.038 28.038 30.632 -2.594 19710 4211 1 13 . 1 1 48 48 CYS H H 48 7.823 7.823 7.670 0.153 19710 4212 1 13 . 1 1 49 49 GLU N N 49 122.478 122.478 123.947 -1.469 19710 4213 1 13 . 1 1 49 49 GLU HA H 49 3.718 3.718 4.062 -0.344 19710 4214 1 13 . 1 1 49 49 GLU C C 49 177.607 177.607 177.290 0.317 19710 4215 1 13 . 1 1 49 49 GLU CA C 49 60.496 60.496 58.626 1.870 19710 4216 1 13 . 1 1 49 49 GLU CB C 49 29.391 29.391 29.854 -0.463 19710 4217 1 13 . 1 1 49 49 GLU H H 49 8.524 8.524 9.005 -0.481 19710 4218 1 13 . 1 1 50 50 GLU N N 50 118.424 118.424 118.403 0.021 19710 4219 1 13 . 1 1 50 50 GLU HA H 50 4.035 4.035 4.070 -0.035 19710 4220 1 13 . 1 1 50 50 GLU C C 50 178.942 178.942 178.771 0.171 19710 4221 1 13 . 1 1 50 50 GLU CA C 50 59.341 59.341 59.075 0.265 19710 4222 1 13 . 1 1 50 50 GLU CB C 50 28.492 28.492 28.660 -0.168 19710 4223 1 13 . 1 1 50 50 GLU H H 50 9.192 9.192 8.898 0.294 19710 4224 1 13 . 1 1 51 51 PHE N N 51 117.631 117.631 117.508 0.123 19710 4225 1 13 . 1 1 51 51 PHE HA H 51 4.345 4.345 4.601 -0.256 19710 4226 1 13 . 1 1 51 51 PHE C C 51 179.013 179.013 178.259 0.754 19710 4227 1 13 . 1 1 51 51 PHE CA C 51 59.916 59.916 60.810 -0.894 19710 4228 1 13 . 1 1 51 51 PHE CB C 51 38.425 38.425 38.329 0.096 19710 4229 1 13 . 1 1 51 51 PHE H H 51 7.350 7.350 7.858 -0.508 19710 4230 1 13 . 1 1 52 52 ILE N N 52 123.512 123.512 119.209 4.303 19710 4231 1 13 . 1 1 52 52 ILE HA H 52 3.260 3.260 3.842 -0.582 19710 4232 1 13 . 1 1 52 52 ILE C C 52 177.036 177.036 177.701 -0.665 19710 4233 1 13 . 1 1 52 52 ILE CA C 52 65.356 65.356 64.071 1.285 19710 4234 1 13 . 1 1 52 52 ILE CB C 52 38.172 38.172 37.382 0.791 19710 4235 1 13 . 1 1 52 52 ILE H H 52 7.625 7.625 7.372 0.253 19710 4236 1 13 . 1 1 53 53 ASP N N 53 120.257 120.257 120.139 0.118 19710 4237 1 13 . 1 1 53 53 ASP HA H 53 4.302 4.302 4.377 -0.075 19710 4238 1 13 . 1 1 53 53 ASP C C 53 179.243 179.243 178.349 0.894 19710 4239 1 13 . 1 1 53 53 ASP CA C 53 57.343 57.343 57.888 -0.545 19710 4240 1 13 . 1 1 53 53 ASP CB C 53 40.085 40.085 40.963 -0.878 19710 4241 1 13 . 1 1 53 53 ASP H H 53 8.144 8.144 8.091 0.053 19710 4242 1 13 . 1 1 54 54 GLU N N 54 119.707 119.707 119.290 0.417 19710 4243 1 13 . 1 1 54 54 GLU HA H 54 3.944 3.944 4.031 -0.087 19710 4244 1 13 . 1 1 54 54 GLU C C 54 178.652 178.652 178.726 -0.074 19710 4245 1 13 . 1 1 54 54 GLU CA C 54 59.071 59.071 58.600 0.471 19710 4246 1 13 . 1 1 54 54 GLU CB C 54 29.765 29.765 29.177 0.588 19710 4247 1 13 . 1 1 54 54 GLU H H 54 7.875 7.875 7.768 0.107 19710 4248 1 13 . 1 1 55 55 PHE N N 55 120.573 120.573 122.405 -1.832 19710 4249 1 13 . 1 1 55 55 PHE HA H 55 4.138 4.138 4.262 -0.124 19710 4250 1 13 . 1 1 55 55 PHE C C 55 177.460 177.460 176.735 0.725 19710 4251 1 13 . 1 1 55 55 PHE CA C 55 61.425 61.425 61.028 0.397 19710 4252 1 13 . 1 1 55 55 PHE CB C 55 39.347 39.347 39.331 0.016 19710 4253 1 13 . 1 1 55 55 PHE H H 55 7.784 7.784 8.196 -0.412 19710 4254 1 13 . 1 1 56 56 ASN N N 56 117.284 117.284 117.124 0.160 19710 4255 1 13 . 1 1 56 56 ASN HA H 56 4.349 4.349 4.230 0.119 19710 4256 1 13 . 1 1 56 56 ASN C C 56 177.227 177.227 177.986 -0.759 19710 4257 1 13 . 1 1 56 56 ASN CA C 56 54.592 54.592 55.464 -0.872 19710 4258 1 13 . 1 1 56 56 ASN CB C 56 37.947 37.947 37.978 -0.031 19710 4259 1 13 . 1 1 56 56 ASN H H 56 8.563 8.563 8.067 0.496 19710 4260 1 13 . 1 1 57 57 GLY N N 57 107.640 107.640 108.143 -0.503 19710 4261 1 13 . 1 1 57 57 GLY C C 57 174.906 174.906 175.146 -0.240 19710 4262 1 13 . 1 1 57 57 GLY CA C 57 46.079 46.079 46.603 -0.524 19710 4263 1 13 . 1 1 57 57 GLY H H 57 7.890 7.890 7.677 0.213 19710 4264 1 13 . 1 1 58 58 LEU N N 58 120.735 120.735 116.743 3.992 19710 4265 1 13 . 1 1 58 58 LEU HA H 58 4.110 4.110 4.413 -0.303 19710 4266 1 13 . 1 1 58 58 LEU C C 58 177.607 177.607 177.803 -0.196 19710 4267 1 13 . 1 1 58 58 LEU CA C 58 55.836 55.836 56.697 -0.861 19710 4268 1 13 . 1 1 58 58 LEU CB C 58 42.340 42.340 41.679 0.661 19710 4269 1 13 . 1 1 58 58 LEU H H 58 7.528 7.528 7.545 -0.017 19710 4270 1 13 . 1 1 59 59 HIS N N 59 118.359 118.359 118.119 0.240 19710 4271 1 13 . 1 1 59 59 HIS HA H 59 4.417 4.417 4.393 0.024 19710 4272 1 13 . 1 1 59 59 HIS C C 59 175.499 175.499 174.724 0.775 19710 4273 1 13 . 1 1 59 59 HIS CA C 59 56.604 56.604 58.015 -1.411 19710 4274 1 13 . 1 1 59 59 HIS CB C 59 30.480 30.480 30.941 -0.461 19710 4275 1 13 . 1 1 59 59 HIS H H 59 7.875 7.875 8.044 -0.169 19710 4276 1 13 . 1 1 60 60 MET N N 60 120.255 120.255 119.736 0.519 19710 4277 1 13 . 1 1 60 60 MET HA H 60 4.365 4.365 4.457 -0.092 19710 4278 1 13 . 1 1 60 60 MET CA C 60 55.643 55.643 54.773 0.870 19710 4279 1 13 . 1 1 60 60 MET CB C 60 32.684 32.684 33.241 -0.557 19710 4280 1 13 . 1 1 60 60 MET H H 60 7.884 7.884 7.395 0.489 19710 4281 1 13 . 1 1 62 62 LYS HA H 62 4.301 4.301 4.414 -0.113 19710 4282 1 13 . 1 1 62 62 LYS C C 62 176.168 176.168 174.779 1.389 19710 4283 1 13 . 1 1 62 62 LYS CA C 62 56.312 56.312 56.159 0.153 19710 4284 1 13 . 1 1 62 62 LYS CB C 62 32.975 32.975 34.094 -1.119 19710 4285 1 13 . 1 1 63 63 ASP N N 63 121.259 121.259 124.164 -2.905 19710 4286 1 13 . 1 1 63 63 ASP HA H 63 4.540 4.540 4.599 -0.059 19710 4287 1 13 . 1 1 63 63 ASP C C 63 175.024 175.024 176.573 -1.549 19710 4288 1 13 . 1 1 63 63 ASP CA C 63 54.569 54.569 53.651 0.918 19710 4289 1 13 . 1 1 63 63 ASP CB C 63 41.120 41.120 41.754 -0.634 19710 4290 1 13 . 1 1 63 63 ASP H H 63 8.263 8.263 8.305 -0.042 19710 4291 1 14 . 1 1 2 2 ALA HA H 2 4.257 4.257 4.562 -0.305 19710 4292 1 14 . 1 1 2 2 ALA CA C 2 52.527 52.527 51.317 1.210 19710 4293 1 14 . 1 1 2 2 ALA CB C 2 19.363 19.363 19.465 -0.102 19710 4294 1 14 . 1 1 4 4 GLY C C 4 173.756 173.756 172.265 1.491 19710 4295 1 14 . 1 1 4 4 GLY CA C 4 45.291 45.291 44.472 0.819 19710 4296 1 14 . 1 1 5 5 ASP N N 5 120.203 120.203 118.386 1.817 19710 4297 1 14 . 1 1 5 5 ASP HA H 5 4.451 4.451 4.354 0.097 19710 4298 1 14 . 1 1 5 5 ASP C C 5 175.671 175.671 176.432 -0.761 19710 4299 1 14 . 1 1 5 5 ASP CA C 5 54.422 54.422 55.226 -0.804 19710 4300 1 14 . 1 1 5 5 ASP CB C 5 41.179 41.179 41.185 -0.006 19710 4301 1 14 . 1 1 5 5 ASP H H 5 8.028 8.028 8.152 -0.124 19710 4302 1 14 . 1 1 6 6 LEU N N 6 121.200 121.200 120.153 1.047 19710 4303 1 14 . 1 1 6 6 LEU HA H 6 4.135 4.135 4.381 -0.246 19710 4304 1 14 . 1 1 6 6 LEU C C 6 176.638 176.638 176.172 0.466 19710 4305 1 14 . 1 1 6 6 LEU CA C 6 55.097 55.097 53.668 1.429 19710 4306 1 14 . 1 1 6 6 LEU CB C 6 42.364 42.364 40.119 2.245 19710 4307 1 14 . 1 1 6 6 LEU H H 6 7.873 7.873 7.478 0.395 19710 4308 1 14 . 1 1 7 7 TYR N N 7 121.938 121.938 121.929 0.009 19710 4309 1 14 . 1 1 7 7 TYR HA H 7 4.631 4.631 4.040 0.591 19710 4310 1 14 . 1 1 7 7 TYR C C 7 175.047 175.047 176.461 -1.414 19710 4311 1 14 . 1 1 7 7 TYR CA C 7 57.261 57.261 60.309 -3.048 19710 4312 1 14 . 1 1 7 7 TYR CB C 7 38.921 38.921 38.868 0.053 19710 4313 1 14 . 1 1 7 7 TYR H H 7 8.011 8.011 7.025 0.986 19710 4314 1 14 . 1 1 8 8 GLU N N 8 122.393 122.393 117.123 5.270 19710 4315 1 14 . 1 1 8 8 GLU HA H 8 4.769 4.769 4.570 0.199 19710 4316 1 14 . 1 1 8 8 GLU C C 8 175.583 175.583 174.790 0.793 19710 4317 1 14 . 1 1 8 8 GLU CA C 8 54.988 54.988 55.099 -0.111 19710 4318 1 14 . 1 1 8 8 GLU CB C 8 32.551 32.551 31.421 1.130 19710 4319 1 14 . 1 1 8 8 GLU H H 8 9.047 9.047 7.890 1.157 19710 4320 1 14 . 1 1 9 9 VAL N N 9 126.546 126.546 125.149 1.397 19710 4321 1 14 . 1 1 9 9 VAL HA H 9 3.092 3.092 4.559 -1.467 19710 4322 1 14 . 1 1 9 9 VAL C C 9 175.170 175.170 174.936 0.234 19710 4323 1 14 . 1 1 9 9 VAL CA C 9 64.309 64.309 63.301 1.008 19710 4324 1 14 . 1 1 9 9 VAL CB C 9 32.983 32.983 32.809 0.174 19710 4325 1 14 . 1 1 9 9 VAL H H 9 8.677 8.677 8.491 0.186 19710 4326 1 14 . 1 1 10 10 GLU N N 10 126.674 126.674 128.347 -1.673 19710 4327 1 14 . 1 1 10 10 GLU HA H 10 4.234 4.234 4.342 -0.108 19710 4328 1 14 . 1 1 10 10 GLU C C 10 175.505 175.505 176.608 -1.103 19710 4329 1 14 . 1 1 10 10 GLU CA C 10 57.459 57.459 58.626 -1.167 19710 4330 1 14 . 1 1 10 10 GLU CB C 10 31.296 31.296 30.918 0.379 19710 4331 1 14 . 1 1 10 10 GLU H H 10 9.120 9.120 8.987 0.133 19710 4332 1 14 . 1 1 11 11 ARG N N 11 111.321 111.321 113.031 -1.710 19710 4333 1 14 . 1 1 11 11 ARG HA H 11 4.115 4.115 4.912 -0.797 19710 4334 1 14 . 1 1 11 11 ARG C C 11 172.330 172.330 174.302 -1.972 19710 4335 1 14 . 1 1 11 11 ARG CA C 11 54.723 54.723 54.704 0.019 19710 4336 1 14 . 1 1 11 11 ARG CB C 11 32.309 32.309 32.881 -0.572 19710 4337 1 14 . 1 1 11 11 ARG H H 11 7.476 7.476 7.680 -0.204 19710 4338 1 14 . 1 1 12 12 ILE N N 12 120.610 120.610 120.829 -0.219 19710 4339 1 14 . 1 1 12 12 ILE HA H 12 4.085 4.085 4.199 -0.114 19710 4340 1 14 . 1 1 12 12 ILE C C 12 175.353 175.353 176.573 -1.220 19710 4341 1 14 . 1 1 12 12 ILE CA C 12 60.515 60.515 61.694 -1.179 19710 4342 1 14 . 1 1 12 12 ILE CB C 12 38.338 38.338 37.698 0.640 19710 4343 1 14 . 1 1 12 12 ILE H H 12 8.295 8.295 8.793 -0.498 19710 4344 1 14 . 1 1 13 13 VAL N N 13 122.026 122.026 128.720 -6.694 19710 4345 1 14 . 1 1 13 13 VAL HA H 13 4.047 4.047 3.827 0.220 19710 4346 1 14 . 1 1 13 13 VAL C C 13 175.311 175.311 176.421 -1.110 19710 4347 1 14 . 1 1 13 13 VAL CA C 13 62.460 62.460 65.422 -2.962 19710 4348 1 14 . 1 1 13 13 VAL CB C 13 33.344 33.344 32.489 0.855 19710 4349 1 14 . 1 1 13 13 VAL H H 13 8.939 8.939 8.765 0.174 19710 4350 1 14 . 1 1 14 14 ASP N N 14 117.407 117.407 115.243 2.164 19710 4351 1 14 . 1 1 14 14 ASP HA H 14 4.776 4.776 4.926 -0.150 19710 4352 1 14 . 1 1 14 14 ASP C C 14 173.374 173.374 173.432 -0.058 19710 4353 1 14 . 1 1 14 14 ASP CA C 14 53.034 53.034 53.274 -0.240 19710 4354 1 14 . 1 1 14 14 ASP CB C 14 43.749 43.749 43.173 0.576 19710 4355 1 14 . 1 1 14 14 ASP H H 14 7.236 7.236 7.890 -0.654 19710 4356 1 14 . 1 1 15 15 LYS N N 15 118.628 118.628 118.147 0.481 19710 4357 1 14 . 1 1 15 15 LYS HA H 15 5.517 5.517 4.346 1.171 19710 4358 1 14 . 1 1 15 15 LYS C C 15 173.885 173.885 174.783 -0.898 19710 4359 1 14 . 1 1 15 15 LYS CA C 15 55.716 55.716 54.778 0.938 19710 4360 1 14 . 1 1 15 15 LYS CB C 15 37.575 37.575 34.597 2.978 19710 4361 1 14 . 1 1 15 15 LYS H H 15 9.430 9.430 8.126 1.304 19710 4362 1 14 . 1 1 16 16 ARG N N 16 120.175 120.175 116.499 3.676 19710 4363 1 14 . 1 1 16 16 ARG HA H 16 4.872 4.872 4.483 0.389 19710 4364 1 14 . 1 1 16 16 ARG C C 16 172.365 172.365 173.321 -0.956 19710 4365 1 14 . 1 1 16 16 ARG CA C 16 54.680 54.680 54.578 0.102 19710 4366 1 14 . 1 1 16 16 ARG CB C 16 32.460 32.460 31.962 0.498 19710 4367 1 14 . 1 1 16 16 ARG H H 16 9.326 9.326 8.438 0.888 19710 4368 1 14 . 1 1 17 17 LYS N N 17 122.374 122.374 120.514 1.860 19710 4369 1 14 . 1 1 17 17 LYS HA H 17 4.306 4.306 4.820 -0.514 19710 4370 1 14 . 1 1 17 17 LYS C C 17 176.978 176.978 176.624 0.354 19710 4371 1 14 . 1 1 17 17 LYS CA C 17 54.557 54.557 54.718 -0.161 19710 4372 1 14 . 1 1 17 17 LYS CB C 17 33.310 33.310 33.529 -0.219 19710 4373 1 14 . 1 1 17 17 LYS H H 17 8.480 8.480 8.359 0.121 19710 4374 1 14 . 1 1 18 18 ASN N N 18 123.092 123.092 123.335 -0.243 19710 4375 1 14 . 1 1 18 18 ASN HA H 18 4.482 4.482 4.643 -0.161 19710 4376 1 14 . 1 1 18 18 ASN CA C 18 50.611 50.611 53.773 -3.162 19710 4377 1 14 . 1 1 18 18 ASN CB C 18 39.055 39.055 40.122 -1.067 19710 4378 1 14 . 1 1 18 18 ASN H H 18 8.736 8.736 8.399 0.337 19710 4379 1 14 . 1 1 19 19 LYS HA H 19 3.939 3.939 4.085 -0.146 19710 4380 1 14 . 1 1 19 19 LYS C C 19 177.548 177.548 177.437 0.111 19710 4381 1 14 . 1 1 19 19 LYS CA C 19 58.543 58.543 58.371 0.172 19710 4382 1 14 . 1 1 19 19 LYS CB C 19 31.933 31.933 31.867 0.066 19710 4383 1 14 . 1 1 20 20 LYS N N 20 117.362 117.362 118.060 -0.698 19710 4384 1 14 . 1 1 20 20 LYS HA H 20 4.262 4.262 4.446 -0.184 19710 4385 1 14 . 1 1 20 20 LYS C C 20 176.514 176.514 176.277 0.237 19710 4386 1 14 . 1 1 20 20 LYS CA C 20 55.489 55.489 54.758 0.730 19710 4387 1 14 . 1 1 20 20 LYS CB C 20 32.105 32.105 31.918 0.187 19710 4388 1 14 . 1 1 20 20 LYS H H 20 7.491 7.491 7.979 -0.488 19710 4389 1 14 . 1 1 21 21 GLY N N 21 107.275 107.275 108.340 -1.065 19710 4390 1 14 . 1 1 21 21 GLY C C 21 173.503 173.503 173.713 -0.210 19710 4391 1 14 . 1 1 21 21 GLY CA C 21 45.413 45.413 45.648 -0.235 19710 4392 1 14 . 1 1 21 21 GLY H H 21 7.966 7.966 7.602 0.364 19710 4393 1 14 . 1 1 22 22 LYS N N 22 119.753 119.753 118.027 1.726 19710 4394 1 14 . 1 1 22 22 LYS HA H 22 4.380 4.380 4.254 0.126 19710 4395 1 14 . 1 1 22 22 LYS C C 22 175.319 175.319 176.260 -0.941 19710 4396 1 14 . 1 1 22 22 LYS CA C 22 53.197 53.197 54.569 -1.372 19710 4397 1 14 . 1 1 22 22 LYS CB C 22 33.531 33.531 33.388 0.143 19710 4398 1 14 . 1 1 22 22 LYS H H 22 7.457 7.457 7.578 -0.121 19710 4399 1 14 . 1 1 23 23 TRP N N 23 120.227 120.227 121.980 -1.753 19710 4400 1 14 . 1 1 23 23 TRP HA H 23 4.837 4.837 4.658 0.179 19710 4401 1 14 . 1 1 23 23 TRP C C 23 176.246 176.246 175.911 0.335 19710 4402 1 14 . 1 1 23 23 TRP CA C 23 57.338 57.338 57.587 -0.249 19710 4403 1 14 . 1 1 23 23 TRP CB C 23 31.142 31.142 29.119 2.023 19710 4404 1 14 . 1 1 23 23 TRP H H 23 8.564 8.564 9.065 -0.501 19710 4405 1 14 . 1 1 24 24 GLU N N 24 120.044 120.044 122.026 -1.982 19710 4406 1 14 . 1 1 24 24 GLU HA H 24 4.921 4.921 5.083 -0.162 19710 4407 1 14 . 1 1 24 24 GLU C C 24 174.505 174.505 175.344 -0.839 19710 4408 1 14 . 1 1 24 24 GLU CA C 24 54.223 54.223 54.832 -0.609 19710 4409 1 14 . 1 1 24 24 GLU CB C 24 33.711 33.711 33.947 -0.236 19710 4410 1 14 . 1 1 24 24 GLU H H 24 9.257 9.257 8.471 0.786 19710 4411 1 14 . 1 1 25 25 TYR N N 25 118.993 118.993 121.018 -2.025 19710 4412 1 14 . 1 1 25 25 TYR HA H 25 5.017 5.017 4.649 0.368 19710 4413 1 14 . 1 1 25 25 TYR C C 25 173.068 173.068 174.224 -1.156 19710 4414 1 14 . 1 1 25 25 TYR CA C 25 57.173 57.173 57.113 0.060 19710 4415 1 14 . 1 1 25 25 TYR CB C 25 41.873 41.873 41.487 0.386 19710 4416 1 14 . 1 1 25 25 TYR H H 25 9.119 9.119 9.235 -0.116 19710 4417 1 14 . 1 1 26 26 LEU N N 26 128.028 128.028 125.756 2.272 19710 4418 1 14 . 1 1 26 26 LEU HA H 26 3.632 3.632 4.687 -1.055 19710 4419 1 14 . 1 1 26 26 LEU C C 26 173.813 173.813 175.391 -1.578 19710 4420 1 14 . 1 1 26 26 LEU CA C 26 53.371 53.371 55.071 -1.700 19710 4421 1 14 . 1 1 26 26 LEU CB C 26 39.946 39.946 42.288 -2.342 19710 4422 1 14 . 1 1 26 26 LEU H H 26 7.788 7.788 8.238 -0.450 19710 4423 1 14 . 1 1 27 27 ILE N N 27 130.050 130.050 127.127 2.923 19710 4424 1 14 . 1 1 27 27 ILE HA H 27 3.604 3.604 4.767 -1.163 19710 4425 1 14 . 1 1 27 27 ILE C C 27 173.398 173.398 174.251 -0.853 19710 4426 1 14 . 1 1 27 27 ILE CA C 27 58.760 58.760 58.429 0.331 19710 4427 1 14 . 1 1 27 27 ILE CB C 27 38.186 38.186 40.545 -2.359 19710 4428 1 14 . 1 1 27 27 ILE H H 27 8.752 8.752 9.225 -0.473 19710 4429 1 14 . 1 1 28 28 ARG N N 28 123.071 123.071 119.293 3.778 19710 4430 1 14 . 1 1 28 28 ARG HA H 28 4.474 4.474 5.077 -0.603 19710 4431 1 14 . 1 1 28 28 ARG C C 28 174.476 174.476 175.712 -1.236 19710 4432 1 14 . 1 1 28 28 ARG CA C 28 52.104 52.104 53.584 -1.480 19710 4433 1 14 . 1 1 28 28 ARG CB C 28 29.007 29.007 33.357 -4.350 19710 4434 1 14 . 1 1 28 28 ARG H H 28 7.453 7.453 8.476 -1.023 19710 4435 1 14 . 1 1 29 29 TRP N N 29 132.787 132.787 122.641 10.146 19710 4436 1 14 . 1 1 29 29 TRP HA H 29 4.731 4.731 5.118 -0.387 19710 4437 1 14 . 1 1 29 29 TRP C C 29 176.623 176.623 177.037 -0.414 19710 4438 1 14 . 1 1 29 29 TRP CA C 29 55.653 55.653 54.677 0.976 19710 4439 1 14 . 1 1 29 29 TRP CB C 29 31.065 31.065 30.613 0.452 19710 4440 1 14 . 1 1 29 29 TRP H H 29 9.197 9.197 8.249 0.948 19710 4441 1 14 . 1 1 30 30 LYS N N 30 122.843 122.843 121.008 1.835 19710 4442 1 14 . 1 1 30 30 LYS HA H 30 4.212 4.212 4.116 0.096 19710 4443 1 14 . 1 1 30 30 LYS C C 30 177.688 177.688 177.777 -0.089 19710 4444 1 14 . 1 1 30 30 LYS CA C 30 58.203 58.203 58.011 0.192 19710 4445 1 14 . 1 1 30 30 LYS CB C 30 33.152 33.152 32.926 0.226 19710 4446 1 14 . 1 1 30 30 LYS H H 30 9.134 9.134 8.736 0.398 19710 4447 1 14 . 1 1 31 31 GLY N N 31 113.057 113.057 113.681 -0.624 19710 4448 1 14 . 1 1 31 31 GLY C C 31 173.562 173.562 173.784 -0.222 19710 4449 1 14 . 1 1 31 31 GLY CA C 31 44.973 44.973 44.885 0.088 19710 4450 1 14 . 1 1 31 31 GLY H H 31 8.646 8.646 9.034 -0.388 19710 4451 1 14 . 1 1 32 32 TYR N N 32 119.993 119.993 121.587 -1.594 19710 4452 1 14 . 1 1 32 32 TYR HA H 32 4.620 4.620 4.718 -0.098 19710 4453 1 14 . 1 1 32 32 TYR C C 32 175.254 175.254 175.173 0.081 19710 4454 1 14 . 1 1 32 32 TYR CA C 32 57.742 57.742 56.918 0.824 19710 4455 1 14 . 1 1 32 32 TYR CB C 32 40.377 40.377 40.009 0.368 19710 4456 1 14 . 1 1 32 32 TYR H H 32 8.119 8.119 7.506 0.613 19710 4457 1 14 . 1 1 33 33 GLY N N 33 106.930 106.930 110.174 -3.244 19710 4458 1 14 . 1 1 33 33 GLY CA C 33 44.052 44.052 44.912 -0.860 19710 4459 1 14 . 1 1 33 33 GLY H H 33 8.510 8.510 8.420 0.090 19710 4460 1 14 . 1 1 34 34 SER HA H 34 4.437 4.437 4.672 -0.235 19710 4461 1 14 . 1 1 34 34 SER C C 34 176.594 176.594 176.869 -0.275 19710 4462 1 14 . 1 1 34 34 SER CA C 34 60.033 60.033 60.534 -0.501 19710 4463 1 14 . 1 1 34 34 SER CB C 34 63.310 63.310 62.998 0.312 19710 4464 1 14 . 1 1 35 35 THR N N 35 113.722 113.722 114.654 -0.932 19710 4465 1 14 . 1 1 35 35 THR HA H 35 4.117 4.117 4.116 0.001 19710 4466 1 14 . 1 1 35 35 THR C C 35 175.474 175.474 175.600 -0.126 19710 4467 1 14 . 1 1 35 35 THR CA C 35 63.751 63.751 63.978 -0.227 19710 4468 1 14 . 1 1 35 35 THR CB C 35 68.542 68.542 68.511 0.031 19710 4469 1 14 . 1 1 35 35 THR H H 35 7.788 7.788 8.101 -0.313 19710 4470 1 14 . 1 1 36 36 GLU N N 36 120.073 120.073 120.688 -0.615 19710 4471 1 14 . 1 1 36 36 GLU HA H 36 4.386 4.386 4.073 0.313 19710 4472 1 14 . 1 1 36 36 GLU C C 36 175.013 175.013 176.129 -1.116 19710 4473 1 14 . 1 1 36 36 GLU CA C 36 55.865 55.865 57.142 -1.277 19710 4474 1 14 . 1 1 36 36 GLU CB C 36 29.794 29.794 29.983 -0.189 19710 4475 1 14 . 1 1 36 36 GLU H H 36 7.825 7.825 7.473 0.352 19710 4476 1 14 . 1 1 37 37 ASP N N 37 121.647 121.647 120.574 1.073 19710 4477 1 14 . 1 1 37 37 ASP HA H 37 5.075 5.075 4.405 0.670 19710 4478 1 14 . 1 1 37 37 ASP C C 37 178.071 178.071 176.124 1.947 19710 4479 1 14 . 1 1 37 37 ASP CA C 37 55.606 55.606 55.336 0.270 19710 4480 1 14 . 1 1 37 37 ASP CB C 37 39.712 39.712 39.583 0.129 19710 4481 1 14 . 1 1 37 37 ASP H H 37 7.386 7.386 7.771 -0.385 19710 4482 1 14 . 1 1 38 38 THR N N 38 111.963 111.963 115.557 -3.594 19710 4483 1 14 . 1 1 38 38 THR HA H 38 4.675 4.675 4.280 0.395 19710 4484 1 14 . 1 1 38 38 THR C C 38 173.399 173.399 173.680 -0.281 19710 4485 1 14 . 1 1 38 38 THR CA C 38 59.483 59.483 60.382 -0.899 19710 4486 1 14 . 1 1 38 38 THR CB C 38 71.810 71.810 70.467 1.343 19710 4487 1 14 . 1 1 38 38 THR H H 38 7.821 7.821 8.107 -0.286 19710 4488 1 14 . 1 1 39 39 TRP N N 39 123.340 123.340 127.296 -3.956 19710 4489 1 14 . 1 1 39 39 TRP HA H 39 4.835 4.835 5.292 -0.457 19710 4490 1 14 . 1 1 39 39 TRP C C 39 177.090 177.090 175.688 1.402 19710 4491 1 14 . 1 1 39 39 TRP CA C 39 56.443 56.443 54.927 1.516 19710 4492 1 14 . 1 1 39 39 TRP CB C 39 29.574 29.574 28.961 0.613 19710 4493 1 14 . 1 1 39 39 TRP H H 39 8.546 8.546 7.754 0.792 19710 4494 1 14 . 1 1 40 40 GLU N N 40 124.822 124.822 125.221 -0.399 19710 4495 1 14 . 1 1 40 40 GLU HA H 40 5.196 5.196 4.781 0.415 19710 4496 1 14 . 1 1 40 40 GLU CA C 40 51.859 51.859 53.107 -1.248 19710 4497 1 14 . 1 1 40 40 GLU CB C 40 31.934 31.934 30.347 1.587 19710 4498 1 14 . 1 1 40 40 GLU H H 40 9.710 9.710 8.451 1.259 19710 4499 1 14 . 1 1 41 41 PRO HA H 41 4.783 4.783 4.907 -0.124 19710 4500 1 14 . 1 1 41 41 PRO C C 41 178.201 178.201 178.179 0.022 19710 4501 1 14 . 1 1 41 41 PRO CA C 41 62.030 62.030 62.661 -0.631 19710 4502 1 14 . 1 1 41 41 PRO CB C 41 32.833 32.833 33.083 -0.249 19710 4503 1 14 . 1 1 42 42 GLU N N 42 118.959 118.959 124.083 -5.124 19710 4504 1 14 . 1 1 42 42 GLU HA H 42 3.984 3.984 3.999 -0.015 19710 4505 1 14 . 1 1 42 42 GLU C C 42 177.841 177.841 178.405 -0.564 19710 4506 1 14 . 1 1 42 42 GLU CA C 42 60.156 60.156 59.569 0.587 19710 4507 1 14 . 1 1 42 42 GLU CB C 42 30.554 30.554 29.570 0.984 19710 4508 1 14 . 1 1 42 42 GLU H H 42 8.531 8.531 8.459 0.072 19710 4509 1 14 . 1 1 43 43 HIS N N 43 113.679 113.679 115.214 -1.535 19710 4510 1 14 . 1 1 43 43 HIS HA H 43 4.592 4.592 4.382 0.210 19710 4511 1 14 . 1 1 43 43 HIS C C 43 176.547 176.547 175.652 0.895 19710 4512 1 14 . 1 1 43 43 HIS CA C 43 58.187 58.187 57.523 0.664 19710 4513 1 14 . 1 1 43 43 HIS CB C 43 29.362 29.362 29.403 -0.041 19710 4514 1 14 . 1 1 43 43 HIS H H 43 7.998 7.998 8.168 -0.170 19710 4515 1 14 . 1 1 44 44 HIS N N 44 119.428 119.428 114.480 4.948 19710 4516 1 14 . 1 1 44 44 HIS HA H 44 4.886 4.886 4.790 0.096 19710 4517 1 14 . 1 1 44 44 HIS C C 44 175.566 175.566 175.290 0.276 19710 4518 1 14 . 1 1 44 44 HIS CA C 44 55.392 55.392 55.819 -0.427 19710 4519 1 14 . 1 1 44 44 HIS CB C 44 30.049 30.049 31.805 -1.756 19710 4520 1 14 . 1 1 44 44 HIS H H 44 7.755 7.755 7.769 -0.014 19710 4521 1 14 . 1 1 45 45 LEU N N 45 119.789 119.789 120.071 -0.282 19710 4522 1 14 . 1 1 45 45 LEU HA H 45 4.580 4.580 4.259 0.321 19710 4523 1 14 . 1 1 45 45 LEU C C 45 176.926 176.926 175.743 1.183 19710 4524 1 14 . 1 1 45 45 LEU CA C 45 53.930 53.930 57.172 -3.242 19710 4525 1 14 . 1 1 45 45 LEU CB C 45 42.010 42.010 42.962 -0.952 19710 4526 1 14 . 1 1 45 45 LEU H H 45 7.601 7.601 7.440 0.161 19710 4527 1 14 . 1 1 46 46 LEU N N 46 121.462 121.462 114.716 6.746 19710 4528 1 14 . 1 1 46 46 LEU HA H 46 4.100 4.100 4.371 -0.271 19710 4529 1 14 . 1 1 46 46 LEU CA C 46 56.925 56.925 53.889 3.036 19710 4530 1 14 . 1 1 46 46 LEU CB C 46 41.703 41.703 44.977 -3.274 19710 4531 1 14 . 1 1 46 46 LEU H H 46 7.696 7.696 7.583 0.113 19710 4532 1 14 . 1 1 47 47 HIS HA H 47 4.742 4.742 4.490 0.252 19710 4533 1 14 . 1 1 47 47 HIS C C 47 175.940 175.940 174.545 1.395 19710 4534 1 14 . 1 1 47 47 HIS CA C 47 56.483 56.483 56.644 -0.161 19710 4535 1 14 . 1 1 47 47 HIS CB C 47 29.209 29.209 30.356 -1.147 19710 4536 1 14 . 1 1 48 48 CYS N N 48 118.214 118.214 120.771 -2.557 19710 4537 1 14 . 1 1 48 48 CYS HA H 48 4.902 4.902 4.613 0.289 19710 4538 1 14 . 1 1 48 48 CYS C C 48 174.988 174.988 175.536 -0.548 19710 4539 1 14 . 1 1 48 48 CYS CA C 48 57.439 57.439 57.961 -0.522 19710 4540 1 14 . 1 1 48 48 CYS CB C 48 28.038 28.038 30.347 -2.309 19710 4541 1 14 . 1 1 48 48 CYS H H 48 7.823 7.823 7.460 0.363 19710 4542 1 14 . 1 1 49 49 GLU N N 49 122.478 122.478 125.959 -3.481 19710 4543 1 14 . 1 1 49 49 GLU HA H 49 3.718 3.718 4.062 -0.344 19710 4544 1 14 . 1 1 49 49 GLU C C 49 177.607 177.607 177.397 0.210 19710 4545 1 14 . 1 1 49 49 GLU CA C 49 60.496 60.496 58.382 2.114 19710 4546 1 14 . 1 1 49 49 GLU CB C 49 29.391 29.391 29.337 0.054 19710 4547 1 14 . 1 1 49 49 GLU H H 49 8.524 8.524 9.100 -0.576 19710 4548 1 14 . 1 1 50 50 GLU N N 50 118.424 118.424 118.574 -0.150 19710 4549 1 14 . 1 1 50 50 GLU HA H 50 4.035 4.035 3.983 0.052 19710 4550 1 14 . 1 1 50 50 GLU C C 50 178.942 178.942 178.635 0.307 19710 4551 1 14 . 1 1 50 50 GLU CA C 50 59.341 59.341 59.185 0.156 19710 4552 1 14 . 1 1 50 50 GLU CB C 50 28.492 28.492 29.080 -0.588 19710 4553 1 14 . 1 1 50 50 GLU H H 50 9.192 9.192 8.831 0.361 19710 4554 1 14 . 1 1 51 51 PHE N N 51 117.631 117.631 116.625 1.006 19710 4555 1 14 . 1 1 51 51 PHE HA H 51 4.345 4.345 4.280 0.065 19710 4556 1 14 . 1 1 51 51 PHE C C 51 179.013 179.013 177.685 1.328 19710 4557 1 14 . 1 1 51 51 PHE CA C 51 59.916 59.916 61.395 -1.479 19710 4558 1 14 . 1 1 51 51 PHE CB C 51 38.425 38.425 38.584 -0.159 19710 4559 1 14 . 1 1 51 51 PHE H H 51 7.350 7.350 7.641 -0.291 19710 4560 1 14 . 1 1 52 52 ILE N N 52 123.512 123.512 119.364 4.148 19710 4561 1 14 . 1 1 52 52 ILE HA H 52 3.260 3.260 3.727 -0.467 19710 4562 1 14 . 1 1 52 52 ILE C C 52 177.036 177.036 177.670 -0.634 19710 4563 1 14 . 1 1 52 52 ILE CA C 52 65.356 65.356 64.302 1.054 19710 4564 1 14 . 1 1 52 52 ILE CB C 52 38.172 38.172 37.471 0.701 19710 4565 1 14 . 1 1 52 52 ILE H H 52 7.625 7.625 7.816 -0.191 19710 4566 1 14 . 1 1 53 53 ASP N N 53 120.257 120.257 120.305 -0.048 19710 4567 1 14 . 1 1 53 53 ASP HA H 53 4.302 4.302 4.351 -0.049 19710 4568 1 14 . 1 1 53 53 ASP C C 53 179.243 179.243 178.388 0.855 19710 4569 1 14 . 1 1 53 53 ASP CA C 53 57.343 57.343 57.894 -0.551 19710 4570 1 14 . 1 1 53 53 ASP CB C 53 40.085 40.085 41.021 -0.936 19710 4571 1 14 . 1 1 53 53 ASP H H 53 8.144 8.144 8.280 -0.136 19710 4572 1 14 . 1 1 54 54 GLU N N 54 119.707 119.707 120.022 -0.315 19710 4573 1 14 . 1 1 54 54 GLU HA H 54 3.944 3.944 4.022 -0.078 19710 4574 1 14 . 1 1 54 54 GLU C C 54 178.652 178.652 178.544 0.108 19710 4575 1 14 . 1 1 54 54 GLU CA C 54 59.071 59.071 59.090 -0.019 19710 4576 1 14 . 1 1 54 54 GLU CB C 54 29.765 29.765 29.618 0.147 19710 4577 1 14 . 1 1 54 54 GLU H H 54 7.875 7.875 7.852 0.023 19710 4578 1 14 . 1 1 55 55 PHE N N 55 120.573 120.573 120.397 0.176 19710 4579 1 14 . 1 1 55 55 PHE HA H 55 4.138 4.138 4.268 -0.130 19710 4580 1 14 . 1 1 55 55 PHE C C 55 177.460 177.460 177.131 0.329 19710 4581 1 14 . 1 1 55 55 PHE CA C 55 61.425 61.425 60.819 0.606 19710 4582 1 14 . 1 1 55 55 PHE CB C 55 39.347 39.347 38.993 0.354 19710 4583 1 14 . 1 1 55 55 PHE H H 55 7.784 7.784 7.998 -0.214 19710 4584 1 14 . 1 1 56 56 ASN N N 56 117.284 117.284 117.494 -0.210 19710 4585 1 14 . 1 1 56 56 ASN HA H 56 4.349 4.349 4.173 0.176 19710 4586 1 14 . 1 1 56 56 ASN C C 56 177.227 177.227 178.009 -0.782 19710 4587 1 14 . 1 1 56 56 ASN CA C 56 54.592 54.592 56.244 -1.652 19710 4588 1 14 . 1 1 56 56 ASN CB C 56 37.947 37.947 38.357 -0.410 19710 4589 1 14 . 1 1 56 56 ASN H H 56 8.563 8.563 7.939 0.624 19710 4590 1 14 . 1 1 57 57 GLY N N 57 107.640 107.640 107.920 -0.280 19710 4591 1 14 . 1 1 57 57 GLY C C 57 174.906 174.906 175.577 -0.671 19710 4592 1 14 . 1 1 57 57 GLY CA C 57 46.079 46.079 47.080 -1.001 19710 4593 1 14 . 1 1 57 57 GLY H H 57 7.890 7.890 7.819 0.071 19710 4594 1 14 . 1 1 58 58 LEU N N 58 120.735 120.735 116.160 4.575 19710 4595 1 14 . 1 1 58 58 LEU HA H 58 4.110 4.110 4.444 -0.334 19710 4596 1 14 . 1 1 58 58 LEU C C 58 177.607 177.607 177.177 0.430 19710 4597 1 14 . 1 1 58 58 LEU CA C 58 55.836 55.836 56.256 -0.420 19710 4598 1 14 . 1 1 58 58 LEU CB C 58 42.340 42.340 41.743 0.597 19710 4599 1 14 . 1 1 58 58 LEU H H 58 7.528 7.528 7.535 -0.007 19710 4600 1 14 . 1 1 59 59 HIS N N 59 118.359 118.359 117.453 0.906 19710 4601 1 14 . 1 1 59 59 HIS HA H 59 4.417 4.417 4.547 -0.130 19710 4602 1 14 . 1 1 59 59 HIS C C 59 175.499 175.499 174.806 0.693 19710 4603 1 14 . 1 1 59 59 HIS CA C 59 56.604 56.604 56.300 0.304 19710 4604 1 14 . 1 1 59 59 HIS CB C 59 30.480 30.480 32.501 -2.021 19710 4605 1 14 . 1 1 59 59 HIS H H 59 7.875 7.875 7.792 0.083 19710 4606 1 14 . 1 1 60 60 MET N N 60 120.255 120.255 121.420 -1.165 19710 4607 1 14 . 1 1 60 60 MET HA H 60 4.365 4.365 4.318 0.047 19710 4608 1 14 . 1 1 60 60 MET CA C 60 55.643 55.643 54.247 1.396 19710 4609 1 14 . 1 1 60 60 MET CB C 60 32.684 32.684 32.149 0.535 19710 4610 1 14 . 1 1 60 60 MET H H 60 7.884 7.884 7.530 0.354 19710 4611 1 14 . 1 1 62 62 LYS HA H 62 4.301 4.301 4.438 -0.137 19710 4612 1 14 . 1 1 62 62 LYS C C 62 176.168 176.168 175.047 1.121 19710 4613 1 14 . 1 1 62 62 LYS CA C 62 56.312 56.312 55.711 0.601 19710 4614 1 14 . 1 1 62 62 LYS CB C 62 32.975 32.975 33.055 -0.080 19710 4615 1 14 . 1 1 63 63 ASP N N 63 121.259 121.259 123.200 -1.941 19710 4616 1 14 . 1 1 63 63 ASP HA H 63 4.540 4.540 4.680 -0.140 19710 4617 1 14 . 1 1 63 63 ASP C C 63 175.024 175.024 175.570 -0.546 19710 4618 1 14 . 1 1 63 63 ASP CA C 63 54.569 54.569 53.441 1.128 19710 4619 1 14 . 1 1 63 63 ASP CB C 63 41.120 41.120 42.202 -1.082 19710 4620 1 14 . 1 1 63 63 ASP H H 63 8.263 8.263 8.201 0.062 19710 4621 1 15 . 1 1 2 2 ALA HA H 2 4.257 4.257 4.772 -0.515 19710 4622 1 15 . 1 1 2 2 ALA CA C 2 52.527 52.527 51.548 0.979 19710 4623 1 15 . 1 1 2 2 ALA CB C 2 19.363 19.363 20.006 -0.643 19710 4624 1 15 . 1 1 4 4 GLY C C 4 173.756 173.756 173.413 0.343 19710 4625 1 15 . 1 1 4 4 GLY CA C 4 45.291 45.291 44.024 1.267 19710 4626 1 15 . 1 1 5 5 ASP N N 5 120.203 120.203 119.121 1.082 19710 4627 1 15 . 1 1 5 5 ASP HA H 5 4.451 4.451 4.304 0.147 19710 4628 1 15 . 1 1 5 5 ASP C C 5 175.671 175.671 176.807 -1.136 19710 4629 1 15 . 1 1 5 5 ASP CA C 5 54.422 54.422 53.487 0.935 19710 4630 1 15 . 1 1 5 5 ASP CB C 5 41.179 41.179 41.135 0.044 19710 4631 1 15 . 1 1 5 5 ASP H H 5 8.028 8.028 8.379 -0.351 19710 4632 1 15 . 1 1 6 6 LEU N N 6 121.200 121.200 122.959 -1.759 19710 4633 1 15 . 1 1 6 6 LEU HA H 6 4.135 4.135 4.254 -0.119 19710 4634 1 15 . 1 1 6 6 LEU C C 6 176.638 176.638 176.475 0.163 19710 4635 1 15 . 1 1 6 6 LEU CA C 6 55.097 55.097 53.874 1.223 19710 4636 1 15 . 1 1 6 6 LEU CB C 6 42.364 42.364 40.016 2.348 19710 4637 1 15 . 1 1 6 6 LEU H H 6 7.873 7.873 7.538 0.335 19710 4638 1 15 . 1 1 7 7 TYR N N 7 121.938 121.938 121.728 0.210 19710 4639 1 15 . 1 1 7 7 TYR HA H 7 4.631 4.631 4.009 0.622 19710 4640 1 15 . 1 1 7 7 TYR C C 7 175.047 175.047 176.381 -1.334 19710 4641 1 15 . 1 1 7 7 TYR CA C 7 57.261 57.261 61.227 -3.966 19710 4642 1 15 . 1 1 7 7 TYR CB C 7 38.921 38.921 38.578 0.343 19710 4643 1 15 . 1 1 7 7 TYR H H 7 8.011 8.011 7.326 0.685 19710 4644 1 15 . 1 1 8 8 GLU N N 8 122.393 122.393 117.408 4.985 19710 4645 1 15 . 1 1 8 8 GLU HA H 8 4.769 4.769 4.579 0.190 19710 4646 1 15 . 1 1 8 8 GLU C C 8 175.583 175.583 174.750 0.833 19710 4647 1 15 . 1 1 8 8 GLU CA C 8 54.988 54.988 55.294 -0.306 19710 4648 1 15 . 1 1 8 8 GLU CB C 8 32.551 32.551 32.045 0.506 19710 4649 1 15 . 1 1 8 8 GLU H H 8 9.047 9.047 8.378 0.669 19710 4650 1 15 . 1 1 9 9 VAL N N 9 126.546 126.546 122.022 4.524 19710 4651 1 15 . 1 1 9 9 VAL HA H 9 3.092 3.092 4.153 -1.061 19710 4652 1 15 . 1 1 9 9 VAL C C 9 175.170 175.170 175.567 -0.397 19710 4653 1 15 . 1 1 9 9 VAL CA C 9 64.309 64.309 62.384 1.925 19710 4654 1 15 . 1 1 9 9 VAL CB C 9 32.983 32.983 32.444 0.539 19710 4655 1 15 . 1 1 9 9 VAL H H 9 8.677 8.677 8.194 0.483 19710 4656 1 15 . 1 1 10 10 GLU N N 10 126.674 126.674 128.720 -2.046 19710 4657 1 15 . 1 1 10 10 GLU HA H 10 4.234 4.234 4.337 -0.103 19710 4658 1 15 . 1 1 10 10 GLU C C 10 175.505 175.505 177.050 -1.545 19710 4659 1 15 . 1 1 10 10 GLU CA C 10 57.459 57.459 57.897 -0.438 19710 4660 1 15 . 1 1 10 10 GLU CB C 10 31.296 31.296 30.919 0.377 19710 4661 1 15 . 1 1 10 10 GLU H H 10 9.120 9.120 8.896 0.224 19710 4662 1 15 . 1 1 11 11 ARG N N 11 111.321 111.321 113.067 -1.746 19710 4663 1 15 . 1 1 11 11 ARG HA H 11 4.115 4.115 4.864 -0.749 19710 4664 1 15 . 1 1 11 11 ARG C C 11 172.330 172.330 174.341 -2.011 19710 4665 1 15 . 1 1 11 11 ARG CA C 11 54.723 54.723 55.369 -0.646 19710 4666 1 15 . 1 1 11 11 ARG CB C 11 32.309 32.309 32.380 -0.071 19710 4667 1 15 . 1 1 11 11 ARG H H 11 7.476 7.476 7.789 -0.313 19710 4668 1 15 . 1 1 12 12 ILE N N 12 120.610 120.610 120.637 -0.027 19710 4669 1 15 . 1 1 12 12 ILE HA H 12 4.085 4.085 4.186 -0.101 19710 4670 1 15 . 1 1 12 12 ILE C C 12 175.353 175.353 176.468 -1.115 19710 4671 1 15 . 1 1 12 12 ILE CA C 12 60.515 60.515 62.294 -1.779 19710 4672 1 15 . 1 1 12 12 ILE CB C 12 38.338 38.338 37.892 0.446 19710 4673 1 15 . 1 1 12 12 ILE H H 12 8.295 8.295 8.963 -0.668 19710 4674 1 15 . 1 1 13 13 VAL N N 13 122.026 122.026 125.979 -3.953 19710 4675 1 15 . 1 1 13 13 VAL HA H 13 4.047 4.047 4.076 -0.029 19710 4676 1 15 . 1 1 13 13 VAL C C 13 175.311 175.311 176.465 -1.154 19710 4677 1 15 . 1 1 13 13 VAL CA C 13 62.460 62.460 64.185 -1.725 19710 4678 1 15 . 1 1 13 13 VAL CB C 13 33.344 33.344 32.444 0.900 19710 4679 1 15 . 1 1 13 13 VAL H H 13 8.939 8.939 8.838 0.101 19710 4680 1 15 . 1 1 14 14 ASP N N 14 117.407 117.407 115.469 1.938 19710 4681 1 15 . 1 1 14 14 ASP HA H 14 4.776 4.776 5.160 -0.384 19710 4682 1 15 . 1 1 14 14 ASP C C 14 173.374 173.374 173.697 -0.323 19710 4683 1 15 . 1 1 14 14 ASP CA C 14 53.034 53.034 53.456 -0.422 19710 4684 1 15 . 1 1 14 14 ASP CB C 14 43.749 43.749 43.324 0.425 19710 4685 1 15 . 1 1 14 14 ASP H H 14 7.236 7.236 7.980 -0.744 19710 4686 1 15 . 1 1 15 15 LYS N N 15 118.628 118.628 117.742 0.886 19710 4687 1 15 . 1 1 15 15 LYS HA H 15 5.517 5.517 4.481 1.036 19710 4688 1 15 . 1 1 15 15 LYS C C 15 173.885 173.885 175.012 -1.127 19710 4689 1 15 . 1 1 15 15 LYS CA C 15 55.716 55.716 54.855 0.861 19710 4690 1 15 . 1 1 15 15 LYS CB C 15 37.575 37.575 34.593 2.982 19710 4691 1 15 . 1 1 15 15 LYS H H 15 9.430 9.430 8.265 1.165 19710 4692 1 15 . 1 1 16 16 ARG N N 16 120.175 120.175 115.802 4.373 19710 4693 1 15 . 1 1 16 16 ARG HA H 16 4.872 4.872 4.547 0.325 19710 4694 1 15 . 1 1 16 16 ARG C C 16 172.365 172.365 173.505 -1.140 19710 4695 1 15 . 1 1 16 16 ARG CA C 16 54.680 54.680 54.851 -0.171 19710 4696 1 15 . 1 1 16 16 ARG CB C 16 32.460 32.460 31.788 0.672 19710 4697 1 15 . 1 1 16 16 ARG H H 16 9.326 9.326 8.493 0.833 19710 4698 1 15 . 1 1 17 17 LYS N N 17 122.374 122.374 120.883 1.491 19710 4699 1 15 . 1 1 17 17 LYS HA H 17 4.306 4.306 4.566 -0.260 19710 4700 1 15 . 1 1 17 17 LYS C C 17 176.978 176.978 176.738 0.240 19710 4701 1 15 . 1 1 17 17 LYS CA C 17 54.557 54.557 54.948 -0.391 19710 4702 1 15 . 1 1 17 17 LYS CB C 17 33.310 33.310 32.869 0.441 19710 4703 1 15 . 1 1 17 17 LYS H H 17 8.480 8.480 8.380 0.100 19710 4704 1 15 . 1 1 18 18 ASN N N 18 123.092 123.092 124.436 -1.344 19710 4705 1 15 . 1 1 18 18 ASN HA H 18 4.482 4.482 4.585 -0.103 19710 4706 1 15 . 1 1 18 18 ASN CA C 18 50.611 50.611 54.408 -3.797 19710 4707 1 15 . 1 1 18 18 ASN CB C 18 39.055 39.055 39.867 -0.812 19710 4708 1 15 . 1 1 18 18 ASN H H 18 8.736 8.736 8.434 0.302 19710 4709 1 15 . 1 1 19 19 LYS HA H 19 3.939 3.939 4.136 -0.197 19710 4710 1 15 . 1 1 19 19 LYS C C 19 177.548 177.548 177.436 0.112 19710 4711 1 15 . 1 1 19 19 LYS CA C 19 58.543 58.543 58.407 0.136 19710 4712 1 15 . 1 1 19 19 LYS CB C 19 31.933 31.933 31.536 0.397 19710 4713 1 15 . 1 1 20 20 LYS N N 20 117.362 117.362 119.534 -2.172 19710 4714 1 15 . 1 1 20 20 LYS HA H 20 4.262 4.262 4.276 -0.014 19710 4715 1 15 . 1 1 20 20 LYS C C 20 176.514 176.514 176.330 0.184 19710 4716 1 15 . 1 1 20 20 LYS CA C 20 55.489 55.489 55.702 -0.213 19710 4717 1 15 . 1 1 20 20 LYS CB C 20 32.105 32.105 32.514 -0.409 19710 4718 1 15 . 1 1 20 20 LYS H H 20 7.491 7.491 7.970 -0.479 19710 4719 1 15 . 1 1 21 21 GLY N N 21 107.275 107.275 108.448 -1.173 19710 4720 1 15 . 1 1 21 21 GLY C C 21 173.503 173.503 174.002 -0.499 19710 4721 1 15 . 1 1 21 21 GLY CA C 21 45.413 45.413 45.413 0.000 19710 4722 1 15 . 1 1 21 21 GLY H H 21 7.966 7.966 7.795 0.171 19710 4723 1 15 . 1 1 22 22 LYS N N 22 119.753 119.753 117.696 2.057 19710 4724 1 15 . 1 1 22 22 LYS HA H 22 4.380 4.380 4.176 0.204 19710 4725 1 15 . 1 1 22 22 LYS C C 22 175.319 175.319 175.916 -0.597 19710 4726 1 15 . 1 1 22 22 LYS CA C 22 53.197 53.197 54.375 -1.178 19710 4727 1 15 . 1 1 22 22 LYS CB C 22 33.531 33.531 33.643 -0.112 19710 4728 1 15 . 1 1 22 22 LYS H H 22 7.457 7.457 7.295 0.162 19710 4729 1 15 . 1 1 23 23 TRP N N 23 120.227 120.227 119.662 0.565 19710 4730 1 15 . 1 1 23 23 TRP HA H 23 4.837 4.837 4.730 0.107 19710 4731 1 15 . 1 1 23 23 TRP C C 23 176.246 176.246 175.701 0.545 19710 4732 1 15 . 1 1 23 23 TRP CA C 23 57.338 57.338 57.392 -0.054 19710 4733 1 15 . 1 1 23 23 TRP CB C 23 31.142 31.142 29.832 1.310 19710 4734 1 15 . 1 1 23 23 TRP H H 23 8.564 8.564 8.922 -0.358 19710 4735 1 15 . 1 1 24 24 GLU N N 24 120.044 120.044 121.006 -0.962 19710 4736 1 15 . 1 1 24 24 GLU HA H 24 4.921 4.921 4.805 0.116 19710 4737 1 15 . 1 1 24 24 GLU C C 24 174.505 174.505 175.013 -0.508 19710 4738 1 15 . 1 1 24 24 GLU CA C 24 54.223 54.223 54.980 -0.757 19710 4739 1 15 . 1 1 24 24 GLU CB C 24 33.711 33.711 34.432 -0.721 19710 4740 1 15 . 1 1 24 24 GLU H H 24 9.257 9.257 8.679 0.578 19710 4741 1 15 . 1 1 25 25 TYR N N 25 118.993 118.993 120.070 -1.077 19710 4742 1 15 . 1 1 25 25 TYR HA H 25 5.017 5.017 4.755 0.262 19710 4743 1 15 . 1 1 25 25 TYR C C 25 173.068 173.068 174.694 -1.626 19710 4744 1 15 . 1 1 25 25 TYR CA C 25 57.173 57.173 56.884 0.289 19710 4745 1 15 . 1 1 25 25 TYR CB C 25 41.873 41.873 41.591 0.282 19710 4746 1 15 . 1 1 25 25 TYR H H 25 9.119 9.119 9.224 -0.105 19710 4747 1 15 . 1 1 26 26 LEU N N 26 128.028 128.028 125.479 2.549 19710 4748 1 15 . 1 1 26 26 LEU HA H 26 3.632 3.632 4.623 -0.991 19710 4749 1 15 . 1 1 26 26 LEU C C 26 173.813 173.813 175.385 -1.572 19710 4750 1 15 . 1 1 26 26 LEU CA C 26 53.371 53.371 55.449 -2.078 19710 4751 1 15 . 1 1 26 26 LEU CB C 26 39.946 39.946 42.642 -2.696 19710 4752 1 15 . 1 1 26 26 LEU H H 26 7.788 7.788 8.332 -0.544 19710 4753 1 15 . 1 1 27 27 ILE N N 27 130.050 130.050 125.885 4.165 19710 4754 1 15 . 1 1 27 27 ILE HA H 27 3.604 3.604 4.790 -1.186 19710 4755 1 15 . 1 1 27 27 ILE C C 27 173.398 173.398 174.581 -1.183 19710 4756 1 15 . 1 1 27 27 ILE CA C 27 58.760 58.760 58.205 0.555 19710 4757 1 15 . 1 1 27 27 ILE CB C 27 38.186 38.186 40.565 -2.379 19710 4758 1 15 . 1 1 27 27 ILE H H 27 8.752 8.752 9.237 -0.485 19710 4759 1 15 . 1 1 28 28 ARG N N 28 123.071 123.071 121.073 1.998 19710 4760 1 15 . 1 1 28 28 ARG HA H 28 4.474 4.474 4.849 -0.375 19710 4761 1 15 . 1 1 28 28 ARG C C 28 174.476 174.476 174.757 -0.281 19710 4762 1 15 . 1 1 28 28 ARG CA C 28 52.104 52.104 54.679 -2.575 19710 4763 1 15 . 1 1 28 28 ARG CB C 28 29.007 29.007 32.692 -3.685 19710 4764 1 15 . 1 1 28 28 ARG H H 28 7.453 7.453 8.868 -1.415 19710 4765 1 15 . 1 1 29 29 TRP N N 29 132.787 132.787 121.810 10.977 19710 4766 1 15 . 1 1 29 29 TRP HA H 29 4.731 4.731 5.179 -0.448 19710 4767 1 15 . 1 1 29 29 TRP C C 29 176.623 176.623 174.727 1.896 19710 4768 1 15 . 1 1 29 29 TRP CA C 29 55.653 55.653 54.293 1.360 19710 4769 1 15 . 1 1 29 29 TRP CB C 29 31.065 31.065 30.904 0.161 19710 4770 1 15 . 1 1 29 29 TRP H H 29 9.197 9.197 8.585 0.612 19710 4771 1 15 . 1 1 30 30 LYS N N 30 122.843 122.843 124.419 -1.576 19710 4772 1 15 . 1 1 30 30 LYS HA H 30 4.212 4.212 4.062 0.150 19710 4773 1 15 . 1 1 30 30 LYS C C 30 177.688 177.688 177.427 0.261 19710 4774 1 15 . 1 1 30 30 LYS CA C 30 58.203 58.203 57.752 0.451 19710 4775 1 15 . 1 1 30 30 LYS CB C 30 33.152 33.152 32.782 0.370 19710 4776 1 15 . 1 1 30 30 LYS H H 30 9.134 9.134 8.654 0.480 19710 4777 1 15 . 1 1 31 31 GLY N N 31 113.057 113.057 112.674 0.383 19710 4778 1 15 . 1 1 31 31 GLY C C 31 173.562 173.562 174.464 -0.902 19710 4779 1 15 . 1 1 31 31 GLY CA C 31 44.973 44.973 45.429 -0.457 19710 4780 1 15 . 1 1 31 31 GLY H H 31 8.646 8.646 8.894 -0.248 19710 4781 1 15 . 1 1 32 32 TYR N N 32 119.993 119.993 120.877 -0.884 19710 4782 1 15 . 1 1 32 32 TYR HA H 32 4.620 4.620 4.569 0.051 19710 4783 1 15 . 1 1 32 32 TYR C C 32 175.254 175.254 176.568 -1.314 19710 4784 1 15 . 1 1 32 32 TYR CA C 32 57.742 57.742 59.005 -1.263 19710 4785 1 15 . 1 1 32 32 TYR CB C 32 40.377 40.377 40.079 0.298 19710 4786 1 15 . 1 1 32 32 TYR H H 32 8.119 8.119 7.286 0.833 19710 4787 1 15 . 1 1 33 33 GLY N N 33 106.930 106.930 107.966 -1.036 19710 4788 1 15 . 1 1 33 33 GLY CA C 33 44.052 44.052 46.375 -2.323 19710 4789 1 15 . 1 1 33 33 GLY H H 33 8.510 8.510 7.952 0.558 19710 4790 1 15 . 1 1 34 34 SER HA H 34 4.437 4.437 4.246 0.191 19710 4791 1 15 . 1 1 34 34 SER C C 34 176.594 176.594 176.289 0.305 19710 4792 1 15 . 1 1 34 34 SER CA C 34 60.033 60.033 61.631 -1.598 19710 4793 1 15 . 1 1 34 34 SER CB C 34 63.310 63.310 63.139 0.171 19710 4794 1 15 . 1 1 35 35 THR N N 35 113.722 113.722 114.282 -0.560 19710 4795 1 15 . 1 1 35 35 THR HA H 35 4.117 4.117 4.108 0.009 19710 4796 1 15 . 1 1 35 35 THR C C 35 175.474 175.474 175.497 -0.023 19710 4797 1 15 . 1 1 35 35 THR CA C 35 63.751 63.751 64.175 -0.424 19710 4798 1 15 . 1 1 35 35 THR CB C 35 68.542 68.542 68.772 -0.230 19710 4799 1 15 . 1 1 35 35 THR H H 35 7.788 7.788 7.887 -0.099 19710 4800 1 15 . 1 1 36 36 GLU N N 36 120.073 120.073 121.163 -1.090 19710 4801 1 15 . 1 1 36 36 GLU HA H 36 4.386 4.386 3.981 0.405 19710 4802 1 15 . 1 1 36 36 GLU C C 36 175.013 175.013 175.766 -0.753 19710 4803 1 15 . 1 1 36 36 GLU CA C 36 55.865 55.865 56.825 -0.960 19710 4804 1 15 . 1 1 36 36 GLU CB C 36 29.794 29.794 29.687 0.107 19710 4805 1 15 . 1 1 36 36 GLU H H 36 7.825 7.825 7.500 0.325 19710 4806 1 15 . 1 1 37 37 ASP N N 37 121.647 121.647 119.208 2.439 19710 4807 1 15 . 1 1 37 37 ASP HA H 37 5.075 5.075 4.366 0.709 19710 4808 1 15 . 1 1 37 37 ASP C C 37 178.071 178.071 175.782 2.289 19710 4809 1 15 . 1 1 37 37 ASP CA C 37 55.606 55.606 55.241 0.365 19710 4810 1 15 . 1 1 37 37 ASP CB C 37 39.712 39.712 38.975 0.737 19710 4811 1 15 . 1 1 37 37 ASP H H 37 7.386 7.386 7.751 -0.365 19710 4812 1 15 . 1 1 38 38 THR N N 38 111.963 111.963 115.392 -3.429 19710 4813 1 15 . 1 1 38 38 THR HA H 38 4.675 4.675 4.519 0.156 19710 4814 1 15 . 1 1 38 38 THR C C 38 173.399 173.399 173.698 -0.299 19710 4815 1 15 . 1 1 38 38 THR CA C 38 59.483 59.483 60.113 -0.630 19710 4816 1 15 . 1 1 38 38 THR CB C 38 71.810 71.810 70.954 0.856 19710 4817 1 15 . 1 1 38 38 THR H H 38 7.821 7.821 8.424 -0.603 19710 4818 1 15 . 1 1 39 39 TRP N N 39 123.340 123.340 126.889 -3.549 19710 4819 1 15 . 1 1 39 39 TRP HA H 39 4.835 4.835 4.963 -0.128 19710 4820 1 15 . 1 1 39 39 TRP C C 39 177.090 177.090 175.335 1.755 19710 4821 1 15 . 1 1 39 39 TRP CA C 39 56.443 56.443 55.582 0.861 19710 4822 1 15 . 1 1 39 39 TRP CB C 39 29.574 29.574 30.008 -0.434 19710 4823 1 15 . 1 1 39 39 TRP H H 39 8.546 8.546 8.010 0.536 19710 4824 1 15 . 1 1 40 40 GLU N N 40 124.822 124.822 125.087 -0.265 19710 4825 1 15 . 1 1 40 40 GLU HA H 40 5.196 5.196 4.989 0.207 19710 4826 1 15 . 1 1 40 40 GLU CA C 40 51.859 51.859 52.928 -1.069 19710 4827 1 15 . 1 1 40 40 GLU CB C 40 31.934 31.934 32.154 -0.220 19710 4828 1 15 . 1 1 40 40 GLU H H 40 9.710 9.710 8.705 1.005 19710 4829 1 15 . 1 1 41 41 PRO HA H 41 4.783 4.783 4.660 0.123 19710 4830 1 15 . 1 1 41 41 PRO C C 41 178.201 178.201 177.520 0.681 19710 4831 1 15 . 1 1 41 41 PRO CA C 41 62.030 62.030 62.806 -0.776 19710 4832 1 15 . 1 1 41 41 PRO CB C 41 32.833 32.833 33.235 -0.402 19710 4833 1 15 . 1 1 42 42 GLU N N 42 118.959 118.959 120.633 -1.674 19710 4834 1 15 . 1 1 42 42 GLU HA H 42 3.984 3.984 4.115 -0.131 19710 4835 1 15 . 1 1 42 42 GLU C C 42 177.841 177.841 178.936 -1.095 19710 4836 1 15 . 1 1 42 42 GLU CA C 42 60.156 60.156 59.816 0.339 19710 4837 1 15 . 1 1 42 42 GLU CB C 42 30.554 30.554 29.721 0.833 19710 4838 1 15 . 1 1 42 42 GLU H H 42 8.531 8.531 8.628 -0.097 19710 4839 1 15 . 1 1 43 43 HIS N N 43 113.679 113.679 114.750 -1.071 19710 4840 1 15 . 1 1 43 43 HIS HA H 43 4.592 4.592 4.581 0.011 19710 4841 1 15 . 1 1 43 43 HIS C C 43 176.547 176.547 176.336 0.211 19710 4842 1 15 . 1 1 43 43 HIS CA C 43 58.187 58.187 58.236 -0.049 19710 4843 1 15 . 1 1 43 43 HIS CB C 43 29.362 29.362 29.754 -0.392 19710 4844 1 15 . 1 1 43 43 HIS H H 43 7.998 7.998 8.721 -0.723 19710 4845 1 15 . 1 1 44 44 HIS N N 44 119.428 119.428 116.197 3.231 19710 4846 1 15 . 1 1 44 44 HIS HA H 44 4.886 4.886 4.632 0.254 19710 4847 1 15 . 1 1 44 44 HIS C C 44 175.566 175.566 176.600 -1.034 19710 4848 1 15 . 1 1 44 44 HIS CA C 44 55.392 55.392 56.590 -1.198 19710 4849 1 15 . 1 1 44 44 HIS CB C 44 30.049 30.049 32.481 -2.432 19710 4850 1 15 . 1 1 44 44 HIS H H 44 7.755 7.755 7.844 -0.089 19710 4851 1 15 . 1 1 45 45 LEU N N 45 119.789 119.789 118.493 1.296 19710 4852 1 15 . 1 1 45 45 LEU HA H 45 4.580 4.580 4.256 0.324 19710 4853 1 15 . 1 1 45 45 LEU C C 45 176.926 176.926 176.178 0.748 19710 4854 1 15 . 1 1 45 45 LEU CA C 45 53.930 53.930 57.595 -3.665 19710 4855 1 15 . 1 1 45 45 LEU CB C 45 42.010 42.010 42.751 -0.741 19710 4856 1 15 . 1 1 45 45 LEU H H 45 7.601 7.601 7.886 -0.285 19710 4857 1 15 . 1 1 46 46 LEU N N 46 121.462 121.462 114.023 7.439 19710 4858 1 15 . 1 1 46 46 LEU HA H 46 4.100 4.100 4.276 -0.176 19710 4859 1 15 . 1 1 46 46 LEU CA C 46 56.925 56.925 54.130 2.796 19710 4860 1 15 . 1 1 46 46 LEU CB C 46 41.703 41.703 43.733 -2.030 19710 4861 1 15 . 1 1 46 46 LEU H H 46 7.696 7.696 7.455 0.241 19710 4862 1 15 . 1 1 47 47 HIS HA H 47 4.742 4.742 4.652 0.090 19710 4863 1 15 . 1 1 47 47 HIS C C 47 175.940 175.940 174.722 1.218 19710 4864 1 15 . 1 1 47 47 HIS CA C 47 56.483 56.483 56.337 0.146 19710 4865 1 15 . 1 1 47 47 HIS CB C 47 29.209 29.209 30.989 -1.780 19710 4866 1 15 . 1 1 48 48 CYS N N 48 118.214 118.214 121.985 -3.771 19710 4867 1 15 . 1 1 48 48 CYS HA H 48 4.902 4.902 4.508 0.394 19710 4868 1 15 . 1 1 48 48 CYS C C 48 174.988 174.988 175.252 -0.264 19710 4869 1 15 . 1 1 48 48 CYS CA C 48 57.439 57.439 58.388 -0.949 19710 4870 1 15 . 1 1 48 48 CYS CB C 48 28.038 28.038 28.124 -0.086 19710 4871 1 15 . 1 1 48 48 CYS H H 48 7.823 7.823 8.095 -0.272 19710 4872 1 15 . 1 1 49 49 GLU N N 49 122.478 122.478 126.111 -3.633 19710 4873 1 15 . 1 1 49 49 GLU HA H 49 3.718 3.718 3.975 -0.257 19710 4874 1 15 . 1 1 49 49 GLU C C 49 177.607 177.607 177.266 0.341 19710 4875 1 15 . 1 1 49 49 GLU CA C 49 60.496 60.496 58.949 1.547 19710 4876 1 15 . 1 1 49 49 GLU CB C 49 29.391 29.391 29.743 -0.352 19710 4877 1 15 . 1 1 49 49 GLU H H 49 8.524 8.524 8.878 -0.354 19710 4878 1 15 . 1 1 50 50 GLU N N 50 118.424 118.424 118.480 -0.056 19710 4879 1 15 . 1 1 50 50 GLU HA H 50 4.035 4.035 4.035 0.000 19710 4880 1 15 . 1 1 50 50 GLU C C 50 178.942 178.942 178.619 0.323 19710 4881 1 15 . 1 1 50 50 GLU CA C 50 59.341 59.341 58.953 0.388 19710 4882 1 15 . 1 1 50 50 GLU CB C 50 28.492 28.492 28.720 -0.228 19710 4883 1 15 . 1 1 50 50 GLU H H 50 9.192 9.192 8.792 0.400 19710 4884 1 15 . 1 1 51 51 PHE N N 51 117.631 117.631 118.531 -0.900 19710 4885 1 15 . 1 1 51 51 PHE HA H 51 4.345 4.345 4.274 0.071 19710 4886 1 15 . 1 1 51 51 PHE C C 51 179.013 179.013 177.673 1.340 19710 4887 1 15 . 1 1 51 51 PHE CA C 51 59.916 59.916 61.469 -1.553 19710 4888 1 15 . 1 1 51 51 PHE CB C 51 38.425 38.425 38.900 -0.475 19710 4889 1 15 . 1 1 51 51 PHE H H 51 7.350 7.350 7.545 -0.195 19710 4890 1 15 . 1 1 52 52 ILE N N 52 123.512 123.512 119.581 3.931 19710 4891 1 15 . 1 1 52 52 ILE HA H 52 3.260 3.260 3.671 -0.411 19710 4892 1 15 . 1 1 52 52 ILE C C 52 177.036 177.036 177.676 -0.640 19710 4893 1 15 . 1 1 52 52 ILE CA C 52 65.356 65.356 64.725 0.631 19710 4894 1 15 . 1 1 52 52 ILE CB C 52 38.172 38.172 37.431 0.742 19710 4895 1 15 . 1 1 52 52 ILE H H 52 7.625 7.625 7.667 -0.042 19710 4896 1 15 . 1 1 53 53 ASP N N 53 120.257 120.257 119.746 0.511 19710 4897 1 15 . 1 1 53 53 ASP HA H 53 4.302 4.302 4.343 -0.041 19710 4898 1 15 . 1 1 53 53 ASP C C 53 179.243 179.243 178.481 0.762 19710 4899 1 15 . 1 1 53 53 ASP CA C 53 57.343 57.343 57.838 -0.495 19710 4900 1 15 . 1 1 53 53 ASP CB C 53 40.085 40.085 41.041 -0.956 19710 4901 1 15 . 1 1 53 53 ASP H H 53 8.144 8.144 7.992 0.152 19710 4902 1 15 . 1 1 54 54 GLU N N 54 119.707 119.707 119.918 -0.211 19710 4903 1 15 . 1 1 54 54 GLU HA H 54 3.944 3.944 4.040 -0.096 19710 4904 1 15 . 1 1 54 54 GLU C C 54 178.652 178.652 178.460 0.192 19710 4905 1 15 . 1 1 54 54 GLU CA C 54 59.071 59.071 58.867 0.204 19710 4906 1 15 . 1 1 54 54 GLU CB C 54 29.765 29.765 29.603 0.162 19710 4907 1 15 . 1 1 54 54 GLU H H 54 7.875 7.875 7.897 -0.022 19710 4908 1 15 . 1 1 55 55 PHE N N 55 120.573 120.573 121.030 -0.457 19710 4909 1 15 . 1 1 55 55 PHE HA H 55 4.138 4.138 4.257 -0.119 19710 4910 1 15 . 1 1 55 55 PHE C C 55 177.460 177.460 177.100 0.360 19710 4911 1 15 . 1 1 55 55 PHE CA C 55 61.425 61.425 61.205 0.220 19710 4912 1 15 . 1 1 55 55 PHE CB C 55 39.347 39.347 38.995 0.352 19710 4913 1 15 . 1 1 55 55 PHE H H 55 7.784 7.784 8.333 -0.549 19710 4914 1 15 . 1 1 56 56 ASN N N 56 117.284 117.284 117.671 -0.387 19710 4915 1 15 . 1 1 56 56 ASN HA H 56 4.349 4.349 4.101 0.248 19710 4916 1 15 . 1 1 56 56 ASN C C 56 177.227 177.227 177.847 -0.620 19710 4917 1 15 . 1 1 56 56 ASN CA C 56 54.592 54.592 55.667 -1.075 19710 4918 1 15 . 1 1 56 56 ASN CB C 56 37.947 37.947 38.085 -0.138 19710 4919 1 15 . 1 1 56 56 ASN H H 56 8.563 8.563 7.959 0.604 19710 4920 1 15 . 1 1 57 57 GLY N N 57 107.640 107.640 108.135 -0.495 19710 4921 1 15 . 1 1 57 57 GLY C C 57 174.906 174.906 175.658 -0.752 19710 4922 1 15 . 1 1 57 57 GLY CA C 57 46.079 46.079 47.225 -1.146 19710 4923 1 15 . 1 1 57 57 GLY H H 57 7.890 7.890 7.720 0.170 19710 4924 1 15 . 1 1 58 58 LEU N N 58 120.735 120.735 118.117 2.618 19710 4925 1 15 . 1 1 58 58 LEU HA H 58 4.110 4.110 4.321 -0.211 19710 4926 1 15 . 1 1 58 58 LEU C C 58 177.607 177.607 178.382 -0.775 19710 4927 1 15 . 1 1 58 58 LEU CA C 58 55.836 55.836 56.571 -0.735 19710 4928 1 15 . 1 1 58 58 LEU CB C 58 42.340 42.340 41.258 1.082 19710 4929 1 15 . 1 1 58 58 LEU H H 58 7.528 7.528 7.757 -0.229 19710 4930 1 15 . 1 1 59 59 HIS N N 59 118.359 118.359 118.055 0.304 19710 4931 1 15 . 1 1 59 59 HIS HA H 59 4.417 4.417 4.325 0.092 19710 4932 1 15 . 1 1 59 59 HIS C C 59 175.499 175.499 175.877 -0.378 19710 4933 1 15 . 1 1 59 59 HIS CA C 59 56.604 56.604 58.426 -1.822 19710 4934 1 15 . 1 1 59 59 HIS CB C 59 30.480 30.480 30.324 0.156 19710 4935 1 15 . 1 1 59 59 HIS H H 59 7.875 7.875 8.061 -0.186 19710 4936 1 15 . 1 1 60 60 MET N N 60 120.255 120.255 118.290 1.965 19710 4937 1 15 . 1 1 60 60 MET HA H 60 4.365 4.365 4.484 -0.119 19710 4938 1 15 . 1 1 60 60 MET CA C 60 55.643 55.643 56.246 -0.603 19710 4939 1 15 . 1 1 60 60 MET CB C 60 32.684 32.684 34.497 -1.813 19710 4940 1 15 . 1 1 60 60 MET H H 60 7.884 7.884 7.704 0.180 19710 4941 1 15 . 1 1 62 62 LYS HA H 62 4.301 4.301 4.290 0.011 19710 4942 1 15 . 1 1 62 62 LYS C C 62 176.168 176.168 175.806 0.362 19710 4943 1 15 . 1 1 62 62 LYS CA C 62 56.312 56.312 56.794 -0.482 19710 4944 1 15 . 1 1 62 62 LYS CB C 62 32.975 32.975 31.657 1.318 19710 4945 1 15 . 1 1 63 63 ASP N N 63 121.259 121.259 123.096 -1.837 19710 4946 1 15 . 1 1 63 63 ASP HA H 63 4.540 4.540 4.622 -0.082 19710 4947 1 15 . 1 1 63 63 ASP C C 63 175.024 175.024 173.931 1.093 19710 4948 1 15 . 1 1 63 63 ASP CA C 63 54.569 54.569 54.366 0.203 19710 4949 1 15 . 1 1 63 63 ASP CB C 63 41.120 41.120 42.193 -1.073 19710 4950 1 15 . 1 1 63 63 ASP H H 63 8.263 8.263 7.971 0.292 19710 4951 1 16 . 1 1 2 2 ALA HA H 2 4.257 4.257 4.634 -0.377 19710 4952 1 16 . 1 1 2 2 ALA CA C 2 52.527 52.527 52.403 0.124 19710 4953 1 16 . 1 1 2 2 ALA CB C 2 19.363 19.363 19.941 -0.578 19710 4954 1 16 . 1 1 4 4 GLY C C 4 173.756 173.756 172.814 0.942 19710 4955 1 16 . 1 1 4 4 GLY CA C 4 45.291 45.291 44.434 0.857 19710 4956 1 16 . 1 1 5 5 ASP N N 5 120.203 120.203 118.788 1.415 19710 4957 1 16 . 1 1 5 5 ASP HA H 5 4.451 4.451 3.990 0.461 19710 4958 1 16 . 1 1 5 5 ASP C C 5 175.671 175.671 176.659 -0.988 19710 4959 1 16 . 1 1 5 5 ASP CA C 5 54.422 54.422 55.162 -0.740 19710 4960 1 16 . 1 1 5 5 ASP CB C 5 41.179 41.179 40.942 0.237 19710 4961 1 16 . 1 1 5 5 ASP H H 5 8.028 8.028 8.046 -0.018 19710 4962 1 16 . 1 1 6 6 LEU N N 6 121.200 121.200 121.075 0.125 19710 4963 1 16 . 1 1 6 6 LEU HA H 6 4.135 4.135 4.229 -0.094 19710 4964 1 16 . 1 1 6 6 LEU C C 6 176.638 176.638 176.575 0.063 19710 4965 1 16 . 1 1 6 6 LEU CA C 6 55.097 55.097 53.577 1.520 19710 4966 1 16 . 1 1 6 6 LEU CB C 6 42.364 42.364 39.491 2.873 19710 4967 1 16 . 1 1 6 6 LEU H H 6 7.873 7.873 7.502 0.371 19710 4968 1 16 . 1 1 7 7 TYR N N 7 121.938 121.938 121.375 0.563 19710 4969 1 16 . 1 1 7 7 TYR HA H 7 4.631 4.631 4.051 0.580 19710 4970 1 16 . 1 1 7 7 TYR C C 7 175.047 175.047 176.697 -1.650 19710 4971 1 16 . 1 1 7 7 TYR CA C 7 57.261 57.261 60.298 -3.037 19710 4972 1 16 . 1 1 7 7 TYR CB C 7 38.921 38.921 38.676 0.245 19710 4973 1 16 . 1 1 7 7 TYR H H 7 8.011 8.011 7.021 0.990 19710 4974 1 16 . 1 1 8 8 GLU N N 8 122.393 122.393 117.060 5.333 19710 4975 1 16 . 1 1 8 8 GLU HA H 8 4.769 4.769 4.548 0.221 19710 4976 1 16 . 1 1 8 8 GLU C C 8 175.583 175.583 174.843 0.740 19710 4977 1 16 . 1 1 8 8 GLU CA C 8 54.988 54.988 55.360 -0.372 19710 4978 1 16 . 1 1 8 8 GLU CB C 8 32.551 32.551 29.639 2.912 19710 4979 1 16 . 1 1 8 8 GLU H H 8 9.047 9.047 8.156 0.891 19710 4980 1 16 . 1 1 9 9 VAL N N 9 126.546 126.546 122.882 3.664 19710 4981 1 16 . 1 1 9 9 VAL HA H 9 3.092 3.092 4.273 -1.181 19710 4982 1 16 . 1 1 9 9 VAL C C 9 175.170 175.170 175.504 -0.334 19710 4983 1 16 . 1 1 9 9 VAL CA C 9 64.309 64.309 62.718 1.591 19710 4984 1 16 . 1 1 9 9 VAL CB C 9 32.983 32.983 32.518 0.465 19710 4985 1 16 . 1 1 9 9 VAL H H 9 8.677 8.677 8.361 0.316 19710 4986 1 16 . 1 1 10 10 GLU N N 10 126.674 126.674 129.061 -2.387 19710 4987 1 16 . 1 1 10 10 GLU HA H 10 4.234 4.234 4.354 -0.120 19710 4988 1 16 . 1 1 10 10 GLU C C 10 175.505 175.505 176.880 -1.375 19710 4989 1 16 . 1 1 10 10 GLU CA C 10 57.459 57.459 58.306 -0.847 19710 4990 1 16 . 1 1 10 10 GLU CB C 10 31.296 31.296 30.772 0.524 19710 4991 1 16 . 1 1 10 10 GLU H H 10 9.120 9.120 8.800 0.320 19710 4992 1 16 . 1 1 11 11 ARG N N 11 111.321 111.321 111.527 -0.206 19710 4993 1 16 . 1 1 11 11 ARG HA H 11 4.115 4.115 4.631 -0.516 19710 4994 1 16 . 1 1 11 11 ARG C C 11 172.330 172.330 173.878 -1.548 19710 4995 1 16 . 1 1 11 11 ARG CA C 11 54.723 54.723 55.284 -0.561 19710 4996 1 16 . 1 1 11 11 ARG CB C 11 32.309 32.309 31.738 0.571 19710 4997 1 16 . 1 1 11 11 ARG H H 11 7.476 7.476 7.676 -0.200 19710 4998 1 16 . 1 1 12 12 ILE N N 12 120.610 120.610 120.455 0.155 19710 4999 1 16 . 1 1 12 12 ILE HA H 12 4.085 4.085 4.201 -0.116 19710 5000 1 16 . 1 1 12 12 ILE C C 12 175.353 175.353 177.105 -1.752 19710 5001 1 16 . 1 1 12 12 ILE CA C 12 60.515 60.515 61.685 -1.171 19710 5002 1 16 . 1 1 12 12 ILE CB C 12 38.338 38.338 37.770 0.568 19710 5003 1 16 . 1 1 12 12 ILE H H 12 8.295 8.295 8.773 -0.478 19710 5004 1 16 . 1 1 13 13 VAL N N 13 122.026 122.026 125.712 -3.686 19710 5005 1 16 . 1 1 13 13 VAL HA H 13 4.047 4.047 3.972 0.075 19710 5006 1 16 . 1 1 13 13 VAL C C 13 175.311 175.311 175.869 -0.558 19710 5007 1 16 . 1 1 13 13 VAL CA C 13 62.460 62.460 64.564 -2.104 19710 5008 1 16 . 1 1 13 13 VAL CB C 13 33.344 33.344 32.393 0.951 19710 5009 1 16 . 1 1 13 13 VAL H H 13 8.939 8.939 8.548 0.391 19710 5010 1 16 . 1 1 14 14 ASP N N 14 117.407 117.407 114.071 3.336 19710 5011 1 16 . 1 1 14 14 ASP HA H 14 4.776 4.776 4.701 0.075 19710 5012 1 16 . 1 1 14 14 ASP C C 14 173.374 173.374 173.481 -0.107 19710 5013 1 16 . 1 1 14 14 ASP CA C 14 53.034 53.034 53.402 -0.368 19710 5014 1 16 . 1 1 14 14 ASP CB C 14 43.749 43.749 43.215 0.534 19710 5015 1 16 . 1 1 14 14 ASP H H 14 7.236 7.236 7.650 -0.414 19710 5016 1 16 . 1 1 15 15 LYS N N 15 118.628 118.628 118.004 0.624 19710 5017 1 16 . 1 1 15 15 LYS HA H 15 5.517 5.517 4.902 0.615 19710 5018 1 16 . 1 1 15 15 LYS C C 15 173.885 173.885 174.623 -0.738 19710 5019 1 16 . 1 1 15 15 LYS CA C 15 55.716 55.716 54.687 1.029 19710 5020 1 16 . 1 1 15 15 LYS CB C 15 37.575 37.575 36.280 1.295 19710 5021 1 16 . 1 1 15 15 LYS H H 15 9.430 9.430 8.335 1.095 19710 5022 1 16 . 1 1 16 16 ARG N N 16 120.175 120.175 116.181 3.994 19710 5023 1 16 . 1 1 16 16 ARG HA H 16 4.872 4.872 4.506 0.366 19710 5024 1 16 . 1 1 16 16 ARG C C 16 172.365 172.365 173.786 -1.421 19710 5025 1 16 . 1 1 16 16 ARG CA C 16 54.680 54.680 54.819 -0.139 19710 5026 1 16 . 1 1 16 16 ARG CB C 16 32.460 32.460 31.670 0.790 19710 5027 1 16 . 1 1 16 16 ARG H H 16 9.326 9.326 8.930 0.396 19710 5028 1 16 . 1 1 17 17 LYS N N 17 122.374 122.374 121.005 1.369 19710 5029 1 16 . 1 1 17 17 LYS HA H 17 4.306 4.306 4.697 -0.391 19710 5030 1 16 . 1 1 17 17 LYS C C 17 176.978 176.978 176.768 0.210 19710 5031 1 16 . 1 1 17 17 LYS CA C 17 54.557 54.557 55.339 -0.782 19710 5032 1 16 . 1 1 17 17 LYS CB C 17 33.310 33.310 32.628 0.682 19710 5033 1 16 . 1 1 17 17 LYS H H 17 8.480 8.480 8.411 0.069 19710 5034 1 16 . 1 1 18 18 ASN N N 18 123.092 123.092 123.933 -0.841 19710 5035 1 16 . 1 1 18 18 ASN HA H 18 4.482 4.482 4.723 -0.240 19710 5036 1 16 . 1 1 18 18 ASN CA C 18 50.611 50.611 53.782 -3.171 19710 5037 1 16 . 1 1 18 18 ASN CB C 18 39.055 39.055 40.259 -1.204 19710 5038 1 16 . 1 1 18 18 ASN H H 18 8.736 8.736 8.308 0.428 19710 5039 1 16 . 1 1 19 19 LYS HA H 19 3.939 3.939 4.108 -0.169 19710 5040 1 16 . 1 1 19 19 LYS C C 19 177.548 177.548 177.930 -0.382 19710 5041 1 16 . 1 1 19 19 LYS CA C 19 58.543 58.543 58.562 -0.019 19710 5042 1 16 . 1 1 19 19 LYS CB C 19 31.933 31.933 31.955 -0.022 19710 5043 1 16 . 1 1 20 20 LYS N N 20 117.362 117.362 118.107 -0.745 19710 5044 1 16 . 1 1 20 20 LYS HA H 20 4.262 4.262 4.263 -0.001 19710 5045 1 16 . 1 1 20 20 LYS C C 20 176.514 176.514 176.976 -0.462 19710 5046 1 16 . 1 1 20 20 LYS CA C 20 55.489 55.489 55.986 -0.497 19710 5047 1 16 . 1 1 20 20 LYS CB C 20 32.105 32.105 32.315 -0.210 19710 5048 1 16 . 1 1 20 20 LYS H H 20 7.491 7.491 7.992 -0.501 19710 5049 1 16 . 1 1 21 21 GLY N N 21 107.275 107.275 107.608 -0.333 19710 5050 1 16 . 1 1 21 21 GLY C C 21 173.503 173.503 173.774 -0.271 19710 5051 1 16 . 1 1 21 21 GLY CA C 21 45.413 45.413 45.482 -0.069 19710 5052 1 16 . 1 1 21 21 GLY H H 21 7.966 7.966 7.912 0.054 19710 5053 1 16 . 1 1 22 22 LYS N N 22 119.753 119.753 118.002 1.751 19710 5054 1 16 . 1 1 22 22 LYS HA H 22 4.380 4.380 4.054 0.326 19710 5055 1 16 . 1 1 22 22 LYS C C 22 175.319 175.319 176.302 -0.983 19710 5056 1 16 . 1 1 22 22 LYS CA C 22 53.197 53.197 54.410 -1.213 19710 5057 1 16 . 1 1 22 22 LYS CB C 22 33.531 33.531 33.421 0.110 19710 5058 1 16 . 1 1 22 22 LYS H H 22 7.457 7.457 7.522 -0.065 19710 5059 1 16 . 1 1 23 23 TRP N N 23 120.227 120.227 120.301 -0.074 19710 5060 1 16 . 1 1 23 23 TRP HA H 23 4.837 4.837 4.758 0.079 19710 5061 1 16 . 1 1 23 23 TRP C C 23 176.246 176.246 175.352 0.894 19710 5062 1 16 . 1 1 23 23 TRP CA C 23 57.338 57.338 56.748 0.590 19710 5063 1 16 . 1 1 23 23 TRP CB C 23 31.142 31.142 29.612 1.530 19710 5064 1 16 . 1 1 23 23 TRP H H 23 8.564 8.564 8.671 -0.107 19710 5065 1 16 . 1 1 24 24 GLU N N 24 120.044 120.044 123.119 -3.075 19710 5066 1 16 . 1 1 24 24 GLU HA H 24 4.921 4.921 4.843 0.078 19710 5067 1 16 . 1 1 24 24 GLU C C 24 174.505 174.505 174.594 -0.089 19710 5068 1 16 . 1 1 24 24 GLU CA C 24 54.223 54.223 54.769 -0.546 19710 5069 1 16 . 1 1 24 24 GLU CB C 24 33.711 33.711 33.668 0.043 19710 5070 1 16 . 1 1 24 24 GLU H H 24 9.257 9.257 8.829 0.428 19710 5071 1 16 . 1 1 25 25 TYR N N 25 118.993 118.993 124.706 -5.713 19710 5072 1 16 . 1 1 25 25 TYR HA H 25 5.017 5.017 4.788 0.229 19710 5073 1 16 . 1 1 25 25 TYR C C 25 173.068 173.068 174.633 -1.565 19710 5074 1 16 . 1 1 25 25 TYR CA C 25 57.173 57.173 56.512 0.661 19710 5075 1 16 . 1 1 25 25 TYR CB C 25 41.873 41.873 40.725 1.148 19710 5076 1 16 . 1 1 25 25 TYR H H 25 9.119 9.119 9.288 -0.169 19710 5077 1 16 . 1 1 26 26 LEU N N 26 128.028 128.028 126.184 1.844 19710 5078 1 16 . 1 1 26 26 LEU HA H 26 3.632 3.632 4.887 -1.255 19710 5079 1 16 . 1 1 26 26 LEU C C 26 173.813 173.813 175.559 -1.746 19710 5080 1 16 . 1 1 26 26 LEU CA C 26 53.371 53.371 55.106 -1.735 19710 5081 1 16 . 1 1 26 26 LEU CB C 26 39.946 39.946 42.526 -2.580 19710 5082 1 16 . 1 1 26 26 LEU H H 26 7.788 7.788 8.330 -0.542 19710 5083 1 16 . 1 1 27 27 ILE N N 27 130.050 130.050 125.345 4.705 19710 5084 1 16 . 1 1 27 27 ILE HA H 27 3.604 3.604 4.583 -0.979 19710 5085 1 16 . 1 1 27 27 ILE C C 27 173.398 173.398 174.346 -0.948 19710 5086 1 16 . 1 1 27 27 ILE CA C 27 58.760 58.760 58.188 0.572 19710 5087 1 16 . 1 1 27 27 ILE CB C 27 38.186 38.186 40.675 -2.489 19710 5088 1 16 . 1 1 27 27 ILE H H 27 8.752 8.752 9.168 -0.416 19710 5089 1 16 . 1 1 28 28 ARG N N 28 123.071 123.071 120.821 2.250 19710 5090 1 16 . 1 1 28 28 ARG HA H 28 4.474 4.474 4.682 -0.208 19710 5091 1 16 . 1 1 28 28 ARG C C 28 174.476 174.476 174.441 0.035 19710 5092 1 16 . 1 1 28 28 ARG CA C 28 52.104 52.104 54.525 -2.421 19710 5093 1 16 . 1 1 28 28 ARG CB C 28 29.007 29.007 32.932 -3.925 19710 5094 1 16 . 1 1 28 28 ARG H H 28 7.453 7.453 8.435 -0.982 19710 5095 1 16 . 1 1 29 29 TRP N N 29 132.787 132.787 121.075 11.712 19710 5096 1 16 . 1 1 29 29 TRP HA H 29 4.731 4.731 5.161 -0.430 19710 5097 1 16 . 1 1 29 29 TRP C C 29 176.623 176.623 174.802 1.821 19710 5098 1 16 . 1 1 29 29 TRP CA C 29 55.653 55.653 53.869 1.784 19710 5099 1 16 . 1 1 29 29 TRP CB C 29 31.065 31.065 31.016 0.049 19710 5100 1 16 . 1 1 29 29 TRP H H 29 9.197 9.197 8.054 1.143 19710 5101 1 16 . 1 1 30 30 LYS N N 30 122.843 122.843 122.736 0.107 19710 5102 1 16 . 1 1 30 30 LYS HA H 30 4.212 4.212 4.481 -0.269 19710 5103 1 16 . 1 1 30 30 LYS C C 30 177.688 177.688 177.859 -0.171 19710 5104 1 16 . 1 1 30 30 LYS CA C 30 58.203 58.203 56.882 1.321 19710 5105 1 16 . 1 1 30 30 LYS CB C 30 33.152 33.152 33.218 -0.066 19710 5106 1 16 . 1 1 30 30 LYS H H 30 9.134 9.134 8.764 0.370 19710 5107 1 16 . 1 1 31 31 GLY N N 31 113.057 113.057 111.888 1.169 19710 5108 1 16 . 1 1 31 31 GLY C C 31 173.562 173.562 174.035 -0.473 19710 5109 1 16 . 1 1 31 31 GLY CA C 31 44.973 44.973 45.133 -0.160 19710 5110 1 16 . 1 1 31 31 GLY H H 31 8.646 8.646 8.783 -0.137 19710 5111 1 16 . 1 1 32 32 TYR N N 32 119.993 119.993 120.154 -0.161 19710 5112 1 16 . 1 1 32 32 TYR HA H 32 4.620 4.620 4.876 -0.256 19710 5113 1 16 . 1 1 32 32 TYR C C 32 175.254 175.254 174.777 0.477 19710 5114 1 16 . 1 1 32 32 TYR CA C 32 57.742 57.742 56.676 1.066 19710 5115 1 16 . 1 1 32 32 TYR CB C 32 40.377 40.377 40.643 -0.266 19710 5116 1 16 . 1 1 32 32 TYR H H 32 8.119 8.119 7.783 0.336 19710 5117 1 16 . 1 1 33 33 GLY N N 33 106.930 106.930 106.498 0.432 19710 5118 1 16 . 1 1 33 33 GLY CA C 33 44.052 44.052 46.274 -2.222 19710 5119 1 16 . 1 1 33 33 GLY H H 33 8.510 8.510 8.265 0.245 19710 5120 1 16 . 1 1 34 34 SER HA H 34 4.437 4.437 4.448 -0.011 19710 5121 1 16 . 1 1 34 34 SER C C 34 176.594 176.594 176.947 -0.353 19710 5122 1 16 . 1 1 34 34 SER CA C 34 60.033 60.033 60.688 -0.655 19710 5123 1 16 . 1 1 34 34 SER CB C 34 63.310 63.310 63.076 0.234 19710 5124 1 16 . 1 1 35 35 THR N N 35 113.722 113.722 115.664 -1.942 19710 5125 1 16 . 1 1 35 35 THR HA H 35 4.117 4.117 4.183 -0.066 19710 5126 1 16 . 1 1 35 35 THR C C 35 175.474 175.474 175.229 0.245 19710 5127 1 16 . 1 1 35 35 THR CA C 35 63.751 63.751 64.505 -0.754 19710 5128 1 16 . 1 1 35 35 THR CB C 35 68.542 68.542 69.007 -0.465 19710 5129 1 16 . 1 1 35 35 THR H H 35 7.788 7.788 8.039 -0.251 19710 5130 1 16 . 1 1 36 36 GLU N N 36 120.073 120.073 119.107 0.966 19710 5131 1 16 . 1 1 36 36 GLU HA H 36 4.386 4.386 4.036 0.350 19710 5132 1 16 . 1 1 36 36 GLU C C 36 175.013 175.013 175.752 -0.739 19710 5133 1 16 . 1 1 36 36 GLU CA C 36 55.865 55.865 56.537 -0.672 19710 5134 1 16 . 1 1 36 36 GLU CB C 36 29.794 29.794 29.475 0.319 19710 5135 1 16 . 1 1 36 36 GLU H H 36 7.825 7.825 7.916 -0.091 19710 5136 1 16 . 1 1 37 37 ASP N N 37 121.647 121.647 120.086 1.561 19710 5137 1 16 . 1 1 37 37 ASP HA H 37 5.075 5.075 4.241 0.834 19710 5138 1 16 . 1 1 37 37 ASP C C 37 178.071 178.071 176.488 1.583 19710 5139 1 16 . 1 1 37 37 ASP CA C 37 55.606 55.606 54.869 0.737 19710 5140 1 16 . 1 1 37 37 ASP CB C 37 39.712 39.712 39.380 0.332 19710 5141 1 16 . 1 1 37 37 ASP H H 37 7.386 7.386 7.599 -0.213 19710 5142 1 16 . 1 1 38 38 THR N N 38 111.963 111.963 115.556 -3.593 19710 5143 1 16 . 1 1 38 38 THR HA H 38 4.675 4.675 4.539 0.136 19710 5144 1 16 . 1 1 38 38 THR C C 38 173.399 173.399 173.559 -0.160 19710 5145 1 16 . 1 1 38 38 THR CA C 38 59.483 59.483 60.749 -1.266 19710 5146 1 16 . 1 1 38 38 THR CB C 38 71.810 71.810 71.354 0.456 19710 5147 1 16 . 1 1 38 38 THR H H 38 7.821 7.821 8.193 -0.372 19710 5148 1 16 . 1 1 39 39 TRP N N 39 123.340 123.340 124.993 -1.653 19710 5149 1 16 . 1 1 39 39 TRP HA H 39 4.835 4.835 5.420 -0.585 19710 5150 1 16 . 1 1 39 39 TRP C C 39 177.090 177.090 174.453 2.637 19710 5151 1 16 . 1 1 39 39 TRP CA C 39 56.443 56.443 54.052 2.391 19710 5152 1 16 . 1 1 39 39 TRP CB C 39 29.574 29.574 29.082 0.492 19710 5153 1 16 . 1 1 39 39 TRP H H 39 8.546 8.546 8.171 0.375 19710 5154 1 16 . 1 1 40 40 GLU N N 40 124.822 124.822 124.904 -0.082 19710 5155 1 16 . 1 1 40 40 GLU HA H 40 5.196 5.196 4.811 0.385 19710 5156 1 16 . 1 1 40 40 GLU CA C 40 51.859 51.859 52.834 -0.975 19710 5157 1 16 . 1 1 40 40 GLU CB C 40 31.934 31.934 30.932 1.002 19710 5158 1 16 . 1 1 40 40 GLU H H 40 9.710 9.710 8.850 0.860 19710 5159 1 16 . 1 1 41 41 PRO HA H 41 4.783 4.783 4.688 0.095 19710 5160 1 16 . 1 1 41 41 PRO C C 41 178.201 178.201 178.253 -0.052 19710 5161 1 16 . 1 1 41 41 PRO CA C 41 62.030 62.030 62.820 -0.790 19710 5162 1 16 . 1 1 41 41 PRO CB C 41 32.833 32.833 33.197 -0.364 19710 5163 1 16 . 1 1 42 42 GLU N N 42 118.959 118.959 123.629 -4.670 19710 5164 1 16 . 1 1 42 42 GLU HA H 42 3.984 3.984 4.215 -0.231 19710 5165 1 16 . 1 1 42 42 GLU C C 42 177.841 177.841 178.518 -0.677 19710 5166 1 16 . 1 1 42 42 GLU CA C 42 60.156 60.156 60.458 -0.302 19710 5167 1 16 . 1 1 42 42 GLU CB C 42 30.554 30.554 29.830 0.724 19710 5168 1 16 . 1 1 42 42 GLU H H 42 8.531 8.531 8.475 0.056 19710 5169 1 16 . 1 1 43 43 HIS N N 43 113.679 113.679 115.682 -2.003 19710 5170 1 16 . 1 1 43 43 HIS HA H 43 4.592 4.592 4.370 0.222 19710 5171 1 16 . 1 1 43 43 HIS C C 43 176.547 176.547 175.347 1.200 19710 5172 1 16 . 1 1 43 43 HIS CA C 43 58.187 58.187 57.782 0.405 19710 5173 1 16 . 1 1 43 43 HIS CB C 43 29.362 29.362 29.452 -0.090 19710 5174 1 16 . 1 1 43 43 HIS H H 43 7.998 7.998 8.778 -0.780 19710 5175 1 16 . 1 1 44 44 HIS N N 44 119.428 119.428 115.745 3.683 19710 5176 1 16 . 1 1 44 44 HIS HA H 44 4.886 4.886 4.694 0.192 19710 5177 1 16 . 1 1 44 44 HIS C C 44 175.566 175.566 175.110 0.456 19710 5178 1 16 . 1 1 44 44 HIS CA C 44 55.392 55.392 54.563 0.829 19710 5179 1 16 . 1 1 44 44 HIS CB C 44 30.049 30.049 30.934 -0.885 19710 5180 1 16 . 1 1 44 44 HIS H H 44 7.755 7.755 7.504 0.251 19710 5181 1 16 . 1 1 45 45 LEU N N 45 119.789 119.789 119.402 0.387 19710 5182 1 16 . 1 1 45 45 LEU HA H 45 4.580 4.580 4.219 0.361 19710 5183 1 16 . 1 1 45 45 LEU C C 45 176.926 176.926 175.414 1.512 19710 5184 1 16 . 1 1 45 45 LEU CA C 45 53.930 53.930 57.164 -3.234 19710 5185 1 16 . 1 1 45 45 LEU CB C 45 42.010 42.010 42.791 -0.781 19710 5186 1 16 . 1 1 45 45 LEU H H 45 7.601 7.601 7.625 -0.024 19710 5187 1 16 . 1 1 46 46 LEU N N 46 121.462 121.462 113.491 7.971 19710 5188 1 16 . 1 1 46 46 LEU HA H 46 4.100 4.100 4.383 -0.283 19710 5189 1 16 . 1 1 46 46 LEU CA C 46 56.925 56.925 53.568 3.357 19710 5190 1 16 . 1 1 46 46 LEU CB C 46 41.703 41.703 44.871 -3.168 19710 5191 1 16 . 1 1 46 46 LEU H H 46 7.696 7.696 7.499 0.197 19710 5192 1 16 . 1 1 47 47 HIS HA H 47 4.742 4.742 4.434 0.307 19710 5193 1 16 . 1 1 47 47 HIS C C 47 175.940 175.940 174.273 1.667 19710 5194 1 16 . 1 1 47 47 HIS CA C 47 56.483 56.483 56.615 -0.132 19710 5195 1 16 . 1 1 47 47 HIS CB C 47 29.209 29.209 30.395 -1.186 19710 5196 1 16 . 1 1 48 48 CYS N N 48 118.214 118.214 118.891 -0.677 19710 5197 1 16 . 1 1 48 48 CYS HA H 48 4.902 4.902 4.538 0.364 19710 5198 1 16 . 1 1 48 48 CYS C C 48 174.988 174.988 175.471 -0.483 19710 5199 1 16 . 1 1 48 48 CYS CA C 48 57.439 57.439 57.635 -0.196 19710 5200 1 16 . 1 1 48 48 CYS CB C 48 28.038 28.038 30.474 -2.436 19710 5201 1 16 . 1 1 48 48 CYS H H 48 7.823 7.823 7.467 0.356 19710 5202 1 16 . 1 1 49 49 GLU N N 49 122.478 122.478 123.953 -1.475 19710 5203 1 16 . 1 1 49 49 GLU HA H 49 3.718 3.718 4.060 -0.342 19710 5204 1 16 . 1 1 49 49 GLU C C 49 177.607 177.607 177.108 0.499 19710 5205 1 16 . 1 1 49 49 GLU CA C 49 60.496 60.496 58.452 2.045 19710 5206 1 16 . 1 1 49 49 GLU CB C 49 29.391 29.391 29.662 -0.271 19710 5207 1 16 . 1 1 49 49 GLU H H 49 8.524 8.524 8.937 -0.413 19710 5208 1 16 . 1 1 50 50 GLU N N 50 118.424 118.424 118.508 -0.084 19710 5209 1 16 . 1 1 50 50 GLU HA H 50 4.035 4.035 3.945 0.090 19710 5210 1 16 . 1 1 50 50 GLU C C 50 178.942 178.942 178.556 0.386 19710 5211 1 16 . 1 1 50 50 GLU CA C 50 59.341 59.341 59.098 0.243 19710 5212 1 16 . 1 1 50 50 GLU CB C 50 28.492 28.492 29.004 -0.512 19710 5213 1 16 . 1 1 50 50 GLU H H 50 9.192 9.192 8.758 0.434 19710 5214 1 16 . 1 1 51 51 PHE N N 51 117.631 117.631 116.644 0.987 19710 5215 1 16 . 1 1 51 51 PHE HA H 51 4.345 4.345 4.346 -0.001 19710 5216 1 16 . 1 1 51 51 PHE C C 51 179.013 179.013 178.233 0.780 19710 5217 1 16 . 1 1 51 51 PHE CA C 51 59.916 59.916 61.036 -1.121 19710 5218 1 16 . 1 1 51 51 PHE CB C 51 38.425 38.425 38.647 -0.222 19710 5219 1 16 . 1 1 51 51 PHE H H 51 7.350 7.350 7.603 -0.253 19710 5220 1 16 . 1 1 52 52 ILE N N 52 123.512 123.512 119.297 4.215 19710 5221 1 16 . 1 1 52 52 ILE HA H 52 3.260 3.260 3.684 -0.424 19710 5222 1 16 . 1 1 52 52 ILE C C 52 177.036 177.036 177.893 -0.857 19710 5223 1 16 . 1 1 52 52 ILE CA C 52 65.356 65.356 64.900 0.457 19710 5224 1 16 . 1 1 52 52 ILE CB C 52 38.172 38.172 37.459 0.713 19710 5225 1 16 . 1 1 52 52 ILE H H 52 7.625 7.625 7.813 -0.188 19710 5226 1 16 . 1 1 53 53 ASP N N 53 120.257 120.257 120.051 0.206 19710 5227 1 16 . 1 1 53 53 ASP HA H 53 4.302 4.302 4.363 -0.061 19710 5228 1 16 . 1 1 53 53 ASP C C 53 179.243 179.243 178.273 0.970 19710 5229 1 16 . 1 1 53 53 ASP CA C 53 57.343 57.343 58.026 -0.683 19710 5230 1 16 . 1 1 53 53 ASP CB C 53 40.085 40.085 40.953 -0.869 19710 5231 1 16 . 1 1 53 53 ASP H H 53 8.144 8.144 8.161 -0.017 19710 5232 1 16 . 1 1 54 54 GLU N N 54 119.707 119.707 119.555 0.152 19710 5233 1 16 . 1 1 54 54 GLU HA H 54 3.944 3.944 4.034 -0.090 19710 5234 1 16 . 1 1 54 54 GLU C C 54 178.652 178.652 178.700 -0.048 19710 5235 1 16 . 1 1 54 54 GLU CA C 54 59.071 59.071 58.795 0.276 19710 5236 1 16 . 1 1 54 54 GLU CB C 54 29.765 29.765 29.233 0.532 19710 5237 1 16 . 1 1 54 54 GLU H H 54 7.875 7.875 7.838 0.037 19710 5238 1 16 . 1 1 55 55 PHE N N 55 120.573 120.573 121.890 -1.317 19710 5239 1 16 . 1 1 55 55 PHE HA H 55 4.138 4.138 4.260 -0.122 19710 5240 1 16 . 1 1 55 55 PHE C C 55 177.460 177.460 176.888 0.572 19710 5241 1 16 . 1 1 55 55 PHE CA C 55 61.425 61.425 60.523 0.902 19710 5242 1 16 . 1 1 55 55 PHE CB C 55 39.347 39.347 39.275 0.072 19710 5243 1 16 . 1 1 55 55 PHE H H 55 7.784 7.784 8.019 -0.235 19710 5244 1 16 . 1 1 56 56 ASN N N 56 117.284 117.284 117.627 -0.343 19710 5245 1 16 . 1 1 56 56 ASN HA H 56 4.349 4.349 4.102 0.247 19710 5246 1 16 . 1 1 56 56 ASN C C 56 177.227 177.227 177.455 -0.228 19710 5247 1 16 . 1 1 56 56 ASN CA C 56 54.592 54.592 55.946 -1.354 19710 5248 1 16 . 1 1 56 56 ASN CB C 56 37.947 37.947 38.483 -0.536 19710 5249 1 16 . 1 1 56 56 ASN H H 56 8.563 8.563 8.180 0.383 19710 5250 1 16 . 1 1 57 57 GLY N N 57 107.640 107.640 107.191 0.449 19710 5251 1 16 . 1 1 57 57 GLY C C 57 174.906 174.906 175.691 -0.785 19710 5252 1 16 . 1 1 57 57 GLY CA C 57 46.079 46.079 47.019 -0.940 19710 5253 1 16 . 1 1 57 57 GLY H H 57 7.890 7.890 7.802 0.088 19710 5254 1 16 . 1 1 58 58 LEU N N 58 120.735 120.735 116.630 4.105 19710 5255 1 16 . 1 1 58 58 LEU HA H 58 4.110 4.110 4.434 -0.324 19710 5256 1 16 . 1 1 58 58 LEU C C 58 177.607 177.607 177.709 -0.102 19710 5257 1 16 . 1 1 58 58 LEU CA C 58 55.836 55.836 56.566 -0.730 19710 5258 1 16 . 1 1 58 58 LEU CB C 58 42.340 42.340 42.053 0.287 19710 5259 1 16 . 1 1 58 58 LEU H H 58 7.528 7.528 7.446 0.082 19710 5260 1 16 . 1 1 59 59 HIS N N 59 118.359 118.359 117.647 0.712 19710 5261 1 16 . 1 1 59 59 HIS HA H 59 4.417 4.417 4.616 -0.199 19710 5262 1 16 . 1 1 59 59 HIS C C 59 175.499 175.499 174.969 0.530 19710 5263 1 16 . 1 1 59 59 HIS CA C 59 56.604 56.604 56.447 0.157 19710 5264 1 16 . 1 1 59 59 HIS CB C 59 30.480 30.480 32.722 -2.242 19710 5265 1 16 . 1 1 59 59 HIS H H 59 7.875 7.875 7.927 -0.052 19710 5266 1 16 . 1 1 60 60 MET N N 60 120.255 120.255 120.025 0.230 19710 5267 1 16 . 1 1 60 60 MET HA H 60 4.365 4.365 4.600 -0.235 19710 5268 1 16 . 1 1 60 60 MET CA C 60 55.643 55.643 54.936 0.707 19710 5269 1 16 . 1 1 60 60 MET CB C 60 32.684 32.684 33.680 -0.996 19710 5270 1 16 . 1 1 60 60 MET H H 60 7.884 7.884 7.484 0.400 19710 5271 1 16 . 1 1 62 62 LYS HA H 62 4.301 4.301 4.343 -0.042 19710 5272 1 16 . 1 1 62 62 LYS C C 62 176.168 176.168 176.580 -0.412 19710 5273 1 16 . 1 1 62 62 LYS CA C 62 56.312 56.312 55.758 0.554 19710 5274 1 16 . 1 1 62 62 LYS CB C 62 32.975 32.975 32.943 0.032 19710 5275 1 16 . 1 1 63 63 ASP N N 63 121.259 121.259 120.767 0.492 19710 5276 1 16 . 1 1 63 63 ASP HA H 63 4.540 4.540 4.637 -0.097 19710 5277 1 16 . 1 1 63 63 ASP C C 63 175.024 175.024 175.930 -0.906 19710 5278 1 16 . 1 1 63 63 ASP CA C 63 54.569 54.569 54.278 0.291 19710 5279 1 16 . 1 1 63 63 ASP CB C 63 41.120 41.120 41.530 -0.410 19710 5280 1 16 . 1 1 63 63 ASP H H 63 8.263 8.263 8.429 -0.166 19710 5281 1 17 . 1 1 2 2 ALA HA H 2 4.257 4.257 5.075 -0.818 19710 5282 1 17 . 1 1 2 2 ALA CA C 2 52.527 52.527 51.992 0.535 19710 5283 1 17 . 1 1 2 2 ALA CB C 2 19.363 19.363 21.229 -1.866 19710 5284 1 17 . 1 1 4 4 GLY C C 4 173.756 173.756 174.287 -0.531 19710 5285 1 17 . 1 1 4 4 GLY CA C 4 45.291 45.291 46.060 -0.769 19710 5286 1 17 . 1 1 5 5 ASP N N 5 120.203 120.203 125.475 -5.272 19710 5287 1 17 . 1 1 5 5 ASP HA H 5 4.451 4.451 4.315 0.136 19710 5288 1 17 . 1 1 5 5 ASP C C 5 175.671 175.671 177.474 -1.803 19710 5289 1 17 . 1 1 5 5 ASP CA C 5 54.422 54.422 56.201 -1.779 19710 5290 1 17 . 1 1 5 5 ASP CB C 5 41.179 41.179 40.970 0.209 19710 5291 1 17 . 1 1 5 5 ASP H H 5 8.028 8.028 8.477 -0.449 19710 5292 1 17 . 1 1 6 6 LEU N N 6 121.200 121.200 121.969 -0.769 19710 5293 1 17 . 1 1 6 6 LEU HA H 6 4.135 4.135 4.724 -0.589 19710 5294 1 17 . 1 1 6 6 LEU C C 6 176.638 176.638 176.890 -0.252 19710 5295 1 17 . 1 1 6 6 LEU CA C 6 55.097 55.097 53.835 1.262 19710 5296 1 17 . 1 1 6 6 LEU CB C 6 42.364 42.364 39.610 2.754 19710 5297 1 17 . 1 1 6 6 LEU H H 6 7.873 7.873 7.454 0.419 19710 5298 1 17 . 1 1 7 7 TYR N N 7 121.938 121.938 120.269 1.669 19710 5299 1 17 . 1 1 7 7 TYR HA H 7 4.631 4.631 4.200 0.431 19710 5300 1 17 . 1 1 7 7 TYR C C 7 175.047 175.047 176.555 -1.508 19710 5301 1 17 . 1 1 7 7 TYR CA C 7 57.261 57.261 62.366 -5.105 19710 5302 1 17 . 1 1 7 7 TYR CB C 7 38.921 38.921 39.020 -0.099 19710 5303 1 17 . 1 1 7 7 TYR H H 7 8.011 8.011 7.768 0.243 19710 5304 1 17 . 1 1 8 8 GLU N N 8 122.393 122.393 115.989 6.404 19710 5305 1 17 . 1 1 8 8 GLU HA H 8 4.769 4.769 4.510 0.259 19710 5306 1 17 . 1 1 8 8 GLU C C 8 175.583 175.583 174.692 0.891 19710 5307 1 17 . 1 1 8 8 GLU CA C 8 54.988 54.988 55.506 -0.518 19710 5308 1 17 . 1 1 8 8 GLU CB C 8 32.551 32.551 31.035 1.516 19710 5309 1 17 . 1 1 8 8 GLU H H 8 9.047 9.047 8.399 0.648 19710 5310 1 17 . 1 1 9 9 VAL N N 9 126.546 126.546 122.811 3.735 19710 5311 1 17 . 1 1 9 9 VAL HA H 9 3.092 3.092 3.835 -0.743 19710 5312 1 17 . 1 1 9 9 VAL C C 9 175.170 175.170 175.213 -0.043 19710 5313 1 17 . 1 1 9 9 VAL CA C 9 64.309 64.309 60.203 4.106 19710 5314 1 17 . 1 1 9 9 VAL CB C 9 32.983 32.983 32.514 0.469 19710 5315 1 17 . 1 1 9 9 VAL H H 9 8.677 8.677 8.344 0.333 19710 5316 1 17 . 1 1 10 10 GLU N N 10 126.674 126.674 127.639 -0.965 19710 5317 1 17 . 1 1 10 10 GLU HA H 10 4.234 4.234 4.340 -0.106 19710 5318 1 17 . 1 1 10 10 GLU C C 10 175.505 175.505 176.692 -1.187 19710 5319 1 17 . 1 1 10 10 GLU CA C 10 57.459 57.459 58.638 -1.179 19710 5320 1 17 . 1 1 10 10 GLU CB C 10 31.296 31.296 31.304 -0.008 19710 5321 1 17 . 1 1 10 10 GLU H H 10 9.120 9.120 8.731 0.389 19710 5322 1 17 . 1 1 11 11 ARG N N 11 111.321 111.321 111.919 -0.598 19710 5323 1 17 . 1 1 11 11 ARG HA H 11 4.115 4.115 4.740 -0.625 19710 5324 1 17 . 1 1 11 11 ARG C C 11 172.330 172.330 174.003 -1.673 19710 5325 1 17 . 1 1 11 11 ARG CA C 11 54.723 54.723 55.226 -0.503 19710 5326 1 17 . 1 1 11 11 ARG CB C 11 32.309 32.309 31.535 0.774 19710 5327 1 17 . 1 1 11 11 ARG H H 11 7.476 7.476 7.704 -0.228 19710 5328 1 17 . 1 1 12 12 ILE N N 12 120.610 120.610 119.853 0.757 19710 5329 1 17 . 1 1 12 12 ILE HA H 12 4.085 4.085 4.078 0.007 19710 5330 1 17 . 1 1 12 12 ILE C C 12 175.353 175.353 176.351 -0.998 19710 5331 1 17 . 1 1 12 12 ILE CA C 12 60.515 60.515 61.961 -1.446 19710 5332 1 17 . 1 1 12 12 ILE CB C 12 38.338 38.338 37.940 0.398 19710 5333 1 17 . 1 1 12 12 ILE H H 12 8.295 8.295 8.605 -0.310 19710 5334 1 17 . 1 1 13 13 VAL N N 13 122.026 122.026 126.883 -4.857 19710 5335 1 17 . 1 1 13 13 VAL HA H 13 4.047 4.047 3.967 0.080 19710 5336 1 17 . 1 1 13 13 VAL C C 13 175.311 175.311 176.315 -1.004 19710 5337 1 17 . 1 1 13 13 VAL CA C 13 62.460 62.460 65.152 -2.692 19710 5338 1 17 . 1 1 13 13 VAL CB C 13 33.344 33.344 32.723 0.621 19710 5339 1 17 . 1 1 13 13 VAL H H 13 8.939 8.939 8.801 0.138 19710 5340 1 17 . 1 1 14 14 ASP N N 14 117.407 117.407 114.605 2.802 19710 5341 1 17 . 1 1 14 14 ASP HA H 14 4.776 4.776 4.921 -0.145 19710 5342 1 17 . 1 1 14 14 ASP C C 14 173.374 173.374 173.442 -0.068 19710 5343 1 17 . 1 1 14 14 ASP CA C 14 53.034 53.034 53.518 -0.484 19710 5344 1 17 . 1 1 14 14 ASP CB C 14 43.749 43.749 43.420 0.329 19710 5345 1 17 . 1 1 14 14 ASP H H 14 7.236 7.236 7.774 -0.538 19710 5346 1 17 . 1 1 15 15 LYS N N 15 118.628 118.628 117.930 0.698 19710 5347 1 17 . 1 1 15 15 LYS HA H 15 5.517 5.517 4.535 0.982 19710 5348 1 17 . 1 1 15 15 LYS C C 15 173.885 173.885 175.015 -1.130 19710 5349 1 17 . 1 1 15 15 LYS CA C 15 55.716 55.716 55.076 0.640 19710 5350 1 17 . 1 1 15 15 LYS CB C 15 37.575 37.575 34.557 3.018 19710 5351 1 17 . 1 1 15 15 LYS H H 15 9.430 9.430 8.220 1.210 19710 5352 1 17 . 1 1 16 16 ARG N N 16 120.175 120.175 117.630 2.545 19710 5353 1 17 . 1 1 16 16 ARG HA H 16 4.872 4.872 4.492 0.380 19710 5354 1 17 . 1 1 16 16 ARG C C 16 172.365 172.365 173.611 -1.246 19710 5355 1 17 . 1 1 16 16 ARG CA C 16 54.680 54.680 55.002 -0.322 19710 5356 1 17 . 1 1 16 16 ARG CB C 16 32.460 32.460 32.268 0.192 19710 5357 1 17 . 1 1 16 16 ARG H H 16 9.326 9.326 8.934 0.392 19710 5358 1 17 . 1 1 17 17 LYS N N 17 122.374 122.374 120.635 1.739 19710 5359 1 17 . 1 1 17 17 LYS HA H 17 4.306 4.306 4.775 -0.469 19710 5360 1 17 . 1 1 17 17 LYS C C 17 176.978 176.978 176.686 0.292 19710 5361 1 17 . 1 1 17 17 LYS CA C 17 54.557 54.557 54.640 -0.083 19710 5362 1 17 . 1 1 17 17 LYS CB C 17 33.310 33.310 33.511 -0.201 19710 5363 1 17 . 1 1 17 17 LYS H H 17 8.480 8.480 8.344 0.136 19710 5364 1 17 . 1 1 18 18 ASN N N 18 123.092 123.092 123.699 -0.607 19710 5365 1 17 . 1 1 18 18 ASN HA H 18 4.482 4.482 4.585 -0.103 19710 5366 1 17 . 1 1 18 18 ASN CA C 18 50.611 50.611 53.800 -3.189 19710 5367 1 17 . 1 1 18 18 ASN CB C 18 39.055 39.055 39.867 -0.812 19710 5368 1 17 . 1 1 18 18 ASN H H 18 8.736 8.736 8.442 0.294 19710 5369 1 17 . 1 1 19 19 LYS HA H 19 3.939 3.939 4.038 -0.099 19710 5370 1 17 . 1 1 19 19 LYS C C 19 177.548 177.548 177.706 -0.158 19710 5371 1 17 . 1 1 19 19 LYS CA C 19 58.543 58.543 58.758 -0.215 19710 5372 1 17 . 1 1 19 19 LYS CB C 19 31.933 31.933 31.914 0.019 19710 5373 1 17 . 1 1 20 20 LYS N N 20 117.362 117.362 118.919 -1.557 19710 5374 1 17 . 1 1 20 20 LYS HA H 20 4.262 4.262 4.198 0.064 19710 5375 1 17 . 1 1 20 20 LYS C C 20 176.514 176.514 176.590 -0.076 19710 5376 1 17 . 1 1 20 20 LYS CA C 20 55.489 55.489 56.157 -0.668 19710 5377 1 17 . 1 1 20 20 LYS CB C 20 32.105 32.105 32.845 -0.740 19710 5378 1 17 . 1 1 20 20 LYS H H 20 7.491 7.491 8.145 -0.654 19710 5379 1 17 . 1 1 21 21 GLY N N 21 107.275 107.275 108.216 -0.941 19710 5380 1 17 . 1 1 21 21 GLY C C 21 173.503 173.503 173.792 -0.289 19710 5381 1 17 . 1 1 21 21 GLY CA C 21 45.413 45.413 45.291 0.122 19710 5382 1 17 . 1 1 21 21 GLY H H 21 7.966 7.966 7.738 0.228 19710 5383 1 17 . 1 1 22 22 LYS N N 22 119.753 119.753 118.102 1.651 19710 5384 1 17 . 1 1 22 22 LYS HA H 22 4.380 4.380 4.752 -0.372 19710 5385 1 17 . 1 1 22 22 LYS C C 22 175.319 175.319 176.425 -1.106 19710 5386 1 17 . 1 1 22 22 LYS CA C 22 53.197 53.197 54.392 -1.195 19710 5387 1 17 . 1 1 22 22 LYS CB C 22 33.531 33.531 33.935 -0.404 19710 5388 1 17 . 1 1 22 22 LYS H H 22 7.457 7.457 7.809 -0.352 19710 5389 1 17 . 1 1 23 23 TRP N N 23 120.227 120.227 121.954 -1.727 19710 5390 1 17 . 1 1 23 23 TRP HA H 23 4.837 4.837 4.605 0.232 19710 5391 1 17 . 1 1 23 23 TRP C C 23 176.246 176.246 175.945 0.301 19710 5392 1 17 . 1 1 23 23 TRP CA C 23 57.338 57.338 57.889 -0.551 19710 5393 1 17 . 1 1 23 23 TRP CB C 23 31.142 31.142 28.768 2.374 19710 5394 1 17 . 1 1 23 23 TRP H H 23 8.564 8.564 9.064 -0.500 19710 5395 1 17 . 1 1 24 24 GLU N N 24 120.044 120.044 120.932 -0.888 19710 5396 1 17 . 1 1 24 24 GLU HA H 24 4.921 4.921 5.080 -0.159 19710 5397 1 17 . 1 1 24 24 GLU C C 24 174.505 174.505 175.284 -0.779 19710 5398 1 17 . 1 1 24 24 GLU CA C 24 54.223 54.223 55.078 -0.855 19710 5399 1 17 . 1 1 24 24 GLU CB C 24 33.711 33.711 34.668 -0.957 19710 5400 1 17 . 1 1 24 24 GLU H H 24 9.257 9.257 8.402 0.855 19710 5401 1 17 . 1 1 25 25 TYR N N 25 118.993 118.993 120.294 -1.301 19710 5402 1 17 . 1 1 25 25 TYR HA H 25 5.017 5.017 4.713 0.304 19710 5403 1 17 . 1 1 25 25 TYR C C 25 173.068 173.068 174.455 -1.387 19710 5404 1 17 . 1 1 25 25 TYR CA C 25 57.173 57.173 57.004 0.169 19710 5405 1 17 . 1 1 25 25 TYR CB C 25 41.873 41.873 41.509 0.364 19710 5406 1 17 . 1 1 25 25 TYR H H 25 9.119 9.119 9.271 -0.152 19710 5407 1 17 . 1 1 26 26 LEU N N 26 128.028 128.028 125.576 2.452 19710 5408 1 17 . 1 1 26 26 LEU HA H 26 3.632 3.632 4.618 -0.986 19710 5409 1 17 . 1 1 26 26 LEU C C 26 173.813 173.813 175.389 -1.576 19710 5410 1 17 . 1 1 26 26 LEU CA C 26 53.371 53.371 54.984 -1.613 19710 5411 1 17 . 1 1 26 26 LEU CB C 26 39.946 39.946 42.155 -2.209 19710 5412 1 17 . 1 1 26 26 LEU H H 26 7.788 7.788 8.319 -0.531 19710 5413 1 17 . 1 1 27 27 ILE N N 27 130.050 130.050 126.509 3.541 19710 5414 1 17 . 1 1 27 27 ILE HA H 27 3.604 3.604 4.543 -0.939 19710 5415 1 17 . 1 1 27 27 ILE C C 27 173.398 173.398 174.721 -1.323 19710 5416 1 17 . 1 1 27 27 ILE CA C 27 58.760 58.760 58.666 0.094 19710 5417 1 17 . 1 1 27 27 ILE CB C 27 38.186 38.186 39.886 -1.700 19710 5418 1 17 . 1 1 27 27 ILE H H 27 8.752 8.752 9.004 -0.252 19710 5419 1 17 . 1 1 28 28 ARG N N 28 123.071 123.071 119.887 3.184 19710 5420 1 17 . 1 1 28 28 ARG HA H 28 4.474 4.474 5.105 -0.631 19710 5421 1 17 . 1 1 28 28 ARG C C 28 174.476 174.476 175.005 -0.529 19710 5422 1 17 . 1 1 28 28 ARG CA C 28 52.104 52.104 54.477 -2.373 19710 5423 1 17 . 1 1 28 28 ARG CB C 28 29.007 29.007 33.232 -4.225 19710 5424 1 17 . 1 1 28 28 ARG H H 28 7.453 7.453 8.331 -0.878 19710 5425 1 17 . 1 1 29 29 TRP N N 29 132.787 132.787 122.712 10.075 19710 5426 1 17 . 1 1 29 29 TRP HA H 29 4.731 4.731 4.873 -0.142 19710 5427 1 17 . 1 1 29 29 TRP C C 29 176.623 176.623 176.008 0.615 19710 5428 1 17 . 1 1 29 29 TRP CA C 29 55.653 55.653 56.779 -1.126 19710 5429 1 17 . 1 1 29 29 TRP CB C 29 31.065 31.065 31.979 -0.914 19710 5430 1 17 . 1 1 29 29 TRP H H 29 9.197 9.197 9.084 0.113 19710 5431 1 17 . 1 1 30 30 LYS N N 30 122.843 122.843 121.209 1.634 19710 5432 1 17 . 1 1 30 30 LYS HA H 30 4.212 4.212 4.264 -0.052 19710 5433 1 17 . 1 1 30 30 LYS C C 30 177.688 177.688 177.580 0.108 19710 5434 1 17 . 1 1 30 30 LYS CA C 30 58.203 58.203 57.507 0.696 19710 5435 1 17 . 1 1 30 30 LYS CB C 30 33.152 33.152 32.598 0.554 19710 5436 1 17 . 1 1 30 30 LYS H H 30 9.134 9.134 8.577 0.557 19710 5437 1 17 . 1 1 31 31 GLY N N 31 113.057 113.057 113.181 -0.124 19710 5438 1 17 . 1 1 31 31 GLY C C 31 173.562 173.562 174.657 -1.095 19710 5439 1 17 . 1 1 31 31 GLY CA C 31 44.973 44.973 45.323 -0.350 19710 5440 1 17 . 1 1 31 31 GLY H H 31 8.646 8.646 8.759 -0.113 19710 5441 1 17 . 1 1 32 32 TYR N N 32 119.993 119.993 122.211 -2.218 19710 5442 1 17 . 1 1 32 32 TYR HA H 32 4.620 4.620 4.548 0.072 19710 5443 1 17 . 1 1 32 32 TYR C C 32 175.254 175.254 177.624 -2.370 19710 5444 1 17 . 1 1 32 32 TYR CA C 32 57.742 57.742 59.468 -1.726 19710 5445 1 17 . 1 1 32 32 TYR CB C 32 40.377 40.377 39.276 1.101 19710 5446 1 17 . 1 1 32 32 TYR H H 32 8.119 8.119 7.587 0.532 19710 5447 1 17 . 1 1 33 33 GLY N N 33 106.930 106.930 106.776 0.154 19710 5448 1 17 . 1 1 33 33 GLY CA C 33 44.052 44.052 46.975 -2.923 19710 5449 1 17 . 1 1 33 33 GLY H H 33 8.510 8.510 8.543 -0.033 19710 5450 1 17 . 1 1 34 34 SER HA H 34 4.437 4.437 4.374 0.063 19710 5451 1 17 . 1 1 34 34 SER C C 34 176.594 176.594 177.314 -0.720 19710 5452 1 17 . 1 1 34 34 SER CA C 34 60.033 60.033 60.875 -0.842 19710 5453 1 17 . 1 1 34 34 SER CB C 34 63.310 63.310 63.227 0.083 19710 5454 1 17 . 1 1 35 35 THR N N 35 113.722 113.722 114.175 -0.453 19710 5455 1 17 . 1 1 35 35 THR HA H 35 4.117 4.117 4.220 -0.103 19710 5456 1 17 . 1 1 35 35 THR C C 35 175.474 175.474 175.417 0.057 19710 5457 1 17 . 1 1 35 35 THR CA C 35 63.751 63.751 64.016 -0.265 19710 5458 1 17 . 1 1 35 35 THR CB C 35 68.542 68.542 68.624 -0.082 19710 5459 1 17 . 1 1 35 35 THR H H 35 7.788 7.788 8.043 -0.255 19710 5460 1 17 . 1 1 36 36 GLU N N 36 120.073 120.073 120.622 -0.549 19710 5461 1 17 . 1 1 36 36 GLU HA H 36 4.386 4.386 4.240 0.146 19710 5462 1 17 . 1 1 36 36 GLU C C 36 175.013 175.013 176.854 -1.841 19710 5463 1 17 . 1 1 36 36 GLU CA C 36 55.865 55.865 56.428 -0.563 19710 5464 1 17 . 1 1 36 36 GLU CB C 36 29.794 29.794 30.566 -0.772 19710 5465 1 17 . 1 1 36 36 GLU H H 36 7.825 7.825 7.453 0.372 19710 5466 1 17 . 1 1 37 37 ASP N N 37 121.647 121.647 121.326 0.321 19710 5467 1 17 . 1 1 37 37 ASP HA H 37 5.075 5.075 4.612 0.463 19710 5468 1 17 . 1 1 37 37 ASP C C 37 178.071 178.071 175.893 2.178 19710 5469 1 17 . 1 1 37 37 ASP CA C 37 55.606 55.606 55.575 0.031 19710 5470 1 17 . 1 1 37 37 ASP CB C 37 39.712 39.712 39.375 0.337 19710 5471 1 17 . 1 1 37 37 ASP H H 37 7.386 7.386 7.902 -0.516 19710 5472 1 17 . 1 1 38 38 THR N N 38 111.963 111.963 117.596 -5.633 19710 5473 1 17 . 1 1 38 38 THR HA H 38 4.675 4.675 4.095 0.580 19710 5474 1 17 . 1 1 38 38 THR C C 38 173.399 173.399 173.145 0.254 19710 5475 1 17 . 1 1 38 38 THR CA C 38 59.483 59.483 59.863 -0.380 19710 5476 1 17 . 1 1 38 38 THR CB C 38 71.810 71.810 70.900 0.910 19710 5477 1 17 . 1 1 38 38 THR H H 38 7.821 7.821 8.183 -0.362 19710 5478 1 17 . 1 1 39 39 TRP N N 39 123.340 123.340 125.177 -1.837 19710 5479 1 17 . 1 1 39 39 TRP HA H 39 4.835 4.835 5.155 -0.320 19710 5480 1 17 . 1 1 39 39 TRP C C 39 177.090 177.090 176.526 0.564 19710 5481 1 17 . 1 1 39 39 TRP CA C 39 56.443 56.443 55.980 0.463 19710 5482 1 17 . 1 1 39 39 TRP CB C 39 29.574 29.574 29.138 0.436 19710 5483 1 17 . 1 1 39 39 TRP H H 39 8.546 8.546 8.456 0.090 19710 5484 1 17 . 1 1 40 40 GLU N N 40 124.822 124.822 125.396 -0.574 19710 5485 1 17 . 1 1 40 40 GLU HA H 40 5.196 5.196 4.957 0.239 19710 5486 1 17 . 1 1 40 40 GLU CA C 40 51.859 51.859 52.971 -1.112 19710 5487 1 17 . 1 1 40 40 GLU CB C 40 31.934 31.934 30.609 1.325 19710 5488 1 17 . 1 1 40 40 GLU H H 40 9.710 9.710 8.418 1.292 19710 5489 1 17 . 1 1 41 41 PRO HA H 41 4.783 4.783 4.819 -0.036 19710 5490 1 17 . 1 1 41 41 PRO C C 41 178.201 178.201 178.662 -0.461 19710 5491 1 17 . 1 1 41 41 PRO CA C 41 62.030 62.030 62.694 -0.664 19710 5492 1 17 . 1 1 41 41 PRO CB C 41 32.833 32.833 33.002 -0.169 19710 5493 1 17 . 1 1 42 42 GLU N N 42 118.959 118.959 121.633 -2.674 19710 5494 1 17 . 1 1 42 42 GLU HA H 42 3.984 3.984 3.961 0.023 19710 5495 1 17 . 1 1 42 42 GLU C C 42 177.841 177.841 178.697 -0.856 19710 5496 1 17 . 1 1 42 42 GLU CA C 42 60.156 60.156 60.101 0.055 19710 5497 1 17 . 1 1 42 42 GLU CB C 42 30.554 30.554 29.720 0.834 19710 5498 1 17 . 1 1 42 42 GLU H H 42 8.531 8.531 8.383 0.148 19710 5499 1 17 . 1 1 43 43 HIS N N 43 113.679 113.679 113.431 0.248 19710 5500 1 17 . 1 1 43 43 HIS HA H 43 4.592 4.592 4.464 0.128 19710 5501 1 17 . 1 1 43 43 HIS C C 43 176.547 176.547 176.137 0.410 19710 5502 1 17 . 1 1 43 43 HIS CA C 43 58.187 58.187 58.111 0.076 19710 5503 1 17 . 1 1 43 43 HIS CB C 43 29.362 29.362 29.207 0.155 19710 5504 1 17 . 1 1 43 43 HIS H H 43 7.998 7.998 8.776 -0.778 19710 5505 1 17 . 1 1 44 44 HIS N N 44 119.428 119.428 115.615 3.813 19710 5506 1 17 . 1 1 44 44 HIS HA H 44 4.886 4.886 4.721 0.165 19710 5507 1 17 . 1 1 44 44 HIS C C 44 175.566 175.566 176.117 -0.551 19710 5508 1 17 . 1 1 44 44 HIS CA C 44 55.392 55.392 56.479 -1.087 19710 5509 1 17 . 1 1 44 44 HIS CB C 44 30.049 30.049 32.425 -2.376 19710 5510 1 17 . 1 1 44 44 HIS H H 44 7.755 7.755 7.920 -0.165 19710 5511 1 17 . 1 1 45 45 LEU N N 45 119.789 119.789 119.064 0.725 19710 5512 1 17 . 1 1 45 45 LEU HA H 45 4.580 4.580 4.217 0.363 19710 5513 1 17 . 1 1 45 45 LEU C C 45 176.926 176.926 175.753 1.173 19710 5514 1 17 . 1 1 45 45 LEU CA C 45 53.930 53.930 57.331 -3.401 19710 5515 1 17 . 1 1 45 45 LEU CB C 45 42.010 42.010 42.778 -0.768 19710 5516 1 17 . 1 1 45 45 LEU H H 45 7.601 7.601 7.750 -0.149 19710 5517 1 17 . 1 1 46 46 LEU N N 46 121.462 121.462 114.703 6.759 19710 5518 1 17 . 1 1 46 46 LEU HA H 46 4.100 4.100 4.392 -0.292 19710 5519 1 17 . 1 1 46 46 LEU CA C 46 56.925 56.925 53.560 3.365 19710 5520 1 17 . 1 1 46 46 LEU CB C 46 41.703 41.703 44.068 -2.365 19710 5521 1 17 . 1 1 46 46 LEU H H 46 7.696 7.696 7.503 0.193 19710 5522 1 17 . 1 1 47 47 HIS HA H 47 4.742 4.742 4.399 0.343 19710 5523 1 17 . 1 1 47 47 HIS C C 47 175.940 175.940 174.662 1.278 19710 5524 1 17 . 1 1 47 47 HIS CA C 47 56.483 56.483 57.726 -1.243 19710 5525 1 17 . 1 1 47 47 HIS CB C 47 29.209 29.209 30.345 -1.136 19710 5526 1 17 . 1 1 48 48 CYS N N 48 118.214 118.214 118.142 0.072 19710 5527 1 17 . 1 1 48 48 CYS HA H 48 4.902 4.902 4.695 0.207 19710 5528 1 17 . 1 1 48 48 CYS C C 48 174.988 174.988 175.115 -0.127 19710 5529 1 17 . 1 1 48 48 CYS CA C 48 57.439 57.439 57.404 0.035 19710 5530 1 17 . 1 1 48 48 CYS CB C 48 28.038 28.038 30.491 -2.453 19710 5531 1 17 . 1 1 48 48 CYS H H 48 7.823 7.823 7.762 0.061 19710 5532 1 17 . 1 1 49 49 GLU N N 49 122.478 122.478 124.375 -1.897 19710 5533 1 17 . 1 1 49 49 GLU HA H 49 3.718 3.718 4.049 -0.331 19710 5534 1 17 . 1 1 49 49 GLU C C 49 177.607 177.607 177.267 0.340 19710 5535 1 17 . 1 1 49 49 GLU CA C 49 60.496 60.496 58.725 1.771 19710 5536 1 17 . 1 1 49 49 GLU CB C 49 29.391 29.391 29.828 -0.437 19710 5537 1 17 . 1 1 49 49 GLU H H 49 8.524 8.524 9.004 -0.480 19710 5538 1 17 . 1 1 50 50 GLU N N 50 118.424 118.424 118.467 -0.043 19710 5539 1 17 . 1 1 50 50 GLU HA H 50 4.035 4.035 4.028 0.007 19710 5540 1 17 . 1 1 50 50 GLU C C 50 178.942 178.942 178.697 0.245 19710 5541 1 17 . 1 1 50 50 GLU CA C 50 59.341 59.341 59.099 0.242 19710 5542 1 17 . 1 1 50 50 GLU CB C 50 28.492 28.492 28.709 -0.217 19710 5543 1 17 . 1 1 50 50 GLU H H 50 9.192 9.192 8.871 0.321 19710 5544 1 17 . 1 1 51 51 PHE N N 51 117.631 117.631 116.669 0.962 19710 5545 1 17 . 1 1 51 51 PHE HA H 51 4.345 4.345 4.555 -0.210 19710 5546 1 17 . 1 1 51 51 PHE C C 51 179.013 179.013 178.284 0.729 19710 5547 1 17 . 1 1 51 51 PHE CA C 51 59.916 59.916 60.897 -0.981 19710 5548 1 17 . 1 1 51 51 PHE CB C 51 38.425 38.425 38.565 -0.140 19710 5549 1 17 . 1 1 51 51 PHE H H 51 7.350 7.350 7.680 -0.330 19710 5550 1 17 . 1 1 52 52 ILE N N 52 123.512 123.512 119.696 3.816 19710 5551 1 17 . 1 1 52 52 ILE HA H 52 3.260 3.260 3.725 -0.465 19710 5552 1 17 . 1 1 52 52 ILE C C 52 177.036 177.036 177.748 -0.712 19710 5553 1 17 . 1 1 52 52 ILE CA C 52 65.356 65.356 64.596 0.760 19710 5554 1 17 . 1 1 52 52 ILE CB C 52 38.172 38.172 37.475 0.697 19710 5555 1 17 . 1 1 52 52 ILE H H 52 7.625 7.625 7.854 -0.229 19710 5556 1 17 . 1 1 53 53 ASP N N 53 120.257 120.257 119.834 0.423 19710 5557 1 17 . 1 1 53 53 ASP HA H 53 4.302 4.302 4.367 -0.065 19710 5558 1 17 . 1 1 53 53 ASP C C 53 179.243 179.243 178.344 0.899 19710 5559 1 17 . 1 1 53 53 ASP CA C 53 57.343 57.343 57.959 -0.616 19710 5560 1 17 . 1 1 53 53 ASP CB C 53 40.085 40.085 41.040 -0.955 19710 5561 1 17 . 1 1 53 53 ASP H H 53 8.144 8.144 8.110 0.034 19710 5562 1 17 . 1 1 54 54 GLU N N 54 119.707 119.707 119.304 0.403 19710 5563 1 17 . 1 1 54 54 GLU HA H 54 3.944 3.944 4.031 -0.087 19710 5564 1 17 . 1 1 54 54 GLU C C 54 178.652 178.652 178.702 -0.050 19710 5565 1 17 . 1 1 54 54 GLU CA C 54 59.071 59.071 58.752 0.319 19710 5566 1 17 . 1 1 54 54 GLU CB C 54 29.765 29.765 29.223 0.542 19710 5567 1 17 . 1 1 54 54 GLU H H 54 7.875 7.875 7.903 -0.028 19710 5568 1 17 . 1 1 55 55 PHE N N 55 120.573 120.573 121.772 -1.199 19710 5569 1 17 . 1 1 55 55 PHE HA H 55 4.138 4.138 4.297 -0.159 19710 5570 1 17 . 1 1 55 55 PHE C C 55 177.460 177.460 176.952 0.508 19710 5571 1 17 . 1 1 55 55 PHE CA C 55 61.425 61.425 60.474 0.951 19710 5572 1 17 . 1 1 55 55 PHE CB C 55 39.347 39.347 39.377 -0.030 19710 5573 1 17 . 1 1 55 55 PHE H H 55 7.784 7.784 8.064 -0.280 19710 5574 1 17 . 1 1 56 56 ASN N N 56 117.284 117.284 117.100 0.184 19710 5575 1 17 . 1 1 56 56 ASN HA H 56 4.349 4.349 4.248 0.101 19710 5576 1 17 . 1 1 56 56 ASN C C 56 177.227 177.227 177.196 0.031 19710 5577 1 17 . 1 1 56 56 ASN CA C 56 54.592 54.592 55.705 -1.113 19710 5578 1 17 . 1 1 56 56 ASN CB C 56 37.947 37.947 38.480 -0.533 19710 5579 1 17 . 1 1 56 56 ASN H H 56 8.563 8.563 8.184 0.379 19710 5580 1 17 . 1 1 57 57 GLY N N 57 107.640 107.640 106.014 1.626 19710 5581 1 17 . 1 1 57 57 GLY C C 57 174.906 174.906 175.186 -0.280 19710 5582 1 17 . 1 1 57 57 GLY CA C 57 46.079 46.079 46.136 -0.057 19710 5583 1 17 . 1 1 57 57 GLY H H 57 7.890 7.890 7.617 0.273 19710 5584 1 17 . 1 1 58 58 LEU N N 58 120.735 120.735 116.276 4.459 19710 5585 1 17 . 1 1 58 58 LEU HA H 58 4.110 4.110 4.777 -0.667 19710 5586 1 17 . 1 1 58 58 LEU C C 58 177.607 177.607 177.497 0.110 19710 5587 1 17 . 1 1 58 58 LEU CA C 58 55.836 55.836 55.165 0.671 19710 5588 1 17 . 1 1 58 58 LEU CB C 58 42.340 42.340 41.177 1.163 19710 5589 1 17 . 1 1 58 58 LEU H H 58 7.528 7.528 7.512 0.016 19710 5590 1 17 . 1 1 59 59 HIS N N 59 118.359 118.359 118.941 -0.582 19710 5591 1 17 . 1 1 59 59 HIS HA H 59 4.417 4.417 4.287 0.130 19710 5592 1 17 . 1 1 59 59 HIS C C 59 175.499 175.499 176.493 -0.994 19710 5593 1 17 . 1 1 59 59 HIS CA C 59 56.604 56.604 58.634 -2.030 19710 5594 1 17 . 1 1 59 59 HIS CB C 59 30.480 30.480 29.860 0.620 19710 5595 1 17 . 1 1 59 59 HIS H H 59 7.875 7.875 7.714 0.161 19710 5596 1 17 . 1 1 60 60 MET N N 60 120.255 120.255 116.802 3.453 19710 5597 1 17 . 1 1 60 60 MET HA H 60 4.365 4.365 4.465 -0.100 19710 5598 1 17 . 1 1 60 60 MET CA C 60 55.643 55.643 55.292 0.351 19710 5599 1 17 . 1 1 60 60 MET CB C 60 32.684 32.684 33.708 -1.024 19710 5600 1 17 . 1 1 60 60 MET H H 60 7.884 7.884 7.902 -0.018 19710 5601 1 17 . 1 1 62 62 LYS HA H 62 4.301 4.301 4.381 -0.080 19710 5602 1 17 . 1 1 62 62 LYS C C 62 176.168 176.168 175.831 0.337 19710 5603 1 17 . 1 1 62 62 LYS CA C 62 56.312 56.312 55.698 0.614 19710 5604 1 17 . 1 1 62 62 LYS CB C 62 32.975 32.975 31.575 1.400 19710 5605 1 17 . 1 1 63 63 ASP N N 63 121.259 121.259 127.318 -6.059 19710 5606 1 17 . 1 1 63 63 ASP HA H 63 4.540 4.540 4.543 -0.003 19710 5607 1 17 . 1 1 63 63 ASP C C 63 175.024 175.024 175.742 -0.718 19710 5608 1 17 . 1 1 63 63 ASP CA C 63 54.569 54.569 54.591 -0.022 19710 5609 1 17 . 1 1 63 63 ASP CB C 63 41.120 41.120 41.753 -0.633 19710 5610 1 17 . 1 1 63 63 ASP H H 63 8.263 8.263 8.164 0.099 19710 5611 1 18 . 1 1 2 2 ALA HA H 2 4.257 4.257 4.185 0.072 19710 5612 1 18 . 1 1 2 2 ALA CA C 2 52.527 52.527 52.124 0.403 19710 5613 1 18 . 1 1 2 2 ALA CB C 2 19.363 19.363 18.811 0.553 19710 5614 1 18 . 1 1 4 4 GLY C C 4 173.756 173.756 173.148 0.608 19710 5615 1 18 . 1 1 4 4 GLY CA C 4 45.291 45.291 45.129 0.162 19710 5616 1 18 . 1 1 5 5 ASP N N 5 120.203 120.203 119.726 0.477 19710 5617 1 18 . 1 1 5 5 ASP HA H 5 4.451 4.451 4.397 0.054 19710 5618 1 18 . 1 1 5 5 ASP C C 5 175.671 175.671 177.128 -1.457 19710 5619 1 18 . 1 1 5 5 ASP CA C 5 54.422 54.422 55.584 -1.162 19710 5620 1 18 . 1 1 5 5 ASP CB C 5 41.179 41.179 41.233 -0.053 19710 5621 1 18 . 1 1 5 5 ASP H H 5 8.028 8.028 8.501 -0.473 19710 5622 1 18 . 1 1 6 6 LEU N N 6 121.200 121.200 120.616 0.584 19710 5623 1 18 . 1 1 6 6 LEU HA H 6 4.135 4.135 3.589 0.546 19710 5624 1 18 . 1 1 6 6 LEU C C 6 176.638 176.638 176.509 0.129 19710 5625 1 18 . 1 1 6 6 LEU CA C 6 55.097 55.097 53.681 1.416 19710 5626 1 18 . 1 1 6 6 LEU CB C 6 42.364 42.364 39.478 2.886 19710 5627 1 18 . 1 1 6 6 LEU H H 6 7.873 7.873 7.490 0.383 19710 5628 1 18 . 1 1 7 7 TYR N N 7 121.938 121.938 121.162 0.776 19710 5629 1 18 . 1 1 7 7 TYR HA H 7 4.631 4.631 4.042 0.589 19710 5630 1 18 . 1 1 7 7 TYR C C 7 175.047 175.047 176.404 -1.357 19710 5631 1 18 . 1 1 7 7 TYR CA C 7 57.261 57.261 60.784 -3.523 19710 5632 1 18 . 1 1 7 7 TYR CB C 7 38.921 38.921 38.852 0.069 19710 5633 1 18 . 1 1 7 7 TYR H H 7 8.011 8.011 7.317 0.694 19710 5634 1 18 . 1 1 8 8 GLU N N 8 122.393 122.393 118.137 4.256 19710 5635 1 18 . 1 1 8 8 GLU HA H 8 4.769 4.769 4.488 0.281 19710 5636 1 18 . 1 1 8 8 GLU C C 8 175.583 175.583 174.670 0.913 19710 5637 1 18 . 1 1 8 8 GLU CA C 8 54.988 54.988 55.271 -0.283 19710 5638 1 18 . 1 1 8 8 GLU CB C 8 32.551 32.551 31.018 1.533 19710 5639 1 18 . 1 1 8 8 GLU H H 8 9.047 9.047 8.235 0.812 19710 5640 1 18 . 1 1 9 9 VAL N N 9 126.546 126.546 121.518 5.028 19710 5641 1 18 . 1 1 9 9 VAL HA H 9 3.092 3.092 4.254 -1.162 19710 5642 1 18 . 1 1 9 9 VAL C C 9 175.170 175.170 175.592 -0.422 19710 5643 1 18 . 1 1 9 9 VAL CA C 9 64.309 64.309 61.904 2.405 19710 5644 1 18 . 1 1 9 9 VAL CB C 9 32.983 32.983 32.466 0.517 19710 5645 1 18 . 1 1 9 9 VAL H H 9 8.677 8.677 8.198 0.479 19710 5646 1 18 . 1 1 10 10 GLU N N 10 126.674 126.674 129.862 -3.188 19710 5647 1 18 . 1 1 10 10 GLU HA H 10 4.234 4.234 4.351 -0.117 19710 5648 1 18 . 1 1 10 10 GLU C C 10 175.505 175.505 176.395 -0.890 19710 5649 1 18 . 1 1 10 10 GLU CA C 10 57.459 57.459 58.135 -0.675 19710 5650 1 18 . 1 1 10 10 GLU CB C 10 31.296 31.296 30.767 0.529 19710 5651 1 18 . 1 1 10 10 GLU H H 10 9.120 9.120 8.801 0.319 19710 5652 1 18 . 1 1 11 11 ARG N N 11 111.321 111.321 111.953 -0.632 19710 5653 1 18 . 1 1 11 11 ARG HA H 11 4.115 4.115 4.999 -0.884 19710 5654 1 18 . 1 1 11 11 ARG C C 11 172.330 172.330 174.051 -1.721 19710 5655 1 18 . 1 1 11 11 ARG CA C 11 54.723 54.723 55.053 -0.330 19710 5656 1 18 . 1 1 11 11 ARG CB C 11 32.309 32.309 32.383 -0.074 19710 5657 1 18 . 1 1 11 11 ARG H H 11 7.476 7.476 7.805 -0.329 19710 5658 1 18 . 1 1 12 12 ILE N N 12 120.610 120.610 120.405 0.205 19710 5659 1 18 . 1 1 12 12 ILE HA H 12 4.085 4.085 4.264 -0.179 19710 5660 1 18 . 1 1 12 12 ILE C C 12 175.353 175.353 176.690 -1.337 19710 5661 1 18 . 1 1 12 12 ILE CA C 12 60.515 60.515 62.111 -1.596 19710 5662 1 18 . 1 1 12 12 ILE CB C 12 38.338 38.338 37.592 0.746 19710 5663 1 18 . 1 1 12 12 ILE H H 12 8.295 8.295 8.885 -0.590 19710 5664 1 18 . 1 1 13 13 VAL N N 13 122.026 122.026 126.918 -4.892 19710 5665 1 18 . 1 1 13 13 VAL HA H 13 4.047 4.047 3.986 0.061 19710 5666 1 18 . 1 1 13 13 VAL C C 13 175.311 175.311 176.398 -1.087 19710 5667 1 18 . 1 1 13 13 VAL CA C 13 62.460 62.460 65.139 -2.679 19710 5668 1 18 . 1 1 13 13 VAL CB C 13 33.344 33.344 32.545 0.799 19710 5669 1 18 . 1 1 13 13 VAL H H 13 8.939 8.939 8.644 0.295 19710 5670 1 18 . 1 1 14 14 ASP N N 14 117.407 117.407 115.497 1.910 19710 5671 1 18 . 1 1 14 14 ASP HA H 14 4.776 4.776 4.955 -0.179 19710 5672 1 18 . 1 1 14 14 ASP C C 14 173.374 173.374 173.519 -0.145 19710 5673 1 18 . 1 1 14 14 ASP CA C 14 53.034 53.034 53.105 -0.071 19710 5674 1 18 . 1 1 14 14 ASP CB C 14 43.749 43.749 43.630 0.119 19710 5675 1 18 . 1 1 14 14 ASP H H 14 7.236 7.236 7.936 -0.700 19710 5676 1 18 . 1 1 15 15 LYS N N 15 118.628 118.628 119.044 -0.416 19710 5677 1 18 . 1 1 15 15 LYS HA H 15 5.517 5.517 4.369 1.148 19710 5678 1 18 . 1 1 15 15 LYS C C 15 173.885 173.885 174.559 -0.674 19710 5679 1 18 . 1 1 15 15 LYS CA C 15 55.716 55.716 54.992 0.723 19710 5680 1 18 . 1 1 15 15 LYS CB C 15 37.575 37.575 34.904 2.671 19710 5681 1 18 . 1 1 15 15 LYS H H 15 9.430 9.430 8.276 1.154 19710 5682 1 18 . 1 1 16 16 ARG N N 16 120.175 120.175 118.635 1.540 19710 5683 1 18 . 1 1 16 16 ARG HA H 16 4.872 4.872 4.537 0.335 19710 5684 1 18 . 1 1 16 16 ARG C C 16 172.365 172.365 173.587 -1.222 19710 5685 1 18 . 1 1 16 16 ARG CA C 16 54.680 54.680 54.828 -0.148 19710 5686 1 18 . 1 1 16 16 ARG CB C 16 32.460 32.460 32.533 -0.073 19710 5687 1 18 . 1 1 16 16 ARG H H 16 9.326 9.326 8.601 0.725 19710 5688 1 18 . 1 1 17 17 LYS N N 17 122.374 122.374 119.453 2.921 19710 5689 1 18 . 1 1 17 17 LYS HA H 17 4.306 4.306 4.877 -0.571 19710 5690 1 18 . 1 1 17 17 LYS C C 17 176.978 176.978 176.142 0.836 19710 5691 1 18 . 1 1 17 17 LYS CA C 17 54.557 54.557 54.076 0.481 19710 5692 1 18 . 1 1 17 17 LYS CB C 17 33.310 33.310 34.824 -1.514 19710 5693 1 18 . 1 1 17 17 LYS H H 17 8.480 8.480 8.286 0.194 19710 5694 1 18 . 1 1 18 18 ASN N N 18 123.092 123.092 121.717 1.375 19710 5695 1 18 . 1 1 18 18 ASN HA H 18 4.482 4.482 4.561 -0.079 19710 5696 1 18 . 1 1 18 18 ASN CA C 18 50.611 50.611 53.468 -2.857 19710 5697 1 18 . 1 1 18 18 ASN CB C 18 39.055 39.055 40.204 -1.149 19710 5698 1 18 . 1 1 18 18 ASN H H 18 8.736 8.736 8.415 0.321 19710 5699 1 18 . 1 1 19 19 LYS HA H 19 3.939 3.939 3.996 -0.057 19710 5700 1 18 . 1 1 19 19 LYS C C 19 177.548 177.548 177.755 -0.207 19710 5701 1 18 . 1 1 19 19 LYS CA C 19 58.543 58.543 58.349 0.194 19710 5702 1 18 . 1 1 19 19 LYS CB C 19 31.933 31.933 32.201 -0.268 19710 5703 1 18 . 1 1 20 20 LYS N N 20 117.362 117.362 119.827 -2.465 19710 5704 1 18 . 1 1 20 20 LYS HA H 20 4.262 4.262 4.232 0.030 19710 5705 1 18 . 1 1 20 20 LYS C C 20 176.514 176.514 176.896 -0.382 19710 5706 1 18 . 1 1 20 20 LYS CA C 20 55.489 55.489 56.741 -1.252 19710 5707 1 18 . 1 1 20 20 LYS CB C 20 32.105 32.105 33.042 -0.937 19710 5708 1 18 . 1 1 20 20 LYS H H 20 7.491 7.491 7.992 -0.501 19710 5709 1 18 . 1 1 21 21 GLY N N 21 107.275 107.275 106.480 0.795 19710 5710 1 18 . 1 1 21 21 GLY C C 21 173.503 173.503 173.631 -0.128 19710 5711 1 18 . 1 1 21 21 GLY CA C 21 45.413 45.413 44.619 0.794 19710 5712 1 18 . 1 1 21 21 GLY H H 21 7.966 7.966 7.306 0.660 19710 5713 1 18 . 1 1 22 22 LYS N N 22 119.753 119.753 118.783 0.970 19710 5714 1 18 . 1 1 22 22 LYS HA H 22 4.380 4.380 4.175 0.205 19710 5715 1 18 . 1 1 22 22 LYS C C 22 175.319 175.319 176.518 -1.199 19710 5716 1 18 . 1 1 22 22 LYS CA C 22 53.197 53.197 55.567 -2.370 19710 5717 1 18 . 1 1 22 22 LYS CB C 22 33.531 33.531 33.162 0.369 19710 5718 1 18 . 1 1 22 22 LYS H H 22 7.457 7.457 7.605 -0.148 19710 5719 1 18 . 1 1 23 23 TRP N N 23 120.227 120.227 122.862 -2.635 19710 5720 1 18 . 1 1 23 23 TRP HA H 23 4.837 4.837 4.630 0.207 19710 5721 1 18 . 1 1 23 23 TRP C C 23 176.246 176.246 176.002 0.244 19710 5722 1 18 . 1 1 23 23 TRP CA C 23 57.338 57.338 57.360 -0.022 19710 5723 1 18 . 1 1 23 23 TRP CB C 23 31.142 31.142 29.208 1.934 19710 5724 1 18 . 1 1 23 23 TRP H H 23 8.564 8.564 8.951 -0.387 19710 5725 1 18 . 1 1 24 24 GLU N N 24 120.044 120.044 121.361 -1.317 19710 5726 1 18 . 1 1 24 24 GLU HA H 24 4.921 4.921 5.169 -0.248 19710 5727 1 18 . 1 1 24 24 GLU C C 24 174.505 174.505 175.293 -0.788 19710 5728 1 18 . 1 1 24 24 GLU CA C 24 54.223 54.223 54.445 -0.222 19710 5729 1 18 . 1 1 24 24 GLU CB C 24 33.711 33.711 33.742 -0.031 19710 5730 1 18 . 1 1 24 24 GLU H H 24 9.257 9.257 8.428 0.829 19710 5731 1 18 . 1 1 25 25 TYR N N 25 118.993 118.993 120.732 -1.739 19710 5732 1 18 . 1 1 25 25 TYR HA H 25 5.017 5.017 4.726 0.291 19710 5733 1 18 . 1 1 25 25 TYR C C 25 173.068 173.068 174.291 -1.223 19710 5734 1 18 . 1 1 25 25 TYR CA C 25 57.173 57.173 57.089 0.084 19710 5735 1 18 . 1 1 25 25 TYR CB C 25 41.873 41.873 41.837 0.037 19710 5736 1 18 . 1 1 25 25 TYR H H 25 9.119 9.119 9.377 -0.258 19710 5737 1 18 . 1 1 26 26 LEU N N 26 128.028 128.028 125.344 2.684 19710 5738 1 18 . 1 1 26 26 LEU HA H 26 3.632 3.632 4.669 -1.037 19710 5739 1 18 . 1 1 26 26 LEU C C 26 173.813 173.813 175.527 -1.714 19710 5740 1 18 . 1 1 26 26 LEU CA C 26 53.371 53.371 55.134 -1.763 19710 5741 1 18 . 1 1 26 26 LEU CB C 26 39.946 39.946 42.547 -2.602 19710 5742 1 18 . 1 1 26 26 LEU H H 26 7.788 7.788 8.264 -0.476 19710 5743 1 18 . 1 1 27 27 ILE N N 27 130.050 130.050 126.276 3.774 19710 5744 1 18 . 1 1 27 27 ILE HA H 27 3.604 3.604 4.770 -1.166 19710 5745 1 18 . 1 1 27 27 ILE C C 27 173.398 173.398 174.904 -1.506 19710 5746 1 18 . 1 1 27 27 ILE CA C 27 58.760 58.760 58.342 0.418 19710 5747 1 18 . 1 1 27 27 ILE CB C 27 38.186 38.186 39.459 -1.273 19710 5748 1 18 . 1 1 27 27 ILE H H 27 8.752 8.752 9.256 -0.504 19710 5749 1 18 . 1 1 28 28 ARG N N 28 123.071 123.071 122.761 0.310 19710 5750 1 18 . 1 1 28 28 ARG HA H 28 4.474 4.474 4.846 -0.372 19710 5751 1 18 . 1 1 28 28 ARG C C 28 174.476 174.476 175.281 -0.805 19710 5752 1 18 . 1 1 28 28 ARG CA C 28 52.104 52.104 54.185 -2.081 19710 5753 1 18 . 1 1 28 28 ARG CB C 28 29.007 29.007 32.450 -3.443 19710 5754 1 18 . 1 1 28 28 ARG H H 28 7.453 7.453 8.836 -1.383 19710 5755 1 18 . 1 1 29 29 TRP N N 29 132.787 132.787 123.525 9.262 19710 5756 1 18 . 1 1 29 29 TRP HA H 29 4.731 4.731 4.995 -0.264 19710 5757 1 18 . 1 1 29 29 TRP C C 29 176.623 176.623 175.929 0.694 19710 5758 1 18 . 1 1 29 29 TRP CA C 29 55.653 55.653 53.670 1.983 19710 5759 1 18 . 1 1 29 29 TRP CB C 29 31.065 31.065 30.551 0.514 19710 5760 1 18 . 1 1 29 29 TRP H H 29 9.197 9.197 7.970 1.227 19710 5761 1 18 . 1 1 30 30 LYS N N 30 122.843 122.843 124.500 -1.657 19710 5762 1 18 . 1 1 30 30 LYS HA H 30 4.212 4.212 4.287 -0.075 19710 5763 1 18 . 1 1 30 30 LYS C C 30 177.688 177.688 176.952 0.736 19710 5764 1 18 . 1 1 30 30 LYS CA C 30 58.203 58.203 58.078 0.125 19710 5765 1 18 . 1 1 30 30 LYS CB C 30 33.152 33.152 33.070 0.082 19710 5766 1 18 . 1 1 30 30 LYS H H 30 9.134 9.134 8.607 0.527 19710 5767 1 18 . 1 1 31 31 GLY N N 31 113.057 113.057 112.475 0.582 19710 5768 1 18 . 1 1 31 31 GLY C C 31 173.562 173.562 174.580 -1.018 19710 5769 1 18 . 1 1 31 31 GLY CA C 31 44.973 44.973 44.813 0.160 19710 5770 1 18 . 1 1 31 31 GLY H H 31 8.646 8.646 8.755 -0.109 19710 5771 1 18 . 1 1 32 32 TYR N N 32 119.993 119.993 121.040 -1.047 19710 5772 1 18 . 1 1 32 32 TYR HA H 32 4.620 4.620 4.781 -0.161 19710 5773 1 18 . 1 1 32 32 TYR C C 32 175.254 175.254 176.375 -1.121 19710 5774 1 18 . 1 1 32 32 TYR CA C 32 57.742 57.742 57.023 0.719 19710 5775 1 18 . 1 1 32 32 TYR CB C 32 40.377 40.377 39.664 0.713 19710 5776 1 18 . 1 1 32 32 TYR H H 32 8.119 8.119 7.727 0.392 19710 5777 1 18 . 1 1 33 33 GLY N N 33 106.930 106.930 108.119 -1.189 19710 5778 1 18 . 1 1 33 33 GLY CA C 33 44.052 44.052 44.610 -0.558 19710 5779 1 18 . 1 1 33 33 GLY H H 33 8.510 8.510 8.407 0.103 19710 5780 1 18 . 1 1 34 34 SER HA H 34 4.437 4.437 4.185 0.252 19710 5781 1 18 . 1 1 34 34 SER C C 34 176.594 176.594 176.425 0.169 19710 5782 1 18 . 1 1 34 34 SER CA C 34 60.033 60.033 60.584 -0.551 19710 5783 1 18 . 1 1 34 34 SER CB C 34 63.310 63.310 63.191 0.120 19710 5784 1 18 . 1 1 35 35 THR N N 35 113.722 113.722 116.903 -3.181 19710 5785 1 18 . 1 1 35 35 THR HA H 35 4.117 4.117 4.129 -0.012 19710 5786 1 18 . 1 1 35 35 THR C C 35 175.474 175.474 175.479 -0.005 19710 5787 1 18 . 1 1 35 35 THR CA C 35 63.751 63.751 63.689 0.062 19710 5788 1 18 . 1 1 35 35 THR CB C 35 68.542 68.542 68.023 0.519 19710 5789 1 18 . 1 1 35 35 THR H H 35 7.788 7.788 8.258 -0.470 19710 5790 1 18 . 1 1 36 36 GLU N N 36 120.073 120.073 119.741 0.332 19710 5791 1 18 . 1 1 36 36 GLU HA H 36 4.386 4.386 3.931 0.455 19710 5792 1 18 . 1 1 36 36 GLU C C 36 175.013 175.013 176.524 -1.511 19710 5793 1 18 . 1 1 36 36 GLU CA C 36 55.865 55.865 57.009 -1.144 19710 5794 1 18 . 1 1 36 36 GLU CB C 36 29.794 29.794 29.516 0.278 19710 5795 1 18 . 1 1 36 36 GLU H H 36 7.825 7.825 7.642 0.183 19710 5796 1 18 . 1 1 37 37 ASP N N 37 121.647 121.647 121.571 0.076 19710 5797 1 18 . 1 1 37 37 ASP HA H 37 5.075 5.075 4.422 0.653 19710 5798 1 18 . 1 1 37 37 ASP C C 37 178.071 178.071 175.629 2.442 19710 5799 1 18 . 1 1 37 37 ASP CA C 37 55.606 55.606 54.532 1.074 19710 5800 1 18 . 1 1 37 37 ASP CB C 37 39.712 39.712 40.234 -0.522 19710 5801 1 18 . 1 1 37 37 ASP H H 37 7.386 7.386 7.533 -0.147 19710 5802 1 18 . 1 1 38 38 THR N N 38 111.963 111.963 116.662 -4.699 19710 5803 1 18 . 1 1 38 38 THR HA H 38 4.675 4.675 4.177 0.498 19710 5804 1 18 . 1 1 38 38 THR C C 38 173.399 173.399 172.929 0.470 19710 5805 1 18 . 1 1 38 38 THR CA C 38 59.483 59.483 59.812 -0.329 19710 5806 1 18 . 1 1 38 38 THR CB C 38 71.810 71.810 70.491 1.319 19710 5807 1 18 . 1 1 38 38 THR H H 38 7.821 7.821 8.299 -0.478 19710 5808 1 18 . 1 1 39 39 TRP N N 39 123.340 123.340 125.930 -2.590 19710 5809 1 18 . 1 1 39 39 TRP HA H 39 4.835 4.835 5.180 -0.345 19710 5810 1 18 . 1 1 39 39 TRP C C 39 177.090 177.090 175.482 1.608 19710 5811 1 18 . 1 1 39 39 TRP CA C 39 56.443 56.443 53.646 2.797 19710 5812 1 18 . 1 1 39 39 TRP CB C 39 29.574 29.574 27.919 1.655 19710 5813 1 18 . 1 1 39 39 TRP H H 39 8.546 8.546 8.019 0.527 19710 5814 1 18 . 1 1 40 40 GLU N N 40 124.822 124.822 124.049 0.773 19710 5815 1 18 . 1 1 40 40 GLU HA H 40 5.196 5.196 4.755 0.441 19710 5816 1 18 . 1 1 40 40 GLU CA C 40 51.859 51.859 53.522 -1.663 19710 5817 1 18 . 1 1 40 40 GLU CB C 40 31.934 31.934 30.489 1.445 19710 5818 1 18 . 1 1 40 40 GLU H H 40 9.710 9.710 8.524 1.186 19710 5819 1 18 . 1 1 41 41 PRO HA H 41 4.783 4.783 4.832 -0.049 19710 5820 1 18 . 1 1 41 41 PRO C C 41 178.201 178.201 178.212 -0.011 19710 5821 1 18 . 1 1 41 41 PRO CA C 41 62.030 62.030 63.024 -0.994 19710 5822 1 18 . 1 1 41 41 PRO CB C 41 32.833 32.833 32.909 -0.076 19710 5823 1 18 . 1 1 42 42 GLU N N 42 118.959 118.959 124.297 -5.338 19710 5824 1 18 . 1 1 42 42 GLU HA H 42 3.984 3.984 3.942 0.042 19710 5825 1 18 . 1 1 42 42 GLU C C 42 177.841 177.841 178.692 -0.851 19710 5826 1 18 . 1 1 42 42 GLU CA C 42 60.156 60.156 59.557 0.599 19710 5827 1 18 . 1 1 42 42 GLU CB C 42 30.554 30.554 29.662 0.892 19710 5828 1 18 . 1 1 42 42 GLU H H 42 8.531 8.531 8.663 -0.132 19710 5829 1 18 . 1 1 43 43 HIS N N 43 113.679 113.679 115.277 -1.598 19710 5830 1 18 . 1 1 43 43 HIS HA H 43 4.592 4.592 4.336 0.256 19710 5831 1 18 . 1 1 43 43 HIS C C 43 176.547 176.547 175.984 0.563 19710 5832 1 18 . 1 1 43 43 HIS CA C 43 58.187 58.187 58.110 0.077 19710 5833 1 18 . 1 1 43 43 HIS CB C 43 29.362 29.362 29.596 -0.234 19710 5834 1 18 . 1 1 43 43 HIS H H 43 7.998 7.998 8.470 -0.472 19710 5835 1 18 . 1 1 44 44 HIS N N 44 119.428 119.428 115.311 4.117 19710 5836 1 18 . 1 1 44 44 HIS HA H 44 4.886 4.886 4.812 0.074 19710 5837 1 18 . 1 1 44 44 HIS C C 44 175.566 175.566 174.670 0.896 19710 5838 1 18 . 1 1 44 44 HIS CA C 44 55.392 55.392 55.564 -0.172 19710 5839 1 18 . 1 1 44 44 HIS CB C 44 30.049 30.049 31.326 -1.277 19710 5840 1 18 . 1 1 44 44 HIS H H 44 7.755 7.755 7.887 -0.132 19710 5841 1 18 . 1 1 45 45 LEU N N 45 119.789 119.789 119.232 0.557 19710 5842 1 18 . 1 1 45 45 LEU HA H 45 4.580 4.580 4.293 0.287 19710 5843 1 18 . 1 1 45 45 LEU C C 45 176.926 176.926 175.690 1.236 19710 5844 1 18 . 1 1 45 45 LEU CA C 45 53.930 53.930 57.223 -3.293 19710 5845 1 18 . 1 1 45 45 LEU CB C 45 42.010 42.010 42.858 -0.848 19710 5846 1 18 . 1 1 45 45 LEU H H 45 7.601 7.601 7.449 0.152 19710 5847 1 18 . 1 1 46 46 LEU N N 46 121.462 121.462 113.860 7.602 19710 5848 1 18 . 1 1 46 46 LEU HA H 46 4.100 4.100 4.471 -0.371 19710 5849 1 18 . 1 1 46 46 LEU CA C 46 56.925 56.925 53.745 3.179 19710 5850 1 18 . 1 1 46 46 LEU CB C 46 41.703 41.703 44.909 -3.206 19710 5851 1 18 . 1 1 46 46 LEU H H 46 7.696 7.696 7.611 0.085 19710 5852 1 18 . 1 1 47 47 HIS HA H 47 4.742 4.742 4.560 0.182 19710 5853 1 18 . 1 1 47 47 HIS C C 47 175.940 175.940 174.755 1.185 19710 5854 1 18 . 1 1 47 47 HIS CA C 47 56.483 56.483 56.670 -0.187 19710 5855 1 18 . 1 1 47 47 HIS CB C 47 29.209 29.209 30.317 -1.108 19710 5856 1 18 . 1 1 48 48 CYS N N 48 118.214 118.214 118.808 -0.594 19710 5857 1 18 . 1 1 48 48 CYS HA H 48 4.902 4.902 4.410 0.492 19710 5858 1 18 . 1 1 48 48 CYS C C 48 174.988 174.988 175.597 -0.609 19710 5859 1 18 . 1 1 48 48 CYS CA C 48 57.439 57.439 57.822 -0.383 19710 5860 1 18 . 1 1 48 48 CYS CB C 48 28.038 28.038 31.112 -3.074 19710 5861 1 18 . 1 1 48 48 CYS H H 48 7.823 7.823 7.404 0.419 19710 5862 1 18 . 1 1 49 49 GLU N N 49 122.478 122.478 121.976 0.502 19710 5863 1 18 . 1 1 49 49 GLU HA H 49 3.718 3.718 4.104 -0.386 19710 5864 1 18 . 1 1 49 49 GLU C C 49 177.607 177.607 177.451 0.156 19710 5865 1 18 . 1 1 49 49 GLU CA C 49 60.496 60.496 58.349 2.147 19710 5866 1 18 . 1 1 49 49 GLU CB C 49 29.391 29.391 29.804 -0.413 19710 5867 1 18 . 1 1 49 49 GLU H H 49 8.524 8.524 8.786 -0.262 19710 5868 1 18 . 1 1 50 50 GLU N N 50 118.424 118.424 118.868 -0.444 19710 5869 1 18 . 1 1 50 50 GLU HA H 50 4.035 4.035 4.005 0.030 19710 5870 1 18 . 1 1 50 50 GLU C C 50 178.942 178.942 178.709 0.233 19710 5871 1 18 . 1 1 50 50 GLU CA C 50 59.341 59.341 59.215 0.126 19710 5872 1 18 . 1 1 50 50 GLU CB C 50 28.492 28.492 29.232 -0.740 19710 5873 1 18 . 1 1 50 50 GLU H H 50 9.192 9.192 8.715 0.477 19710 5874 1 18 . 1 1 51 51 PHE N N 51 117.631 117.631 117.055 0.576 19710 5875 1 18 . 1 1 51 51 PHE HA H 51 4.345 4.345 4.586 -0.241 19710 5876 1 18 . 1 1 51 51 PHE C C 51 179.013 179.013 178.256 0.757 19710 5877 1 18 . 1 1 51 51 PHE CA C 51 59.916 59.916 60.903 -0.987 19710 5878 1 18 . 1 1 51 51 PHE CB C 51 38.425 38.425 38.583 -0.158 19710 5879 1 18 . 1 1 51 51 PHE H H 51 7.350 7.350 8.091 -0.741 19710 5880 1 18 . 1 1 52 52 ILE N N 52 123.512 123.512 119.619 3.893 19710 5881 1 18 . 1 1 52 52 ILE HA H 52 3.260 3.260 3.859 -0.599 19710 5882 1 18 . 1 1 52 52 ILE C C 52 177.036 177.036 178.017 -0.981 19710 5883 1 18 . 1 1 52 52 ILE CA C 52 65.356 65.356 64.578 0.778 19710 5884 1 18 . 1 1 52 52 ILE CB C 52 38.172 38.172 37.456 0.716 19710 5885 1 18 . 1 1 52 52 ILE H H 52 7.625 7.625 7.374 0.251 19710 5886 1 18 . 1 1 53 53 ASP N N 53 120.257 120.257 120.230 0.027 19710 5887 1 18 . 1 1 53 53 ASP HA H 53 4.302 4.302 4.371 -0.069 19710 5888 1 18 . 1 1 53 53 ASP C C 53 179.243 179.243 178.534 0.709 19710 5889 1 18 . 1 1 53 53 ASP CA C 53 57.343 57.343 57.926 -0.583 19710 5890 1 18 . 1 1 53 53 ASP CB C 53 40.085 40.085 41.039 -0.954 19710 5891 1 18 . 1 1 53 53 ASP H H 53 8.144 8.144 8.133 0.011 19710 5892 1 18 . 1 1 54 54 GLU N N 54 119.707 119.707 119.161 0.546 19710 5893 1 18 . 1 1 54 54 GLU HA H 54 3.944 3.944 4.078 -0.134 19710 5894 1 18 . 1 1 54 54 GLU C C 54 178.652 178.652 178.671 -0.019 19710 5895 1 18 . 1 1 54 54 GLU CA C 54 59.071 59.071 58.581 0.490 19710 5896 1 18 . 1 1 54 54 GLU CB C 54 29.765 29.765 29.103 0.662 19710 5897 1 18 . 1 1 54 54 GLU H H 54 7.875 7.875 7.839 0.036 19710 5898 1 18 . 1 1 55 55 PHE N N 55 120.573 120.573 122.413 -1.840 19710 5899 1 18 . 1 1 55 55 PHE HA H 55 4.138 4.138 4.265 -0.127 19710 5900 1 18 . 1 1 55 55 PHE C C 55 177.460 177.460 176.869 0.591 19710 5901 1 18 . 1 1 55 55 PHE CA C 55 61.425 61.425 60.458 0.967 19710 5902 1 18 . 1 1 55 55 PHE CB C 55 39.347 39.347 39.271 0.076 19710 5903 1 18 . 1 1 55 55 PHE H H 55 7.784 7.784 8.254 -0.470 19710 5904 1 18 . 1 1 56 56 ASN N N 56 117.284 117.284 117.653 -0.369 19710 5905 1 18 . 1 1 56 56 ASN HA H 56 4.349 4.349 4.222 0.127 19710 5906 1 18 . 1 1 56 56 ASN C C 56 177.227 177.227 177.943 -0.716 19710 5907 1 18 . 1 1 56 56 ASN CA C 56 54.592 54.592 55.443 -0.851 19710 5908 1 18 . 1 1 56 56 ASN CB C 56 37.947 37.947 38.120 -0.173 19710 5909 1 18 . 1 1 56 56 ASN H H 56 8.563 8.563 8.037 0.526 19710 5910 1 18 . 1 1 57 57 GLY N N 57 107.640 107.640 107.728 -0.088 19710 5911 1 18 . 1 1 57 57 GLY C C 57 174.906 174.906 175.602 -0.696 19710 5912 1 18 . 1 1 57 57 GLY CA C 57 46.079 46.079 47.220 -1.141 19710 5913 1 18 . 1 1 57 57 GLY H H 57 7.890 7.890 7.850 0.040 19710 5914 1 18 . 1 1 58 58 LEU N N 58 120.735 120.735 115.895 4.840 19710 5915 1 18 . 1 1 58 58 LEU HA H 58 4.110 4.110 4.594 -0.484 19710 5916 1 18 . 1 1 58 58 LEU C C 58 177.607 177.607 177.172 0.435 19710 5917 1 18 . 1 1 58 58 LEU CA C 58 55.836 55.836 56.762 -0.926 19710 5918 1 18 . 1 1 58 58 LEU CB C 58 42.340 42.340 41.950 0.390 19710 5919 1 18 . 1 1 58 58 LEU H H 58 7.528 7.528 7.679 -0.151 19710 5920 1 18 . 1 1 59 59 HIS N N 59 118.359 118.359 117.639 0.720 19710 5921 1 18 . 1 1 59 59 HIS HA H 59 4.417 4.417 4.722 -0.305 19710 5922 1 18 . 1 1 59 59 HIS C C 59 175.499 175.499 175.115 0.384 19710 5923 1 18 . 1 1 59 59 HIS CA C 59 56.604 56.604 56.957 -0.353 19710 5924 1 18 . 1 1 59 59 HIS CB C 59 30.480 30.480 31.981 -1.501 19710 5925 1 18 . 1 1 59 59 HIS H H 59 7.875 7.875 7.814 0.061 19710 5926 1 18 . 1 1 60 60 MET N N 60 120.255 120.255 118.247 2.008 19710 5927 1 18 . 1 1 60 60 MET HA H 60 4.365 4.365 4.657 -0.292 19710 5928 1 18 . 1 1 60 60 MET CA C 60 55.643 55.643 54.895 0.748 19710 5929 1 18 . 1 1 60 60 MET CB C 60 32.684 32.684 34.722 -2.038 19710 5930 1 18 . 1 1 60 60 MET H H 60 7.884 7.884 7.719 0.165 19710 5931 1 18 . 1 1 62 62 LYS HA H 62 4.301 4.301 3.932 0.369 19710 5932 1 18 . 1 1 62 62 LYS C C 62 176.168 176.168 175.412 0.756 19710 5933 1 18 . 1 1 62 62 LYS CA C 62 56.312 56.312 58.167 -1.855 19710 5934 1 18 . 1 1 62 62 LYS CB C 62 32.975 32.975 31.199 1.776 19710 5935 1 18 . 1 1 63 63 ASP N N 63 121.259 121.259 120.497 0.762 19710 5936 1 18 . 1 1 63 63 ASP HA H 63 4.540 4.540 4.736 -0.196 19710 5937 1 18 . 1 1 63 63 ASP C C 63 175.024 175.024 174.744 0.280 19710 5938 1 18 . 1 1 63 63 ASP CA C 63 54.569 54.569 53.953 0.616 19710 5939 1 18 . 1 1 63 63 ASP CB C 63 41.120 41.120 43.016 -1.896 19710 5940 1 18 . 1 1 63 63 ASP H H 63 8.263 8.263 7.723 0.540 19710 5941 1 19 . 1 1 2 2 ALA HA H 2 4.257 4.257 4.476 -0.219 19710 5942 1 19 . 1 1 2 2 ALA CA C 2 52.527 52.527 52.425 0.102 19710 5943 1 19 . 1 1 2 2 ALA CB C 2 19.363 19.363 18.555 0.808 19710 5944 1 19 . 1 1 4 4 GLY C C 4 173.756 173.756 174.064 -0.308 19710 5945 1 19 . 1 1 4 4 GLY CA C 4 45.291 45.291 44.543 0.748 19710 5946 1 19 . 1 1 5 5 ASP N N 5 120.203 120.203 123.293 -3.090 19710 5947 1 19 . 1 1 5 5 ASP HA H 5 4.451 4.451 4.583 -0.132 19710 5948 1 19 . 1 1 5 5 ASP C C 5 175.671 175.671 174.817 0.854 19710 5949 1 19 . 1 1 5 5 ASP CA C 5 54.422 54.422 53.687 0.735 19710 5950 1 19 . 1 1 5 5 ASP CB C 5 41.179 41.179 40.134 1.045 19710 5951 1 19 . 1 1 5 5 ASP H H 5 8.028 8.028 8.454 -0.426 19710 5952 1 19 . 1 1 6 6 LEU N N 6 121.200 121.200 122.239 -1.039 19710 5953 1 19 . 1 1 6 6 LEU HA H 6 4.135 4.135 4.365 -0.230 19710 5954 1 19 . 1 1 6 6 LEU C C 6 176.638 176.638 176.211 0.427 19710 5955 1 19 . 1 1 6 6 LEU CA C 6 55.097 55.097 53.629 1.468 19710 5956 1 19 . 1 1 6 6 LEU CB C 6 42.364 42.364 41.660 0.704 19710 5957 1 19 . 1 1 6 6 LEU H H 6 7.873 7.873 7.293 0.580 19710 5958 1 19 . 1 1 7 7 TYR N N 7 121.938 121.938 121.982 -0.044 19710 5959 1 19 . 1 1 7 7 TYR HA H 7 4.631 4.631 4.366 0.265 19710 5960 1 19 . 1 1 7 7 TYR C C 7 175.047 175.047 176.512 -1.465 19710 5961 1 19 . 1 1 7 7 TYR CA C 7 57.261 57.261 58.280 -1.019 19710 5962 1 19 . 1 1 7 7 TYR CB C 7 38.921 38.921 38.980 -0.059 19710 5963 1 19 . 1 1 7 7 TYR H H 7 8.011 8.011 8.015 -0.004 19710 5964 1 19 . 1 1 8 8 GLU N N 8 122.393 122.393 117.708 4.685 19710 5965 1 19 . 1 1 8 8 GLU HA H 8 4.769 4.769 4.654 0.115 19710 5966 1 19 . 1 1 8 8 GLU C C 8 175.583 175.583 174.713 0.870 19710 5967 1 19 . 1 1 8 8 GLU CA C 8 54.988 54.988 55.649 -0.661 19710 5968 1 19 . 1 1 8 8 GLU CB C 8 32.551 32.551 32.223 0.328 19710 5969 1 19 . 1 1 8 8 GLU H H 8 9.047 9.047 8.458 0.589 19710 5970 1 19 . 1 1 9 9 VAL N N 9 126.546 126.546 123.486 3.060 19710 5971 1 19 . 1 1 9 9 VAL HA H 9 3.092 3.092 4.345 -1.253 19710 5972 1 19 . 1 1 9 9 VAL C C 9 175.170 175.170 174.785 0.385 19710 5973 1 19 . 1 1 9 9 VAL CA C 9 64.309 64.309 61.978 2.331 19710 5974 1 19 . 1 1 9 9 VAL CB C 9 32.983 32.983 33.145 -0.162 19710 5975 1 19 . 1 1 9 9 VAL H H 9 8.677 8.677 8.503 0.174 19710 5976 1 19 . 1 1 10 10 GLU N N 10 126.674 126.674 128.094 -1.420 19710 5977 1 19 . 1 1 10 10 GLU HA H 10 4.234 4.234 4.342 -0.108 19710 5978 1 19 . 1 1 10 10 GLU C C 10 175.505 175.505 176.597 -1.092 19710 5979 1 19 . 1 1 10 10 GLU CA C 10 57.459 57.459 58.579 -1.120 19710 5980 1 19 . 1 1 10 10 GLU CB C 10 31.296 31.296 31.015 0.281 19710 5981 1 19 . 1 1 10 10 GLU H H 10 9.120 9.120 8.715 0.405 19710 5982 1 19 . 1 1 11 11 ARG N N 11 111.321 111.321 112.171 -0.850 19710 5983 1 19 . 1 1 11 11 ARG HA H 11 4.115 4.115 4.771 -0.656 19710 5984 1 19 . 1 1 11 11 ARG C C 11 172.330 172.330 174.537 -2.207 19710 5985 1 19 . 1 1 11 11 ARG CA C 11 54.723 54.723 55.291 -0.568 19710 5986 1 19 . 1 1 11 11 ARG CB C 11 32.309 32.309 32.422 -0.114 19710 5987 1 19 . 1 1 11 11 ARG H H 11 7.476 7.476 7.765 -0.289 19710 5988 1 19 . 1 1 12 12 ILE N N 12 120.610 120.610 120.017 0.593 19710 5989 1 19 . 1 1 12 12 ILE HA H 12 4.085 4.085 4.261 -0.176 19710 5990 1 19 . 1 1 12 12 ILE C C 12 175.353 175.353 176.410 -1.057 19710 5991 1 19 . 1 1 12 12 ILE CA C 12 60.515 60.515 61.931 -1.416 19710 5992 1 19 . 1 1 12 12 ILE CB C 12 38.338 38.338 38.268 0.070 19710 5993 1 19 . 1 1 12 12 ILE H H 12 8.295 8.295 8.478 -0.183 19710 5994 1 19 . 1 1 13 13 VAL N N 13 122.026 122.026 126.803 -4.777 19710 5995 1 19 . 1 1 13 13 VAL HA H 13 4.047 4.047 3.951 0.096 19710 5996 1 19 . 1 1 13 13 VAL C C 13 175.311 175.311 176.244 -0.933 19710 5997 1 19 . 1 1 13 13 VAL CA C 13 62.460 62.460 65.374 -2.914 19710 5998 1 19 . 1 1 13 13 VAL CB C 13 33.344 33.344 32.502 0.842 19710 5999 1 19 . 1 1 13 13 VAL H H 13 8.939 8.939 8.756 0.183 19710 6000 1 19 . 1 1 14 14 ASP N N 14 117.407 117.407 115.257 2.150 19710 6001 1 19 . 1 1 14 14 ASP HA H 14 4.776 4.776 5.104 -0.328 19710 6002 1 19 . 1 1 14 14 ASP C C 14 173.374 173.374 173.426 -0.052 19710 6003 1 19 . 1 1 14 14 ASP CA C 14 53.034 53.034 53.763 -0.729 19710 6004 1 19 . 1 1 14 14 ASP CB C 14 43.749 43.749 43.285 0.464 19710 6005 1 19 . 1 1 14 14 ASP H H 14 7.236 7.236 7.868 -0.632 19710 6006 1 19 . 1 1 15 15 LYS N N 15 118.628 118.628 118.349 0.279 19710 6007 1 19 . 1 1 15 15 LYS HA H 15 5.517 5.517 4.315 1.202 19710 6008 1 19 . 1 1 15 15 LYS C C 15 173.885 173.885 175.226 -1.341 19710 6009 1 19 . 1 1 15 15 LYS CA C 15 55.716 55.716 54.886 0.830 19710 6010 1 19 . 1 1 15 15 LYS CB C 15 37.575 37.575 34.141 3.434 19710 6011 1 19 . 1 1 15 15 LYS H H 15 9.430 9.430 8.339 1.091 19710 6012 1 19 . 1 1 16 16 ARG N N 16 120.175 120.175 117.054 3.121 19710 6013 1 19 . 1 1 16 16 ARG HA H 16 4.872 4.872 4.492 0.380 19710 6014 1 19 . 1 1 16 16 ARG C C 16 172.365 172.365 173.558 -1.193 19710 6015 1 19 . 1 1 16 16 ARG CA C 16 54.680 54.680 54.804 -0.124 19710 6016 1 19 . 1 1 16 16 ARG CB C 16 32.460 32.460 32.332 0.128 19710 6017 1 19 . 1 1 16 16 ARG H H 16 9.326 9.326 8.419 0.907 19710 6018 1 19 . 1 1 17 17 LYS N N 17 122.374 122.374 118.988 3.386 19710 6019 1 19 . 1 1 17 17 LYS HA H 17 4.306 4.306 4.913 -0.607 19710 6020 1 19 . 1 1 17 17 LYS C C 17 176.978 176.978 176.111 0.867 19710 6021 1 19 . 1 1 17 17 LYS CA C 17 54.557 54.557 54.079 0.478 19710 6022 1 19 . 1 1 17 17 LYS CB C 17 33.310 33.310 34.443 -1.133 19710 6023 1 19 . 1 1 17 17 LYS H H 17 8.480 8.480 8.248 0.232 19710 6024 1 19 . 1 1 18 18 ASN N N 18 123.092 123.092 123.000 0.092 19710 6025 1 19 . 1 1 18 18 ASN HA H 18 4.482 4.482 4.573 -0.091 19710 6026 1 19 . 1 1 18 18 ASN CA C 18 50.611 50.611 53.341 -2.730 19710 6027 1 19 . 1 1 18 18 ASN CB C 18 39.055 39.055 40.091 -1.036 19710 6028 1 19 . 1 1 18 18 ASN H H 18 8.736 8.736 8.393 0.343 19710 6029 1 19 . 1 1 19 19 LYS HA H 19 3.939 3.939 3.989 -0.050 19710 6030 1 19 . 1 1 19 19 LYS C C 19 177.548 177.548 177.035 0.513 19710 6031 1 19 . 1 1 19 19 LYS CA C 19 58.543 58.543 58.654 -0.111 19710 6032 1 19 . 1 1 19 19 LYS CB C 19 31.933 31.933 32.185 -0.252 19710 6033 1 19 . 1 1 20 20 LYS N N 20 117.362 117.362 118.944 -1.582 19710 6034 1 19 . 1 1 20 20 LYS HA H 20 4.262 4.262 4.280 -0.018 19710 6035 1 19 . 1 1 20 20 LYS C C 20 176.514 176.514 175.734 0.780 19710 6036 1 19 . 1 1 20 20 LYS CA C 20 55.489 55.489 55.579 -0.090 19710 6037 1 19 . 1 1 20 20 LYS CB C 20 32.105 32.105 32.399 -0.294 19710 6038 1 19 . 1 1 20 20 LYS H H 20 7.491 7.491 8.021 -0.530 19710 6039 1 19 . 1 1 21 21 GLY N N 21 107.275 107.275 108.567 -1.292 19710 6040 1 19 . 1 1 21 21 GLY C C 21 173.503 173.503 173.550 -0.047 19710 6041 1 19 . 1 1 21 21 GLY CA C 21 45.413 45.413 45.470 -0.057 19710 6042 1 19 . 1 1 21 21 GLY H H 21 7.966 7.966 7.777 0.189 19710 6043 1 19 . 1 1 22 22 LYS N N 22 119.753 119.753 118.677 1.076 19710 6044 1 19 . 1 1 22 22 LYS HA H 22 4.380 4.380 4.411 -0.031 19710 6045 1 19 . 1 1 22 22 LYS C C 22 175.319 175.319 176.477 -1.158 19710 6046 1 19 . 1 1 22 22 LYS CA C 22 53.197 53.197 54.922 -1.725 19710 6047 1 19 . 1 1 22 22 LYS CB C 22 33.531 33.531 33.415 0.116 19710 6048 1 19 . 1 1 22 22 LYS H H 22 7.457 7.457 7.779 -0.322 19710 6049 1 19 . 1 1 23 23 TRP N N 23 120.227 120.227 122.211 -1.984 19710 6050 1 19 . 1 1 23 23 TRP HA H 23 4.837 4.837 4.589 0.248 19710 6051 1 19 . 1 1 23 23 TRP C C 23 176.246 176.246 176.166 0.080 19710 6052 1 19 . 1 1 23 23 TRP CA C 23 57.338 57.338 58.129 -0.791 19710 6053 1 19 . 1 1 23 23 TRP CB C 23 31.142 31.142 29.431 1.711 19710 6054 1 19 . 1 1 23 23 TRP H H 23 8.564 8.564 8.809 -0.245 19710 6055 1 19 . 1 1 24 24 GLU N N 24 120.044 120.044 121.668 -1.624 19710 6056 1 19 . 1 1 24 24 GLU HA H 24 4.921 4.921 5.308 -0.387 19710 6057 1 19 . 1 1 24 24 GLU C C 24 174.505 174.505 175.384 -0.879 19710 6058 1 19 . 1 1 24 24 GLU CA C 24 54.223 54.223 54.707 -0.484 19710 6059 1 19 . 1 1 24 24 GLU CB C 24 33.711 33.711 34.445 -0.734 19710 6060 1 19 . 1 1 24 24 GLU H H 24 9.257 9.257 8.383 0.874 19710 6061 1 19 . 1 1 25 25 TYR N N 25 118.993 118.993 120.669 -1.676 19710 6062 1 19 . 1 1 25 25 TYR HA H 25 5.017 5.017 4.674 0.343 19710 6063 1 19 . 1 1 25 25 TYR C C 25 173.068 173.068 174.415 -1.347 19710 6064 1 19 . 1 1 25 25 TYR CA C 25 57.173 57.173 56.931 0.242 19710 6065 1 19 . 1 1 25 25 TYR CB C 25 41.873 41.873 41.962 -0.089 19710 6066 1 19 . 1 1 25 25 TYR H H 25 9.119 9.119 9.363 -0.244 19710 6067 1 19 . 1 1 26 26 LEU N N 26 128.028 128.028 125.693 2.335 19710 6068 1 19 . 1 1 26 26 LEU HA H 26 3.632 3.632 4.932 -1.300 19710 6069 1 19 . 1 1 26 26 LEU C C 26 173.813 173.813 175.530 -1.717 19710 6070 1 19 . 1 1 26 26 LEU CA C 26 53.371 53.371 55.057 -1.686 19710 6071 1 19 . 1 1 26 26 LEU CB C 26 39.946 39.946 42.699 -2.753 19710 6072 1 19 . 1 1 26 26 LEU H H 26 7.788 7.788 8.257 -0.469 19710 6073 1 19 . 1 1 27 27 ILE N N 27 130.050 130.050 125.787 4.263 19710 6074 1 19 . 1 1 27 27 ILE HA H 27 3.604 3.604 4.653 -1.049 19710 6075 1 19 . 1 1 27 27 ILE C C 27 173.398 173.398 174.509 -1.111 19710 6076 1 19 . 1 1 27 27 ILE CA C 27 58.760 58.760 58.172 0.588 19710 6077 1 19 . 1 1 27 27 ILE CB C 27 38.186 38.186 40.586 -2.400 19710 6078 1 19 . 1 1 27 27 ILE H H 27 8.752 8.752 9.149 -0.397 19710 6079 1 19 . 1 1 28 28 ARG N N 28 123.071 123.071 121.193 1.878 19710 6080 1 19 . 1 1 28 28 ARG HA H 28 4.474 4.474 4.916 -0.442 19710 6081 1 19 . 1 1 28 28 ARG C C 28 174.476 174.476 174.832 -0.356 19710 6082 1 19 . 1 1 28 28 ARG CA C 28 52.104 52.104 54.664 -2.560 19710 6083 1 19 . 1 1 28 28 ARG CB C 28 29.007 29.007 32.816 -3.809 19710 6084 1 19 . 1 1 28 28 ARG H H 28 7.453 7.453 8.681 -1.228 19710 6085 1 19 . 1 1 29 29 TRP N N 29 132.787 132.787 123.731 9.056 19710 6086 1 19 . 1 1 29 29 TRP HA H 29 4.731 4.731 5.140 -0.409 19710 6087 1 19 . 1 1 29 29 TRP C C 29 176.623 176.623 174.279 2.344 19710 6088 1 19 . 1 1 29 29 TRP CA C 29 55.653 55.653 54.108 1.545 19710 6089 1 19 . 1 1 29 29 TRP CB C 29 31.065 31.065 30.902 0.163 19710 6090 1 19 . 1 1 29 29 TRP H H 29 9.197 9.197 8.905 0.292 19710 6091 1 19 . 1 1 30 30 LYS N N 30 122.843 122.843 124.865 -2.022 19710 6092 1 19 . 1 1 30 30 LYS HA H 30 4.212 4.212 4.004 0.208 19710 6093 1 19 . 1 1 30 30 LYS C C 30 177.688 177.688 176.399 1.289 19710 6094 1 19 . 1 1 30 30 LYS CA C 30 58.203 58.203 56.581 1.622 19710 6095 1 19 . 1 1 30 30 LYS CB C 30 33.152 33.152 32.823 0.329 19710 6096 1 19 . 1 1 30 30 LYS H H 30 9.134 9.134 8.213 0.921 19710 6097 1 19 . 1 1 31 31 GLY N N 31 113.057 113.057 112.497 0.560 19710 6098 1 19 . 1 1 31 31 GLY C C 31 173.562 173.562 174.405 -0.843 19710 6099 1 19 . 1 1 31 31 GLY CA C 31 44.973 44.973 45.304 -0.331 19710 6100 1 19 . 1 1 31 31 GLY H H 31 8.646 8.646 8.452 0.194 19710 6101 1 19 . 1 1 32 32 TYR N N 32 119.993 119.993 121.805 -1.812 19710 6102 1 19 . 1 1 32 32 TYR HA H 32 4.620 4.620 4.657 -0.037 19710 6103 1 19 . 1 1 32 32 TYR C C 32 175.254 175.254 176.847 -1.593 19710 6104 1 19 . 1 1 32 32 TYR CA C 32 57.742 57.742 59.262 -1.520 19710 6105 1 19 . 1 1 32 32 TYR CB C 32 40.377 40.377 40.328 0.049 19710 6106 1 19 . 1 1 32 32 TYR H H 32 8.119 8.119 7.070 1.049 19710 6107 1 19 . 1 1 33 33 GLY N N 33 106.930 106.930 106.559 0.371 19710 6108 1 19 . 1 1 33 33 GLY CA C 33 44.052 44.052 45.514 -1.462 19710 6109 1 19 . 1 1 33 33 GLY H H 33 8.510 8.510 8.309 0.201 19710 6110 1 19 . 1 1 34 34 SER HA H 34 4.437 4.437 4.509 -0.072 19710 6111 1 19 . 1 1 34 34 SER C C 34 176.594 176.594 176.645 -0.051 19710 6112 1 19 . 1 1 34 34 SER CA C 34 60.033 60.033 61.323 -1.290 19710 6113 1 19 . 1 1 34 34 SER CB C 34 63.310 63.310 63.173 0.137 19710 6114 1 19 . 1 1 35 35 THR N N 35 113.722 113.722 115.486 -1.764 19710 6115 1 19 . 1 1 35 35 THR HA H 35 4.117 4.117 4.232 -0.115 19710 6116 1 19 . 1 1 35 35 THR C C 35 175.474 175.474 175.660 -0.186 19710 6117 1 19 . 1 1 35 35 THR CA C 35 63.751 63.751 64.352 -0.601 19710 6118 1 19 . 1 1 35 35 THR CB C 35 68.542 68.542 68.923 -0.381 19710 6119 1 19 . 1 1 35 35 THR H H 35 7.788 7.788 8.156 -0.368 19710 6120 1 19 . 1 1 36 36 GLU N N 36 120.073 120.073 120.744 -0.671 19710 6121 1 19 . 1 1 36 36 GLU HA H 36 4.386 4.386 4.350 0.036 19710 6122 1 19 . 1 1 36 36 GLU C C 36 175.013 175.013 176.344 -1.331 19710 6123 1 19 . 1 1 36 36 GLU CA C 36 55.865 55.865 57.228 -1.363 19710 6124 1 19 . 1 1 36 36 GLU CB C 36 29.794 29.794 30.289 -0.495 19710 6125 1 19 . 1 1 36 36 GLU H H 36 7.825 7.825 7.603 0.222 19710 6126 1 19 . 1 1 37 37 ASP N N 37 121.647 121.647 121.117 0.530 19710 6127 1 19 . 1 1 37 37 ASP HA H 37 5.075 5.075 4.492 0.583 19710 6128 1 19 . 1 1 37 37 ASP C C 37 178.071 178.071 176.298 1.773 19710 6129 1 19 . 1 1 37 37 ASP CA C 37 55.606 55.606 55.692 -0.086 19710 6130 1 19 . 1 1 37 37 ASP CB C 37 39.712 39.712 39.954 -0.242 19710 6131 1 19 . 1 1 37 37 ASP H H 37 7.386 7.386 8.016 -0.630 19710 6132 1 19 . 1 1 38 38 THR N N 38 111.963 111.963 115.737 -3.774 19710 6133 1 19 . 1 1 38 38 THR HA H 38 4.675 4.675 4.452 0.223 19710 6134 1 19 . 1 1 38 38 THR C C 38 173.399 173.399 172.734 0.665 19710 6135 1 19 . 1 1 38 38 THR CA C 38 59.483 59.483 59.886 -0.404 19710 6136 1 19 . 1 1 38 38 THR CB C 38 71.810 71.810 70.676 1.134 19710 6137 1 19 . 1 1 38 38 THR H H 38 7.821 7.821 8.721 -0.900 19710 6138 1 19 . 1 1 39 39 TRP N N 39 123.340 123.340 121.764 1.576 19710 6139 1 19 . 1 1 39 39 TRP HA H 39 4.835 4.835 5.409 -0.574 19710 6140 1 19 . 1 1 39 39 TRP C C 39 177.090 177.090 175.059 2.031 19710 6141 1 19 . 1 1 39 39 TRP CA C 39 56.443 56.443 54.722 1.721 19710 6142 1 19 . 1 1 39 39 TRP CB C 39 29.574 29.574 31.233 -1.659 19710 6143 1 19 . 1 1 39 39 TRP H H 39 8.546 8.546 7.818 0.728 19710 6144 1 19 . 1 1 40 40 GLU N N 40 124.822 124.822 123.190 1.632 19710 6145 1 19 . 1 1 40 40 GLU HA H 40 5.196 5.196 4.963 0.233 19710 6146 1 19 . 1 1 40 40 GLU CA C 40 51.859 51.859 52.665 -0.806 19710 6147 1 19 . 1 1 40 40 GLU CB C 40 31.934 31.934 32.161 -0.227 19710 6148 1 19 . 1 1 40 40 GLU H H 40 9.710 9.710 8.937 0.773 19710 6149 1 19 . 1 1 41 41 PRO HA H 41 4.783 4.783 4.959 -0.176 19710 6150 1 19 . 1 1 41 41 PRO C C 41 178.201 178.201 178.152 0.049 19710 6151 1 19 . 1 1 41 41 PRO CA C 41 62.030 62.030 62.889 -0.859 19710 6152 1 19 . 1 1 41 41 PRO CB C 41 32.833 32.833 32.772 0.062 19710 6153 1 19 . 1 1 42 42 GLU N N 42 118.959 118.959 124.345 -5.386 19710 6154 1 19 . 1 1 42 42 GLU HA H 42 3.984 3.984 3.996 -0.012 19710 6155 1 19 . 1 1 42 42 GLU C C 42 177.841 177.841 178.301 -0.460 19710 6156 1 19 . 1 1 42 42 GLU CA C 42 60.156 60.156 59.986 0.170 19710 6157 1 19 . 1 1 42 42 GLU CB C 42 30.554 30.554 30.076 0.478 19710 6158 1 19 . 1 1 42 42 GLU H H 42 8.531 8.531 8.719 -0.188 19710 6159 1 19 . 1 1 43 43 HIS N N 43 113.679 113.679 114.198 -0.519 19710 6160 1 19 . 1 1 43 43 HIS HA H 43 4.592 4.592 4.513 0.079 19710 6161 1 19 . 1 1 43 43 HIS C C 43 176.547 176.547 175.391 1.156 19710 6162 1 19 . 1 1 43 43 HIS CA C 43 58.187 58.187 57.419 0.768 19710 6163 1 19 . 1 1 43 43 HIS CB C 43 29.362 29.362 29.485 -0.123 19710 6164 1 19 . 1 1 43 43 HIS H H 43 7.998 7.998 8.713 -0.715 19710 6165 1 19 . 1 1 44 44 HIS N N 44 119.428 119.428 117.151 2.277 19710 6166 1 19 . 1 1 44 44 HIS HA H 44 4.886 4.886 4.710 0.176 19710 6167 1 19 . 1 1 44 44 HIS C C 44 175.566 175.566 175.367 0.199 19710 6168 1 19 . 1 1 44 44 HIS CA C 44 55.392 55.392 55.446 -0.054 19710 6169 1 19 . 1 1 44 44 HIS CB C 44 30.049 30.049 32.359 -2.310 19710 6170 1 19 . 1 1 44 44 HIS H H 44 7.755 7.755 7.626 0.129 19710 6171 1 19 . 1 1 45 45 LEU N N 45 119.789 119.789 119.628 0.161 19710 6172 1 19 . 1 1 45 45 LEU HA H 45 4.580 4.580 4.118 0.462 19710 6173 1 19 . 1 1 45 45 LEU C C 45 176.926 176.926 175.596 1.330 19710 6174 1 19 . 1 1 45 45 LEU CA C 45 53.930 53.930 57.151 -3.221 19710 6175 1 19 . 1 1 45 45 LEU CB C 45 42.010 42.010 42.593 -0.584 19710 6176 1 19 . 1 1 45 45 LEU H H 45 7.601 7.601 7.560 0.041 19710 6177 1 19 . 1 1 46 46 LEU N N 46 121.462 121.462 114.561 6.901 19710 6178 1 19 . 1 1 46 46 LEU HA H 46 4.100 4.100 4.407 -0.307 19710 6179 1 19 . 1 1 46 46 LEU CA C 46 56.925 56.925 53.542 3.383 19710 6180 1 19 . 1 1 46 46 LEU CB C 46 41.703 41.703 43.948 -2.245 19710 6181 1 19 . 1 1 46 46 LEU H H 46 7.696 7.696 7.501 0.195 19710 6182 1 19 . 1 1 47 47 HIS HA H 47 4.742 4.742 4.408 0.334 19710 6183 1 19 . 1 1 47 47 HIS C C 47 175.940 175.940 174.961 0.979 19710 6184 1 19 . 1 1 47 47 HIS CA C 47 56.483 56.483 57.784 -1.301 19710 6185 1 19 . 1 1 47 47 HIS CB C 47 29.209 29.209 30.436 -1.226 19710 6186 1 19 . 1 1 48 48 CYS N N 48 118.214 118.214 120.109 -1.895 19710 6187 1 19 . 1 1 48 48 CYS HA H 48 4.902 4.902 4.615 0.287 19710 6188 1 19 . 1 1 48 48 CYS C C 48 174.988 174.988 175.644 -0.656 19710 6189 1 19 . 1 1 48 48 CYS CA C 48 57.439 57.439 58.474 -1.035 19710 6190 1 19 . 1 1 48 48 CYS CB C 48 28.038 28.038 29.353 -1.315 19710 6191 1 19 . 1 1 48 48 CYS H H 48 7.823 7.823 8.077 -0.254 19710 6192 1 19 . 1 1 49 49 GLU N N 49 122.478 122.478 126.620 -4.142 19710 6193 1 19 . 1 1 49 49 GLU HA H 49 3.718 3.718 4.009 -0.291 19710 6194 1 19 . 1 1 49 49 GLU C C 49 177.607 177.607 177.448 0.159 19710 6195 1 19 . 1 1 49 49 GLU CA C 49 60.496 60.496 58.492 2.004 19710 6196 1 19 . 1 1 49 49 GLU CB C 49 29.391 29.391 29.445 -0.054 19710 6197 1 19 . 1 1 49 49 GLU H H 49 8.524 8.524 9.104 -0.580 19710 6198 1 19 . 1 1 50 50 GLU N N 50 118.424 118.424 118.033 0.391 19710 6199 1 19 . 1 1 50 50 GLU HA H 50 4.035 4.035 4.004 0.031 19710 6200 1 19 . 1 1 50 50 GLU C C 50 178.942 178.942 178.466 0.476 19710 6201 1 19 . 1 1 50 50 GLU CA C 50 59.341 59.341 58.764 0.577 19710 6202 1 19 . 1 1 50 50 GLU CB C 50 28.492 28.492 28.546 -0.054 19710 6203 1 19 . 1 1 50 50 GLU H H 50 9.192 9.192 8.789 0.403 19710 6204 1 19 . 1 1 51 51 PHE N N 51 117.631 117.631 118.214 -0.583 19710 6205 1 19 . 1 1 51 51 PHE HA H 51 4.345 4.345 4.285 0.060 19710 6206 1 19 . 1 1 51 51 PHE C C 51 179.013 179.013 177.812 1.201 19710 6207 1 19 . 1 1 51 51 PHE CA C 51 59.916 59.916 61.554 -1.638 19710 6208 1 19 . 1 1 51 51 PHE CB C 51 38.425 38.425 38.762 -0.337 19710 6209 1 19 . 1 1 51 51 PHE H H 51 7.350 7.350 7.540 -0.190 19710 6210 1 19 . 1 1 52 52 ILE N N 52 123.512 123.512 119.037 4.475 19710 6211 1 19 . 1 1 52 52 ILE HA H 52 3.260 3.260 3.735 -0.475 19710 6212 1 19 . 1 1 52 52 ILE C C 52 177.036 177.036 177.479 -0.443 19710 6213 1 19 . 1 1 52 52 ILE CA C 52 65.356 65.356 64.539 0.817 19710 6214 1 19 . 1 1 52 52 ILE CB C 52 38.172 38.172 37.256 0.916 19710 6215 1 19 . 1 1 52 52 ILE H H 52 7.625 7.625 7.553 0.072 19710 6216 1 19 . 1 1 53 53 ASP N N 53 120.257 120.257 120.314 -0.057 19710 6217 1 19 . 1 1 53 53 ASP HA H 53 4.302 4.302 4.340 -0.038 19710 6218 1 19 . 1 1 53 53 ASP C C 53 179.243 179.243 178.429 0.814 19710 6219 1 19 . 1 1 53 53 ASP CA C 53 57.343 57.343 57.953 -0.610 19710 6220 1 19 . 1 1 53 53 ASP CB C 53 40.085 40.085 41.054 -0.969 19710 6221 1 19 . 1 1 53 53 ASP H H 53 8.144 8.144 8.052 0.092 19710 6222 1 19 . 1 1 54 54 GLU N N 54 119.707 119.707 119.530 0.177 19710 6223 1 19 . 1 1 54 54 GLU HA H 54 3.944 3.944 4.099 -0.155 19710 6224 1 19 . 1 1 54 54 GLU C C 54 178.652 178.652 178.600 0.052 19710 6225 1 19 . 1 1 54 54 GLU CA C 54 59.071 59.071 58.577 0.494 19710 6226 1 19 . 1 1 54 54 GLU CB C 54 29.765 29.765 28.700 1.065 19710 6227 1 19 . 1 1 54 54 GLU H H 54 7.875 7.875 7.904 -0.029 19710 6228 1 19 . 1 1 55 55 PHE N N 55 120.573 120.573 122.013 -1.440 19710 6229 1 19 . 1 1 55 55 PHE HA H 55 4.138 4.138 4.274 -0.136 19710 6230 1 19 . 1 1 55 55 PHE C C 55 177.460 177.460 176.781 0.679 19710 6231 1 19 . 1 1 55 55 PHE CA C 55 61.425 61.425 60.669 0.756 19710 6232 1 19 . 1 1 55 55 PHE CB C 55 39.347 39.347 39.626 -0.279 19710 6233 1 19 . 1 1 55 55 PHE H H 55 7.784 7.784 7.984 -0.200 19710 6234 1 19 . 1 1 56 56 ASN N N 56 117.284 117.284 117.428 -0.144 19710 6235 1 19 . 1 1 56 56 ASN HA H 56 4.349 4.349 4.097 0.252 19710 6236 1 19 . 1 1 56 56 ASN C C 56 177.227 177.227 177.706 -0.479 19710 6237 1 19 . 1 1 56 56 ASN CA C 56 54.592 54.592 55.577 -0.985 19710 6238 1 19 . 1 1 56 56 ASN CB C 56 37.947 37.947 38.505 -0.558 19710 6239 1 19 . 1 1 56 56 ASN H H 56 8.563 8.563 8.152 0.411 19710 6240 1 19 . 1 1 57 57 GLY N N 57 107.640 107.640 108.224 -0.584 19710 6241 1 19 . 1 1 57 57 GLY C C 57 174.906 174.906 176.050 -1.144 19710 6242 1 19 . 1 1 57 57 GLY CA C 57 46.079 46.079 46.917 -0.838 19710 6243 1 19 . 1 1 57 57 GLY H H 57 7.890 7.890 7.829 0.061 19710 6244 1 19 . 1 1 58 58 LEU N N 58 120.735 120.735 117.844 2.891 19710 6245 1 19 . 1 1 58 58 LEU HA H 58 4.110 4.110 4.751 -0.641 19710 6246 1 19 . 1 1 58 58 LEU C C 58 177.607 177.607 177.446 0.161 19710 6247 1 19 . 1 1 58 58 LEU CA C 58 55.836 55.836 54.870 0.966 19710 6248 1 19 . 1 1 58 58 LEU CB C 58 42.340 42.340 40.529 1.811 19710 6249 1 19 . 1 1 58 58 LEU H H 58 7.528 7.528 7.517 0.011 19710 6250 1 19 . 1 1 59 59 HIS N N 59 118.359 118.359 117.884 0.475 19710 6251 1 19 . 1 1 59 59 HIS HA H 59 4.417 4.417 4.110 0.307 19710 6252 1 19 . 1 1 59 59 HIS C C 59 175.499 175.499 175.030 0.469 19710 6253 1 19 . 1 1 59 59 HIS CA C 59 56.604 56.604 57.603 -0.999 19710 6254 1 19 . 1 1 59 59 HIS CB C 59 30.480 30.480 29.507 0.973 19710 6255 1 19 . 1 1 59 59 HIS H H 59 7.875 7.875 7.806 0.069 19710 6256 1 19 . 1 1 60 60 MET N N 60 120.255 120.255 120.414 -0.159 19710 6257 1 19 . 1 1 60 60 MET HA H 60 4.365 4.365 4.433 -0.068 19710 6258 1 19 . 1 1 60 60 MET CA C 60 55.643 55.643 53.928 1.715 19710 6259 1 19 . 1 1 60 60 MET CB C 60 32.684 32.684 33.869 -1.185 19710 6260 1 19 . 1 1 60 60 MET H H 60 7.884 7.884 7.114 0.770 19710 6261 1 19 . 1 1 62 62 LYS HA H 62 4.301 4.301 4.445 -0.144 19710 6262 1 19 . 1 1 62 62 LYS C C 62 176.168 176.168 176.203 -0.035 19710 6263 1 19 . 1 1 62 62 LYS CA C 62 56.312 56.312 56.023 0.290 19710 6264 1 19 . 1 1 62 62 LYS CB C 62 32.975 32.975 33.087 -0.112 19710 6265 1 19 . 1 1 63 63 ASP N N 63 121.259 121.259 124.101 -2.842 19710 6266 1 19 . 1 1 63 63 ASP HA H 63 4.540 4.540 4.620 -0.080 19710 6267 1 19 . 1 1 63 63 ASP C C 63 175.024 175.024 176.858 -1.834 19710 6268 1 19 . 1 1 63 63 ASP CA C 63 54.569 54.569 55.389 -0.820 19710 6269 1 19 . 1 1 63 63 ASP CB C 63 41.120 41.120 41.648 -0.528 19710 6270 1 19 . 1 1 63 63 ASP H H 63 8.263 8.263 8.707 -0.444 19710 6271 1 20 . 1 1 2 2 ALA HA H 2 4.257 4.257 4.649 -0.392 19710 6272 1 20 . 1 1 2 2 ALA CA C 2 52.527 52.527 51.961 0.566 19710 6273 1 20 . 1 1 2 2 ALA CB C 2 19.363 19.363 20.006 -0.643 19710 6274 1 20 . 1 1 4 4 GLY C C 4 173.756 173.756 173.667 0.089 19710 6275 1 20 . 1 1 4 4 GLY CA C 4 45.291 45.291 44.569 0.722 19710 6276 1 20 . 1 1 5 5 ASP N N 5 120.203 120.203 119.294 0.909 19710 6277 1 20 . 1 1 5 5 ASP HA H 5 4.451 4.451 4.683 -0.232 19710 6278 1 20 . 1 1 5 5 ASP C C 5 175.671 175.671 177.252 -1.581 19710 6279 1 20 . 1 1 5 5 ASP CA C 5 54.422 54.422 54.907 -0.485 19710 6280 1 20 . 1 1 5 5 ASP CB C 5 41.179 41.179 41.306 -0.127 19710 6281 1 20 . 1 1 5 5 ASP H H 5 8.028 8.028 8.280 -0.252 19710 6282 1 20 . 1 1 6 6 LEU N N 6 121.200 121.200 121.949 -0.749 19710 6283 1 20 . 1 1 6 6 LEU HA H 6 4.135 4.135 4.808 -0.673 19710 6284 1 20 . 1 1 6 6 LEU C C 6 176.638 176.638 177.039 -0.401 19710 6285 1 20 . 1 1 6 6 LEU CA C 6 55.097 55.097 54.363 0.734 19710 6286 1 20 . 1 1 6 6 LEU CB C 6 42.364 42.364 40.501 1.863 19710 6287 1 20 . 1 1 6 6 LEU H H 6 7.873 7.873 7.940 -0.067 19710 6288 1 20 . 1 1 7 7 TYR N N 7 121.938 121.938 121.918 0.020 19710 6289 1 20 . 1 1 7 7 TYR HA H 7 4.631 4.631 4.255 0.376 19710 6290 1 20 . 1 1 7 7 TYR C C 7 175.047 175.047 176.373 -1.326 19710 6291 1 20 . 1 1 7 7 TYR CA C 7 57.261 57.261 61.416 -4.155 19710 6292 1 20 . 1 1 7 7 TYR CB C 7 38.921 38.921 39.331 -0.410 19710 6293 1 20 . 1 1 7 7 TYR H H 7 8.011 8.011 7.951 0.060 19710 6294 1 20 . 1 1 8 8 GLU N N 8 122.393 122.393 115.560 6.833 19710 6295 1 20 . 1 1 8 8 GLU HA H 8 4.769 4.769 4.580 0.189 19710 6296 1 20 . 1 1 8 8 GLU C C 8 175.583 175.583 174.802 0.781 19710 6297 1 20 . 1 1 8 8 GLU CA C 8 54.988 54.988 55.965 -0.977 19710 6298 1 20 . 1 1 8 8 GLU CB C 8 32.551 32.551 30.882 1.669 19710 6299 1 20 . 1 1 8 8 GLU H H 8 9.047 9.047 8.778 0.269 19710 6300 1 20 . 1 1 9 9 VAL N N 9 126.546 126.546 122.706 3.840 19710 6301 1 20 . 1 1 9 9 VAL HA H 9 3.092 3.092 3.610 -0.518 19710 6302 1 20 . 1 1 9 9 VAL C C 9 175.170 175.170 175.474 -0.304 19710 6303 1 20 . 1 1 9 9 VAL CA C 9 64.309 64.309 60.722 3.587 19710 6304 1 20 . 1 1 9 9 VAL CB C 9 32.983 32.983 31.875 1.108 19710 6305 1 20 . 1 1 9 9 VAL H H 9 8.677 8.677 8.053 0.624 19710 6306 1 20 . 1 1 10 10 GLU N N 10 126.674 126.674 128.377 -1.703 19710 6307 1 20 . 1 1 10 10 GLU HA H 10 4.234 4.234 4.316 -0.082 19710 6308 1 20 . 1 1 10 10 GLU C C 10 175.505 175.505 176.514 -1.009 19710 6309 1 20 . 1 1 10 10 GLU CA C 10 57.459 57.459 58.382 -0.923 19710 6310 1 20 . 1 1 10 10 GLU CB C 10 31.296 31.296 31.134 0.162 19710 6311 1 20 . 1 1 10 10 GLU H H 10 9.120 9.120 8.608 0.512 19710 6312 1 20 . 1 1 11 11 ARG N N 11 111.321 111.321 112.388 -1.067 19710 6313 1 20 . 1 1 11 11 ARG HA H 11 4.115 4.115 4.783 -0.668 19710 6314 1 20 . 1 1 11 11 ARG C C 11 172.330 172.330 174.093 -1.763 19710 6315 1 20 . 1 1 11 11 ARG CA C 11 54.723 54.723 55.161 -0.438 19710 6316 1 20 . 1 1 11 11 ARG CB C 11 32.309 32.309 31.790 0.519 19710 6317 1 20 . 1 1 11 11 ARG H H 11 7.476 7.476 7.671 -0.195 19710 6318 1 20 . 1 1 12 12 ILE N N 12 120.610 120.610 119.991 0.619 19710 6319 1 20 . 1 1 12 12 ILE HA H 12 4.085 4.085 4.090 -0.005 19710 6320 1 20 . 1 1 12 12 ILE C C 12 175.353 175.353 176.365 -1.012 19710 6321 1 20 . 1 1 12 12 ILE CA C 12 60.515 60.515 62.001 -1.486 19710 6322 1 20 . 1 1 12 12 ILE CB C 12 38.338 38.338 38.025 0.313 19710 6323 1 20 . 1 1 12 12 ILE H H 12 8.295 8.295 8.622 -0.327 19710 6324 1 20 . 1 1 13 13 VAL N N 13 122.026 122.026 128.151 -6.125 19710 6325 1 20 . 1 1 13 13 VAL HA H 13 4.047 4.047 3.936 0.111 19710 6326 1 20 . 1 1 13 13 VAL C C 13 175.311 175.311 176.036 -0.725 19710 6327 1 20 . 1 1 13 13 VAL CA C 13 62.460 62.460 65.164 -2.704 19710 6328 1 20 . 1 1 13 13 VAL CB C 13 33.344 33.344 32.659 0.685 19710 6329 1 20 . 1 1 13 13 VAL H H 13 8.939 8.939 8.818 0.121 19710 6330 1 20 . 1 1 14 14 ASP N N 14 117.407 117.407 114.006 3.401 19710 6331 1 20 . 1 1 14 14 ASP HA H 14 4.776 4.776 5.002 -0.226 19710 6332 1 20 . 1 1 14 14 ASP C C 14 173.374 173.374 173.574 -0.200 19710 6333 1 20 . 1 1 14 14 ASP CA C 14 53.034 53.034 53.668 -0.634 19710 6334 1 20 . 1 1 14 14 ASP CB C 14 43.749 43.749 43.263 0.486 19710 6335 1 20 . 1 1 14 14 ASP H H 14 7.236 7.236 7.912 -0.676 19710 6336 1 20 . 1 1 15 15 LYS N N 15 118.628 118.628 118.617 0.011 19710 6337 1 20 . 1 1 15 15 LYS HA H 15 5.517 5.517 4.384 1.133 19710 6338 1 20 . 1 1 15 15 LYS C C 15 173.885 173.885 174.920 -1.035 19710 6339 1 20 . 1 1 15 15 LYS CA C 15 55.716 55.716 54.818 0.898 19710 6340 1 20 . 1 1 15 15 LYS CB C 15 37.575 37.575 34.619 2.956 19710 6341 1 20 . 1 1 15 15 LYS H H 15 9.430 9.430 8.182 1.248 19710 6342 1 20 . 1 1 16 16 ARG N N 16 120.175 120.175 115.271 4.904 19710 6343 1 20 . 1 1 16 16 ARG HA H 16 4.872 4.872 4.432 0.440 19710 6344 1 20 . 1 1 16 16 ARG C C 16 172.365 172.365 173.404 -1.039 19710 6345 1 20 . 1 1 16 16 ARG CA C 16 54.680 54.680 55.074 -0.394 19710 6346 1 20 . 1 1 16 16 ARG CB C 16 32.460 32.460 31.988 0.472 19710 6347 1 20 . 1 1 16 16 ARG H H 16 9.326 9.326 8.775 0.551 19710 6348 1 20 . 1 1 17 17 LYS N N 17 122.374 122.374 120.392 1.982 19710 6349 1 20 . 1 1 17 17 LYS HA H 17 4.306 4.306 4.805 -0.499 19710 6350 1 20 . 1 1 17 17 LYS C C 17 176.978 176.978 176.013 0.965 19710 6351 1 20 . 1 1 17 17 LYS CA C 17 54.557 54.557 54.386 0.171 19710 6352 1 20 . 1 1 17 17 LYS CB C 17 33.310 33.310 34.136 -0.826 19710 6353 1 20 . 1 1 17 17 LYS H H 17 8.480 8.480 8.243 0.237 19710 6354 1 20 . 1 1 18 18 ASN N N 18 123.092 123.092 119.733 3.359 19710 6355 1 20 . 1 1 18 18 ASN HA H 18 4.482 4.482 4.942 -0.460 19710 6356 1 20 . 1 1 18 18 ASN CA C 18 50.611 50.611 51.776 -1.165 19710 6357 1 20 . 1 1 18 18 ASN CB C 18 39.055 39.055 41.197 -2.142 19710 6358 1 20 . 1 1 18 18 ASN H H 18 8.736 8.736 8.591 0.145 19710 6359 1 20 . 1 1 19 19 LYS HA H 19 3.939 3.939 4.093 -0.154 19710 6360 1 20 . 1 1 19 19 LYS C C 19 177.548 177.548 177.698 -0.150 19710 6361 1 20 . 1 1 19 19 LYS CA C 19 58.543 58.543 58.702 -0.159 19710 6362 1 20 . 1 1 19 19 LYS CB C 19 31.933 31.933 32.007 -0.074 19710 6363 1 20 . 1 1 20 20 LYS N N 20 117.362 117.362 117.577 -0.215 19710 6364 1 20 . 1 1 20 20 LYS HA H 20 4.262 4.262 4.378 -0.116 19710 6365 1 20 . 1 1 20 20 LYS C C 20 176.514 176.514 176.642 -0.128 19710 6366 1 20 . 1 1 20 20 LYS CA C 20 55.489 55.489 55.178 0.311 19710 6367 1 20 . 1 1 20 20 LYS CB C 20 32.105 32.105 32.095 0.010 19710 6368 1 20 . 1 1 20 20 LYS H H 20 7.491 7.491 8.137 -0.646 19710 6369 1 20 . 1 1 21 21 GLY N N 21 107.275 107.275 109.009 -1.734 19710 6370 1 20 . 1 1 21 21 GLY C C 21 173.503 173.503 174.188 -0.685 19710 6371 1 20 . 1 1 21 21 GLY CA C 21 45.413 45.413 45.958 -0.545 19710 6372 1 20 . 1 1 21 21 GLY H H 21 7.966 7.966 7.609 0.357 19710 6373 1 20 . 1 1 22 22 LYS N N 22 119.753 119.753 118.236 1.517 19710 6374 1 20 . 1 1 22 22 LYS HA H 22 4.380 4.380 4.526 -0.146 19710 6375 1 20 . 1 1 22 22 LYS C C 22 175.319 175.319 176.361 -1.042 19710 6376 1 20 . 1 1 22 22 LYS CA C 22 53.197 53.197 54.792 -1.595 19710 6377 1 20 . 1 1 22 22 LYS CB C 22 33.531 33.531 33.473 0.058 19710 6378 1 20 . 1 1 22 22 LYS H H 22 7.457 7.457 7.636 -0.179 19710 6379 1 20 . 1 1 23 23 TRP N N 23 120.227 120.227 121.507 -1.280 19710 6380 1 20 . 1 1 23 23 TRP HA H 23 4.837 4.837 4.901 -0.064 19710 6381 1 20 . 1 1 23 23 TRP C C 23 176.246 176.246 176.470 -0.224 19710 6382 1 20 . 1 1 23 23 TRP CA C 23 57.338 57.338 57.014 0.324 19710 6383 1 20 . 1 1 23 23 TRP CB C 23 31.142 31.142 28.928 2.214 19710 6384 1 20 . 1 1 23 23 TRP H H 23 8.564 8.564 9.042 -0.478 19710 6385 1 20 . 1 1 24 24 GLU N N 24 120.044 120.044 122.180 -2.136 19710 6386 1 20 . 1 1 24 24 GLU HA H 24 4.921 4.921 5.293 -0.372 19710 6387 1 20 . 1 1 24 24 GLU C C 24 174.505 174.505 175.509 -1.004 19710 6388 1 20 . 1 1 24 24 GLU CA C 24 54.223 54.223 54.984 -0.761 19710 6389 1 20 . 1 1 24 24 GLU CB C 24 33.711 33.711 33.944 -0.233 19710 6390 1 20 . 1 1 24 24 GLU H H 24 9.257 9.257 8.746 0.511 19710 6391 1 20 . 1 1 25 25 TYR N N 25 118.993 118.993 120.351 -1.358 19710 6392 1 20 . 1 1 25 25 TYR HA H 25 5.017 5.017 4.693 0.324 19710 6393 1 20 . 1 1 25 25 TYR C C 25 173.068 173.068 174.681 -1.613 19710 6394 1 20 . 1 1 25 25 TYR CA C 25 57.173 57.173 57.103 0.070 19710 6395 1 20 . 1 1 25 25 TYR CB C 25 41.873 41.873 41.027 0.846 19710 6396 1 20 . 1 1 25 25 TYR H H 25 9.119 9.119 9.294 -0.175 19710 6397 1 20 . 1 1 26 26 LEU N N 26 128.028 128.028 125.917 2.111 19710 6398 1 20 . 1 1 26 26 LEU HA H 26 3.632 3.632 4.634 -1.002 19710 6399 1 20 . 1 1 26 26 LEU C C 26 173.813 173.813 175.286 -1.473 19710 6400 1 20 . 1 1 26 26 LEU CA C 26 53.371 53.371 55.117 -1.746 19710 6401 1 20 . 1 1 26 26 LEU CB C 26 39.946 39.946 42.138 -2.192 19710 6402 1 20 . 1 1 26 26 LEU H H 26 7.788 7.788 8.266 -0.478 19710 6403 1 20 . 1 1 27 27 ILE N N 27 130.050 130.050 127.675 2.375 19710 6404 1 20 . 1 1 27 27 ILE HA H 27 3.604 3.604 4.447 -0.843 19710 6405 1 20 . 1 1 27 27 ILE C C 27 173.398 173.398 174.772 -1.374 19710 6406 1 20 . 1 1 27 27 ILE CA C 27 58.760 58.760 58.651 0.109 19710 6407 1 20 . 1 1 27 27 ILE CB C 27 38.186 38.186 39.139 -0.953 19710 6408 1 20 . 1 1 27 27 ILE H H 27 8.752 8.752 9.143 -0.391 19710 6409 1 20 . 1 1 28 28 ARG N N 28 123.071 123.071 122.056 1.015 19710 6410 1 20 . 1 1 28 28 ARG HA H 28 4.474 4.474 4.991 -0.517 19710 6411 1 20 . 1 1 28 28 ARG C C 28 174.476 174.476 174.633 -0.157 19710 6412 1 20 . 1 1 28 28 ARG CA C 28 52.104 52.104 54.553 -2.449 19710 6413 1 20 . 1 1 28 28 ARG CB C 28 29.007 29.007 32.330 -3.323 19710 6414 1 20 . 1 1 28 28 ARG H H 28 7.453 7.453 8.432 -0.979 19710 6415 1 20 . 1 1 29 29 TRP N N 29 132.787 132.787 122.544 10.243 19710 6416 1 20 . 1 1 29 29 TRP HA H 29 4.731 4.731 5.129 -0.398 19710 6417 1 20 . 1 1 29 29 TRP C C 29 176.623 176.623 176.047 0.576 19710 6418 1 20 . 1 1 29 29 TRP CA C 29 55.653 55.653 55.504 0.149 19710 6419 1 20 . 1 1 29 29 TRP CB C 29 31.065 31.065 31.808 -0.743 19710 6420 1 20 . 1 1 29 29 TRP H H 29 9.197 9.197 8.710 0.487 19710 6421 1 20 . 1 1 30 30 LYS N N 30 122.843 122.843 124.392 -1.549 19710 6422 1 20 . 1 1 30 30 LYS HA H 30 4.212 4.212 4.189 0.023 19710 6423 1 20 . 1 1 30 30 LYS C C 30 177.688 177.688 177.334 0.354 19710 6424 1 20 . 1 1 30 30 LYS CA C 30 58.203 58.203 57.794 0.409 19710 6425 1 20 . 1 1 30 30 LYS CB C 30 33.152 33.152 32.950 0.202 19710 6426 1 20 . 1 1 30 30 LYS H H 30 9.134 9.134 8.454 0.680 19710 6427 1 20 . 1 1 31 31 GLY N N 31 113.057 113.057 111.721 1.336 19710 6428 1 20 . 1 1 31 31 GLY C C 31 173.562 173.562 174.143 -0.581 19710 6429 1 20 . 1 1 31 31 GLY CA C 31 44.973 44.973 44.825 0.148 19710 6430 1 20 . 1 1 31 31 GLY H H 31 8.646 8.646 8.675 -0.029 19710 6431 1 20 . 1 1 32 32 TYR N N 32 119.993 119.993 120.597 -0.604 19710 6432 1 20 . 1 1 32 32 TYR HA H 32 4.620 4.620 4.812 -0.192 19710 6433 1 20 . 1 1 32 32 TYR C C 32 175.254 175.254 175.498 -0.244 19710 6434 1 20 . 1 1 32 32 TYR CA C 32 57.742 57.742 56.545 1.196 19710 6435 1 20 . 1 1 32 32 TYR CB C 32 40.377 40.377 40.120 0.257 19710 6436 1 20 . 1 1 32 32 TYR H H 32 8.119 8.119 7.620 0.499 19710 6437 1 20 . 1 1 33 33 GLY N N 33 106.930 106.930 107.824 -0.894 19710 6438 1 20 . 1 1 33 33 GLY CA C 33 44.052 44.052 44.767 -0.715 19710 6439 1 20 . 1 1 33 33 GLY H H 33 8.510 8.510 8.421 0.089 19710 6440 1 20 . 1 1 34 34 SER HA H 34 4.437 4.437 4.280 0.157 19710 6441 1 20 . 1 1 34 34 SER C C 34 176.594 176.594 177.054 -0.460 19710 6442 1 20 . 1 1 34 34 SER CA C 34 60.033 60.033 61.315 -1.282 19710 6443 1 20 . 1 1 34 34 SER CB C 34 63.310 63.310 62.831 0.479 19710 6444 1 20 . 1 1 35 35 THR N N 35 113.722 113.722 116.824 -3.102 19710 6445 1 20 . 1 1 35 35 THR HA H 35 4.117 4.117 4.110 0.007 19710 6446 1 20 . 1 1 35 35 THR C C 35 175.474 175.474 175.457 0.017 19710 6447 1 20 . 1 1 35 35 THR CA C 35 63.751 63.751 63.826 -0.075 19710 6448 1 20 . 1 1 35 35 THR CB C 35 68.542 68.542 68.358 0.184 19710 6449 1 20 . 1 1 35 35 THR H H 35 7.788 7.788 8.231 -0.443 19710 6450 1 20 . 1 1 36 36 GLU N N 36 120.073 120.073 119.412 0.661 19710 6451 1 20 . 1 1 36 36 GLU HA H 36 4.386 4.386 4.064 0.322 19710 6452 1 20 . 1 1 36 36 GLU C C 36 175.013 175.013 176.649 -1.636 19710 6453 1 20 . 1 1 36 36 GLU CA C 36 55.865 55.865 57.911 -2.046 19710 6454 1 20 . 1 1 36 36 GLU CB C 36 29.794 29.794 29.637 0.157 19710 6455 1 20 . 1 1 36 36 GLU H H 36 7.825 7.825 7.871 -0.046 19710 6456 1 20 . 1 1 37 37 ASP N N 37 121.647 121.647 123.180 -1.533 19710 6457 1 20 . 1 1 37 37 ASP HA H 37 5.075 5.075 4.949 0.126 19710 6458 1 20 . 1 1 37 37 ASP C C 37 178.071 178.071 175.817 2.254 19710 6459 1 20 . 1 1 37 37 ASP CA C 37 55.606 55.606 55.040 0.566 19710 6460 1 20 . 1 1 37 37 ASP CB C 37 39.712 39.712 39.315 0.398 19710 6461 1 20 . 1 1 37 37 ASP H H 37 7.386 7.386 7.678 -0.292 19710 6462 1 20 . 1 1 38 38 THR N N 38 111.963 111.963 117.413 -5.450 19710 6463 1 20 . 1 1 38 38 THR HA H 38 4.675 4.675 4.138 0.537 19710 6464 1 20 . 1 1 38 38 THR C C 38 173.399 173.399 173.116 0.283 19710 6465 1 20 . 1 1 38 38 THR CA C 38 59.483 59.483 59.581 -0.098 19710 6466 1 20 . 1 1 38 38 THR CB C 38 71.810 71.810 71.028 0.782 19710 6467 1 20 . 1 1 38 38 THR H H 38 7.821 7.821 8.533 -0.712 19710 6468 1 20 . 1 1 39 39 TRP N N 39 123.340 123.340 127.470 -4.130 19710 6469 1 20 . 1 1 39 39 TRP HA H 39 4.835 4.835 5.330 -0.495 19710 6470 1 20 . 1 1 39 39 TRP C C 39 177.090 177.090 175.838 1.252 19710 6471 1 20 . 1 1 39 39 TRP CA C 39 56.443 56.443 54.552 1.891 19710 6472 1 20 . 1 1 39 39 TRP CB C 39 29.574 29.574 28.406 1.168 19710 6473 1 20 . 1 1 39 39 TRP H H 39 8.546 8.546 7.568 0.978 19710 6474 1 20 . 1 1 40 40 GLU N N 40 124.822 124.822 124.382 0.440 19710 6475 1 20 . 1 1 40 40 GLU HA H 40 5.196 5.196 4.921 0.275 19710 6476 1 20 . 1 1 40 40 GLU CA C 40 51.859 51.859 52.965 -1.106 19710 6477 1 20 . 1 1 40 40 GLU CB C 40 31.934 31.934 30.879 1.055 19710 6478 1 20 . 1 1 40 40 GLU H H 40 9.710 9.710 8.503 1.207 19710 6479 1 20 . 1 1 41 41 PRO HA H 41 4.783 4.783 4.867 -0.084 19710 6480 1 20 . 1 1 41 41 PRO C C 41 178.201 178.201 178.250 -0.049 19710 6481 1 20 . 1 1 41 41 PRO CA C 41 62.030 62.030 63.063 -1.034 19710 6482 1 20 . 1 1 41 41 PRO CB C 41 32.833 32.833 32.879 -0.046 19710 6483 1 20 . 1 1 42 42 GLU N N 42 118.959 118.959 125.502 -6.543 19710 6484 1 20 . 1 1 42 42 GLU HA H 42 3.984 3.984 3.965 0.019 19710 6485 1 20 . 1 1 42 42 GLU C C 42 177.841 177.841 178.607 -0.766 19710 6486 1 20 . 1 1 42 42 GLU CA C 42 60.156 60.156 59.772 0.384 19710 6487 1 20 . 1 1 42 42 GLU CB C 42 30.554 30.554 29.721 0.833 19710 6488 1 20 . 1 1 42 42 GLU H H 42 8.531 8.531 8.671 -0.140 19710 6489 1 20 . 1 1 43 43 HIS N N 43 113.679 113.679 115.532 -1.853 19710 6490 1 20 . 1 1 43 43 HIS HA H 43 4.592 4.592 4.300 0.292 19710 6491 1 20 . 1 1 43 43 HIS C C 43 176.547 176.547 175.724 0.823 19710 6492 1 20 . 1 1 43 43 HIS CA C 43 58.187 58.187 58.072 0.115 19710 6493 1 20 . 1 1 43 43 HIS CB C 43 29.362 29.362 29.722 -0.360 19710 6494 1 20 . 1 1 43 43 HIS H H 43 7.998 7.998 8.483 -0.485 19710 6495 1 20 . 1 1 44 44 HIS N N 44 119.428 119.428 114.692 4.736 19710 6496 1 20 . 1 1 44 44 HIS HA H 44 4.886 4.886 4.688 0.198 19710 6497 1 20 . 1 1 44 44 HIS C C 44 175.566 175.566 175.069 0.497 19710 6498 1 20 . 1 1 44 44 HIS CA C 44 55.392 55.392 55.774 -0.382 19710 6499 1 20 . 1 1 44 44 HIS CB C 44 30.049 30.049 30.939 -0.890 19710 6500 1 20 . 1 1 44 44 HIS H H 44 7.755 7.755 7.579 0.176 19710 6501 1 20 . 1 1 45 45 LEU N N 45 119.789 119.789 119.026 0.763 19710 6502 1 20 . 1 1 45 45 LEU HA H 45 4.580 4.580 4.301 0.279 19710 6503 1 20 . 1 1 45 45 LEU C C 45 176.926 176.926 175.824 1.102 19710 6504 1 20 . 1 1 45 45 LEU CA C 45 53.930 53.930 57.299 -3.369 19710 6505 1 20 . 1 1 45 45 LEU CB C 45 42.010 42.010 42.964 -0.954 19710 6506 1 20 . 1 1 45 45 LEU H H 45 7.601 7.601 7.410 0.191 19710 6507 1 20 . 1 1 46 46 LEU N N 46 121.462 121.462 113.784 7.678 19710 6508 1 20 . 1 1 46 46 LEU HA H 46 4.100 4.100 4.410 -0.310 19710 6509 1 20 . 1 1 46 46 LEU CA C 46 56.925 56.925 54.333 2.592 19710 6510 1 20 . 1 1 46 46 LEU CB C 46 41.703 41.703 44.572 -2.869 19710 6511 1 20 . 1 1 46 46 LEU H H 46 7.696 7.696 7.429 0.267 19710 6512 1 20 . 1 1 47 47 HIS HA H 47 4.742 4.742 4.738 0.004 19710 6513 1 20 . 1 1 47 47 HIS C C 47 175.940 175.940 175.149 0.791 19710 6514 1 20 . 1 1 47 47 HIS CA C 47 56.483 56.483 56.056 0.428 19710 6515 1 20 . 1 1 47 47 HIS CB C 47 29.209 29.209 30.325 -1.116 19710 6516 1 20 . 1 1 48 48 CYS N N 48 118.214 118.214 120.875 -2.661 19710 6517 1 20 . 1 1 48 48 CYS HA H 48 4.902 4.902 4.623 0.279 19710 6518 1 20 . 1 1 48 48 CYS C C 48 174.988 174.988 175.475 -0.487 19710 6519 1 20 . 1 1 48 48 CYS CA C 48 57.439 57.439 58.939 -1.500 19710 6520 1 20 . 1 1 48 48 CYS CB C 48 28.038 28.038 27.504 0.534 19710 6521 1 20 . 1 1 48 48 CYS H H 48 7.823 7.823 8.273 -0.450 19710 6522 1 20 . 1 1 49 49 GLU N N 49 122.478 122.478 126.025 -3.547 19710 6523 1 20 . 1 1 49 49 GLU HA H 49 3.718 3.718 4.048 -0.330 19710 6524 1 20 . 1 1 49 49 GLU C C 49 177.607 177.607 177.161 0.446 19710 6525 1 20 . 1 1 49 49 GLU CA C 49 60.496 60.496 58.732 1.764 19710 6526 1 20 . 1 1 49 49 GLU CB C 49 29.391 29.391 29.867 -0.476 19710 6527 1 20 . 1 1 49 49 GLU H H 49 8.524 8.524 9.018 -0.494 19710 6528 1 20 . 1 1 50 50 GLU N N 50 118.424 118.424 118.293 0.131 19710 6529 1 20 . 1 1 50 50 GLU HA H 50 4.035 4.035 4.013 0.022 19710 6530 1 20 . 1 1 50 50 GLU C C 50 178.942 178.942 178.507 0.435 19710 6531 1 20 . 1 1 50 50 GLU CA C 50 59.341 59.341 58.898 0.443 19710 6532 1 20 . 1 1 50 50 GLU CB C 50 28.492 28.492 28.619 -0.127 19710 6533 1 20 . 1 1 50 50 GLU H H 50 9.192 9.192 8.822 0.370 19710 6534 1 20 . 1 1 51 51 PHE N N 51 117.631 117.631 117.962 -0.331 19710 6535 1 20 . 1 1 51 51 PHE HA H 51 4.345 4.345 4.499 -0.154 19710 6536 1 20 . 1 1 51 51 PHE C C 51 179.013 179.013 178.054 0.959 19710 6537 1 20 . 1 1 51 51 PHE CA C 51 59.916 59.916 61.146 -1.230 19710 6538 1 20 . 1 1 51 51 PHE CB C 51 38.425 38.425 38.914 -0.490 19710 6539 1 20 . 1 1 51 51 PHE H H 51 7.350 7.350 7.620 -0.270 19710 6540 1 20 . 1 1 52 52 ILE N N 52 123.512 123.512 119.321 4.191 19710 6541 1 20 . 1 1 52 52 ILE HA H 52 3.260 3.260 3.776 -0.516 19710 6542 1 20 . 1 1 52 52 ILE C C 52 177.036 177.036 177.683 -0.647 19710 6543 1 20 . 1 1 52 52 ILE CA C 52 65.356 65.356 64.651 0.705 19710 6544 1 20 . 1 1 52 52 ILE CB C 52 38.172 38.172 37.487 0.685 19710 6545 1 20 . 1 1 52 52 ILE H H 52 7.625 7.625 7.875 -0.250 19710 6546 1 20 . 1 1 53 53 ASP N N 53 120.257 120.257 120.339 -0.082 19710 6547 1 20 . 1 1 53 53 ASP HA H 53 4.302 4.302 4.345 -0.043 19710 6548 1 20 . 1 1 53 53 ASP C C 53 179.243 179.243 178.117 1.126 19710 6549 1 20 . 1 1 53 53 ASP CA C 53 57.343 57.343 57.920 -0.577 19710 6550 1 20 . 1 1 53 53 ASP CB C 53 40.085 40.085 41.090 -1.006 19710 6551 1 20 . 1 1 53 53 ASP H H 53 8.144 8.144 8.111 0.033 19710 6552 1 20 . 1 1 54 54 GLU N N 54 119.707 119.707 119.353 0.354 19710 6553 1 20 . 1 1 54 54 GLU HA H 54 3.944 3.944 4.031 -0.087 19710 6554 1 20 . 1 1 54 54 GLU C C 54 178.652 178.652 178.660 -0.008 19710 6555 1 20 . 1 1 54 54 GLU CA C 54 59.071 59.071 58.610 0.461 19710 6556 1 20 . 1 1 54 54 GLU CB C 54 29.765 29.765 29.193 0.572 19710 6557 1 20 . 1 1 54 54 GLU H H 54 7.875 7.875 7.995 -0.120 19710 6558 1 20 . 1 1 55 55 PHE N N 55 120.573 120.573 122.244 -1.671 19710 6559 1 20 . 1 1 55 55 PHE HA H 55 4.138 4.138 4.232 -0.094 19710 6560 1 20 . 1 1 55 55 PHE C C 55 177.460 177.460 176.855 0.605 19710 6561 1 20 . 1 1 55 55 PHE CA C 55 61.425 61.425 60.616 0.809 19710 6562 1 20 . 1 1 55 55 PHE CB C 55 39.347 39.347 39.326 0.021 19710 6563 1 20 . 1 1 55 55 PHE H H 55 7.784 7.784 8.126 -0.342 19710 6564 1 20 . 1 1 56 56 ASN N N 56 117.284 117.284 117.749 -0.465 19710 6565 1 20 . 1 1 56 56 ASN HA H 56 4.349 4.349 4.032 0.317 19710 6566 1 20 . 1 1 56 56 ASN C C 56 177.227 177.227 177.263 -0.036 19710 6567 1 20 . 1 1 56 56 ASN CA C 56 54.592 54.592 56.287 -1.695 19710 6568 1 20 . 1 1 56 56 ASN CB C 56 37.947 37.947 38.603 -0.656 19710 6569 1 20 . 1 1 56 56 ASN H H 56 8.563 8.563 7.939 0.624 19710 6570 1 20 . 1 1 57 57 GLY N N 57 107.640 107.640 107.335 0.305 19710 6571 1 20 . 1 1 57 57 GLY C C 57 174.906 174.906 175.474 -0.568 19710 6572 1 20 . 1 1 57 57 GLY CA C 57 46.079 46.079 47.019 -0.940 19710 6573 1 20 . 1 1 57 57 GLY H H 57 7.890 7.890 7.751 0.139 19710 6574 1 20 . 1 1 58 58 LEU N N 58 120.735 120.735 116.214 4.521 19710 6575 1 20 . 1 1 58 58 LEU HA H 58 4.110 4.110 4.481 -0.371 19710 6576 1 20 . 1 1 58 58 LEU C C 58 177.607 177.607 177.759 -0.152 19710 6577 1 20 . 1 1 58 58 LEU CA C 58 55.836 55.836 56.598 -0.762 19710 6578 1 20 . 1 1 58 58 LEU CB C 58 42.340 42.340 41.700 0.640 19710 6579 1 20 . 1 1 58 58 LEU H H 58 7.528 7.528 7.594 -0.066 19710 6580 1 20 . 1 1 59 59 HIS N N 59 118.359 118.359 117.442 0.917 19710 6581 1 20 . 1 1 59 59 HIS HA H 59 4.417 4.417 4.430 -0.013 19710 6582 1 20 . 1 1 59 59 HIS C C 59 175.499 175.499 175.882 -0.383 19710 6583 1 20 . 1 1 59 59 HIS CA C 59 56.604 56.604 58.280 -1.676 19710 6584 1 20 . 1 1 59 59 HIS CB C 59 30.480 30.480 30.958 -0.478 19710 6585 1 20 . 1 1 59 59 HIS H H 59 7.875 7.875 8.260 -0.385 19710 6586 1 20 . 1 1 60 60 MET N N 60 120.255 120.255 118.543 1.712 19710 6587 1 20 . 1 1 60 60 MET HA H 60 4.365 4.365 4.493 -0.128 19710 6588 1 20 . 1 1 60 60 MET CA C 60 55.643 55.643 56.785 -1.142 19710 6589 1 20 . 1 1 60 60 MET CB C 60 32.684 32.684 34.609 -1.925 19710 6590 1 20 . 1 1 60 60 MET H H 60 7.884 7.884 7.702 0.182 19710 6591 1 20 . 1 1 62 62 LYS HA H 62 4.301 4.301 4.639 -0.338 19710 6592 1 20 . 1 1 62 62 LYS C C 62 176.168 176.168 175.275 0.893 19710 6593 1 20 . 1 1 62 62 LYS CA C 62 56.312 56.312 55.643 0.669 19710 6594 1 20 . 1 1 62 62 LYS CB C 62 32.975 32.975 33.856 -0.881 19710 6595 1 20 . 1 1 63 63 ASP N N 63 121.259 121.259 120.088 1.171 19710 6596 1 20 . 1 1 63 63 ASP HA H 63 4.540 4.540 4.681 -0.141 19710 6597 1 20 . 1 1 63 63 ASP C C 63 175.024 175.024 176.178 -1.154 19710 6598 1 20 . 1 1 63 63 ASP CA C 63 54.569 54.569 53.961 0.608 19710 6599 1 20 . 1 1 63 63 ASP CB C 63 41.120 41.120 41.062 0.058 19710 6600 1 20 . 1 1 63 63 ASP H H 63 8.263 8.263 8.499 -0.236 19710 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 53 2.756 0.199 2.776 19710 2 1 1 "Average Difference" HA 65 0.411 0.027 0.413 19710 3 1 1 "Average Difference" C 54 0.945 0.153 0.941 19710 4 1 1 "Average Difference" CA 60 1.279 0.289 1.257 19710 5 1 1 "Average Difference" CB 55 1.218 -0.060 1.228 19710 6 1 1 "Average Difference" HN 53 0.486 -0.070 0.486 19710 7 1 2 "Average Difference" N 53 3.057 -0.289 3.073 19710 8 1 2 "Average Difference" HA 65 0.419 0.000 0.423 19710 9 1 2 "Average Difference" C 54 0.865 0.167 0.857 19710 10 1 2 "Average Difference" CA 60 1.323 0.353 1.285 19710 11 1 2 "Average Difference" CB 55 1.210 0.084 1.218 19710 12 1 2 "Average Difference" HN 53 0.468 -0.091 0.463 19710 13 1 3 "Average Difference" N 53 2.797 -0.351 2.801 19710 14 1 3 "Average Difference" HA 65 0.451 0.009 0.454 19710 15 1 3 "Average Difference" C 54 0.814 0.177 0.802 19710 16 1 3 "Average Difference" CA 60 1.401 0.310 1.378 19710 17 1 3 "Average Difference" CB 55 1.189 0.118 1.194 19710 18 1 3 "Average Difference" HN 53 0.541 -0.121 0.533 19710 19 1 4 "Average Difference" N 53 2.924 -0.234 2.942 19710 20 1 4 "Average Difference" HA 65 0.396 0.023 0.399 19710 21 1 4 "Average Difference" C 54 0.854 0.151 0.849 19710 22 1 4 "Average Difference" CA 60 1.207 0.249 1.191 19710 23 1 4 "Average Difference" CB 55 0.980 0.089 0.985 19710 24 1 4 "Average Difference" HN 53 0.478 -0.081 0.476 19710 25 1 5 "Average Difference" N 53 3.215 -0.115 3.243 19710 26 1 5 "Average Difference" HA 65 0.413 0.017 0.415 19710 27 1 5 "Average Difference" C 54 0.964 0.207 0.950 19710 28 1 5 "Average Difference" CA 60 1.290 0.407 1.234 19710 29 1 5 "Average Difference" CB 55 1.210 -0.012 1.221 19710 30 1 5 "Average Difference" HN 53 0.524 -0.065 0.525 19710 31 1 6 "Average Difference" N 53 3.102 -0.259 3.121 19710 32 1 6 "Average Difference" HA 65 0.380 0.024 0.382 19710 33 1 6 "Average Difference" C 54 0.870 0.266 0.836 19710 34 1 6 "Average Difference" CA 60 1.370 0.364 1.332 19710 35 1 6 "Average Difference" CB 55 1.110 0.045 1.119 19710 36 1 6 "Average Difference" HN 53 0.516 -0.027 0.520 19710 37 1 7 "Average Difference" N 53 2.888 -0.210 2.908 19710 38 1 7 "Average Difference" HA 65 0.402 0.013 0.405 19710 39 1 7 "Average Difference" C 54 0.825 0.211 0.805 19710 40 1 7 "Average Difference" CA 60 1.314 0.368 1.272 19710 41 1 7 "Average Difference" CB 55 1.281 0.043 1.292 19710 42 1 7 "Average Difference" HN 53 0.473 -0.061 0.474 19710 43 1 8 "Average Difference" N 53 3.097 -0.251 3.117 19710 44 1 8 "Average Difference" HA 65 0.403 0.014 0.406 19710 45 1 8 "Average Difference" C 54 0.829 0.234 0.803 19710 46 1 8 "Average Difference" CA 60 1.394 0.450 1.330 19710 47 1 8 "Average Difference" CB 55 1.241 0.025 1.252 19710 48 1 8 "Average Difference" HN 53 0.488 -0.016 0.492 19710 49 1 9 "Average Difference" N 53 2.929 -0.432 2.925 19710 50 1 9 "Average Difference" HA 65 0.390 0.046 0.390 19710 51 1 9 "Average Difference" C 54 0.960 0.105 0.963 19710 52 1 9 "Average Difference" CA 60 1.210 0.228 1.198 19710 53 1 9 "Average Difference" CB 55 1.255 0.010 1.266 19710 54 1 9 "Average Difference" HN 53 0.520 -0.020 0.525 19710 55 1 10 "Average Difference" N 53 2.818 -0.345 2.824 19710 56 1 10 "Average Difference" HA 65 0.406 -0.012 0.409 19710 57 1 10 "Average Difference" C 54 0.884 0.216 0.866 19710 58 1 10 "Average Difference" CA 60 1.396 0.345 1.364 19710 59 1 10 "Average Difference" CB 55 1.187 0.085 1.195 19710 60 1 10 "Average Difference" HN 53 0.466 -0.089 0.462 19710 61 1 11 "Average Difference" N 53 3.025 -0.302 3.038 19710 62 1 11 "Average Difference" HA 65 0.365 0.015 0.367 19710 63 1 11 "Average Difference" C 54 0.897 0.116 0.898 19710 64 1 11 "Average Difference" CA 60 1.298 0.319 1.269 19710 65 1 11 "Average Difference" CB 55 1.205 0.080 1.214 19710 66 1 11 "Average Difference" HN 53 0.483 -0.058 0.484 19710 67 1 12 "Average Difference" N 53 2.853 -0.163 2.876 19710 68 1 12 "Average Difference" HA 65 0.383 0.016 0.386 19710 69 1 12 "Average Difference" C 54 0.918 0.155 0.913 19710 70 1 12 "Average Difference" CA 60 1.223 0.194 1.217 19710 71 1 12 "Average Difference" CB 55 1.179 0.032 1.189 19710 72 1 12 "Average Difference" HN 53 0.482 -0.083 0.479 19710 73 1 13 "Average Difference" N 53 3.073 -0.439 3.070 19710 74 1 13 "Average Difference" HA 65 0.393 -0.006 0.396 19710 75 1 13 "Average Difference" C 54 0.955 0.134 0.954 19710 76 1 13 "Average Difference" CA 60 1.267 0.401 1.212 19710 77 1 13 "Average Difference" CB 55 1.089 0.070 1.097 19710 78 1 13 "Average Difference" HN 53 0.459 -0.066 0.458 19710 79 1 14 "Average Difference" N 53 2.959 -0.262 2.975 19710 80 1 14 "Average Difference" HA 65 0.416 0.047 0.416 19710 81 1 14 "Average Difference" C 54 0.881 0.111 0.883 19710 82 1 14 "Average Difference" CA 60 1.240 0.188 1.236 19710 83 1 14 "Average Difference" CB 55 1.269 0.103 1.276 19710 84 1 14 "Average Difference" HN 53 0.519 -0.112 0.512 19710 85 1 15 "Average Difference" N 53 2.841 -0.430 2.835 19710 86 1 15 "Average Difference" HA 65 0.386 0.004 0.389 19710 87 1 15 "Average Difference" C 54 0.962 0.182 0.953 19710 88 1 15 "Average Difference" CA 60 1.369 0.435 1.309 19710 89 1 15 "Average Difference" CB 55 1.155 0.108 1.160 19710 90 1 15 "Average Difference" HN 53 0.506 -0.045 0.509 19710 91 1 16 "Average Difference" N 53 2.996 -0.672 2.948 19710 92 1 16 "Average Difference" HA 65 0.380 0.034 0.382 19710 93 1 16 "Average Difference" C 54 0.967 0.095 0.972 19710 94 1 16 "Average Difference" CA 60 1.304 0.192 1.301 19710 95 1 16 "Average Difference" CB 55 1.248 0.110 1.254 19710 96 1 16 "Average Difference" HN 53 0.448 -0.081 0.445 19710 97 1 17 "Average Difference" N 53 2.995 -0.509 2.980 19710 98 1 17 "Average Difference" HA 65 0.397 0.033 0.398 19710 99 1 17 "Average Difference" C 54 0.952 0.336 0.899 19710 100 1 17 "Average Difference" CA 60 1.509 0.478 1.443 19710 101 1 17 "Average Difference" CB 55 1.285 0.092 1.294 19710 102 1 17 "Average Difference" HN 53 0.444 -0.025 0.448 19710 103 1 18 "Average Difference" N 53 2.823 -0.431 2.817 19710 104 1 18 "Average Difference" HA 65 0.413 0.033 0.415 19710 105 1 18 "Average Difference" C 54 0.947 0.162 0.942 19710 106 1 18 "Average Difference" CA 60 1.369 0.221 1.362 19710 107 1 18 "Average Difference" CB 55 1.326 0.104 1.334 19710 108 1 18 "Average Difference" HN 53 0.536 -0.084 0.535 19710 109 1 19 "Average Difference" N 53 2.717 -0.212 2.735 19710 110 1 19 "Average Difference" HA 65 0.418 0.045 0.418 19710 111 1 19 "Average Difference" C 54 1.037 0.087 1.043 19710 112 1 19 "Average Difference" CA 60 1.318 0.244 1.306 19710 113 1 19 "Average Difference" CB 55 1.185 0.194 1.180 19710 114 1 19 "Average Difference" HN 53 0.511 -0.052 0.513 19710 115 1 20 "Average Difference" N 53 3.204 -0.401 3.209 19710 116 1 20 "Average Difference" HA 65 0.362 0.086 0.354 19710 117 1 20 "Average Difference" C 54 0.896 0.207 0.880 19710 118 1 20 "Average Difference" CA 60 1.351 0.324 1.323 19710 119 1 20 "Average Difference" CB 55 1.130 0.046 1.139 19710 120 1 20 "Average Difference" HN 53 0.473 -0.018 0.477 19710 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 19710 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ALA HA H 2 4.257 4.257 4.526 -0.269 19710 2 1 . 1 1 2 2 ALA CA C 2 52.527 52.527 52.173 0.354 19710 3 1 . 1 1 2 2 ALA CB C 2 19.363 19.363 19.450 -0.087 19710 4 1 . 1 1 4 4 GLY C C 4 173.756 173.756 173.729 0.027 19710 5 1 . 1 1 4 4 GLY CA C 4 45.291 45.291 45.140 0.151 19710 6 1 . 1 1 5 5 ASP N N 5 120.203 120.203 121.625 -1.422 19710 7 1 . 1 1 5 5 ASP HA H 5 4.451 4.451 4.388 0.063 19710 8 1 . 1 1 5 5 ASP C C 5 175.671 175.671 176.565 -0.894 19710 9 1 . 1 1 5 5 ASP CA C 5 54.422 54.422 55.119 -0.697 19710 10 1 . 1 1 5 5 ASP CB C 5 41.179 41.179 41.009 0.170 19710 11 1 . 1 1 5 5 ASP H H 5 8.028 8.028 8.307 -0.279 19710 12 1 . 1 1 6 6 LEU N N 6 121.200 121.200 121.251 -0.051 19710 13 1 . 1 1 6 6 LEU HA H 6 4.135 4.135 4.288 -0.153 19710 14 1 . 1 1 6 6 LEU C C 6 176.638 176.638 176.268 0.370 19710 15 1 . 1 1 6 6 LEU CA C 6 55.097 55.097 53.763 1.334 19710 16 1 . 1 1 6 6 LEU CB C 6 42.364 42.364 40.368 1.995 19710 17 1 . 1 1 6 6 LEU H H 6 7.873 7.873 7.470 0.403 19710 18 1 . 1 1 7 7 TYR N N 7 121.938 121.938 121.131 0.807 19710 19 1 . 1 1 7 7 TYR HA H 7 4.631 4.631 4.100 0.531 19710 20 1 . 1 1 7 7 TYR C C 7 175.047 175.047 176.313 -1.266 19710 21 1 . 1 1 7 7 TYR CA C 7 57.261 57.261 60.024 -2.763 19710 22 1 . 1 1 7 7 TYR CB C 7 38.921 38.921 38.756 0.165 19710 23 1 . 1 1 7 7 TYR H H 7 8.011 8.011 7.363 0.648 19710 24 1 . 1 1 8 8 GLU N N 8 122.393 122.393 118.294 4.099 19710 25 1 . 1 1 8 8 GLU HA H 8 4.769 4.769 4.472 0.297 19710 26 1 . 1 1 8 8 GLU C C 8 175.583 175.583 175.051 0.532 19710 27 1 . 1 1 8 8 GLU CA C 8 54.988 54.988 55.679 -0.691 19710 28 1 . 1 1 8 8 GLU CB C 8 32.551 32.551 30.865 1.686 19710 29 1 . 1 1 8 8 GLU H H 8 9.047 9.047 8.324 0.723 19710 30 1 . 1 1 9 9 VAL N N 9 126.546 126.546 122.901 3.645 19710 31 1 . 1 1 9 9 VAL HA H 9 3.092 3.092 4.272 -1.180 19710 32 1 . 1 1 9 9 VAL C C 9 175.170 175.170 175.363 -0.193 19710 33 1 . 1 1 9 9 VAL CA C 9 64.309 64.309 62.098 2.211 19710 34 1 . 1 1 9 9 VAL CB C 9 32.983 32.983 32.518 0.465 19710 35 1 . 1 1 9 9 VAL H H 9 8.677 8.677 8.271 0.406 19710 36 1 . 1 1 10 10 GLU N N 10 126.674 126.674 128.765 -2.091 19710 37 1 . 1 1 10 10 GLU HA H 10 4.234 4.234 4.342 -0.108 19710 38 1 . 1 1 10 10 GLU C C 10 175.505 175.505 176.638 -1.133 19710 39 1 . 1 1 10 10 GLU CA C 10 57.459 57.459 58.354 -0.895 19710 40 1 . 1 1 10 10 GLU CB C 10 31.296 31.296 30.923 0.373 19710 41 1 . 1 1 10 10 GLU H H 10 9.120 9.120 8.807 0.313 19710 42 1 . 1 1 11 11 ARG N N 11 111.321 111.321 112.351 -1.030 19710 43 1 . 1 1 11 11 ARG HA H 11 4.115 4.115 4.784 -0.669 19710 44 1 . 1 1 11 11 ARG C C 11 172.330 172.330 174.112 -1.782 19710 45 1 . 1 1 11 11 ARG CA C 11 54.723 54.723 55.204 -0.481 19710 46 1 . 1 1 11 11 ARG CB C 11 32.309 32.309 31.995 0.314 19710 47 1 . 1 1 11 11 ARG H H 11 7.476 7.476 7.730 -0.254 19710 48 1 . 1 1 12 12 ILE N N 12 120.610 120.610 120.278 0.332 19710 49 1 . 1 1 12 12 ILE HA H 12 4.085 4.085 4.150 -0.065 19710 50 1 . 1 1 12 12 ILE C C 12 175.353 175.353 176.425 -1.072 19710 51 1 . 1 1 12 12 ILE CA C 12 60.515 60.515 61.998 -1.483 19710 52 1 . 1 1 12 12 ILE CB C 12 38.338 38.338 37.883 0.455 19710 53 1 . 1 1 12 12 ILE H H 12 8.295 8.295 8.737 -0.442 19710 54 1 . 1 1 13 13 VAL N N 13 122.026 122.026 127.124 -5.098 19710 55 1 . 1 1 13 13 VAL HA H 13 4.047 4.047 3.957 0.090 19710 56 1 . 1 1 13 13 VAL C C 13 175.311 175.311 176.077 -0.766 19710 57 1 . 1 1 13 13 VAL CA C 13 62.460 62.460 64.831 -2.371 19710 58 1 . 1 1 13 13 VAL CB C 13 33.344 33.344 32.594 0.750 19710 59 1 . 1 1 13 13 VAL H H 13 8.939 8.939 8.781 0.158 19710 60 1 . 1 1 14 14 ASP N N 14 117.407 117.407 114.652 2.755 19710 61 1 . 1 1 14 14 ASP HA H 14 4.776 4.776 4.945 -0.169 19710 62 1 . 1 1 14 14 ASP C C 14 173.374 173.374 173.560 -0.186 19710 63 1 . 1 1 14 14 ASP CA C 14 53.034 53.034 53.163 -0.129 19710 64 1 . 1 1 14 14 ASP CB C 14 43.749 43.749 43.351 0.398 19710 65 1 . 1 1 14 14 ASP H H 14 7.236 7.236 7.845 -0.609 19710 66 1 . 1 1 15 15 LYS N N 15 118.628 118.628 118.403 0.225 19710 67 1 . 1 1 15 15 LYS HA H 15 5.517 5.517 4.461 1.056 19710 68 1 . 1 1 15 15 LYS C C 15 173.885 173.885 174.792 -0.907 19710 69 1 . 1 1 15 15 LYS CA C 15 55.716 55.716 54.762 0.954 19710 70 1 . 1 1 15 15 LYS CB C 15 37.575 37.575 35.033 2.542 19710 71 1 . 1 1 15 15 LYS H H 15 9.430 9.430 8.252 1.178 19710 72 1 . 1 1 16 16 ARG N N 16 120.175 120.175 116.804 3.371 19710 73 1 . 1 1 16 16 ARG HA H 16 4.872 4.872 4.492 0.381 19710 74 1 . 1 1 16 16 ARG C C 16 172.365 172.365 173.616 -1.251 19710 75 1 . 1 1 16 16 ARG CA C 16 54.680 54.680 55.018 -0.338 19710 76 1 . 1 1 16 16 ARG CB C 16 32.460 32.460 32.118 0.342 19710 77 1 . 1 1 16 16 ARG H H 16 9.326 9.326 8.621 0.705 19710 78 1 . 1 1 17 17 LYS N N 17 122.374 122.374 120.326 2.048 19710 79 1 . 1 1 17 17 LYS HA H 17 4.306 4.306 4.801 -0.495 19710 80 1 . 1 1 17 17 LYS C C 17 176.978 176.978 176.494 0.484 19710 81 1 . 1 1 17 17 LYS CA C 17 54.557 54.557 54.501 0.056 19710 82 1 . 1 1 17 17 LYS CB C 17 33.310 33.310 33.609 -0.299 19710 83 1 . 1 1 17 17 LYS H H 17 8.480 8.480 8.334 0.146 19710 84 1 . 1 1 18 18 ASN N N 18 123.092 123.092 123.127 -0.035 19710 85 1 . 1 1 18 18 ASN HA H 18 4.482 4.482 4.556 -0.074 19710 86 1 . 1 1 18 18 ASN CA C 18 50.611 50.611 53.636 -3.025 19710 87 1 . 1 1 18 18 ASN CB C 18 39.055 39.055 40.134 -1.079 19710 88 1 . 1 1 18 18 ASN H H 18 8.736 8.736 8.444 0.292 19710 89 1 . 1 1 19 19 LYS HA H 19 3.939 3.939 4.065 -0.126 19710 90 1 . 1 1 19 19 LYS C C 19 177.548 177.548 177.535 0.013 19710 91 1 . 1 1 19 19 LYS CA C 19 58.543 58.543 58.457 0.086 19710 92 1 . 1 1 19 19 LYS CB C 19 31.933 31.933 31.935 -0.002 19710 93 1 . 1 1 20 20 LYS N N 20 117.362 117.362 118.613 -1.251 19710 94 1 . 1 1 20 20 LYS HA H 20 4.262 4.262 4.289 -0.027 19710 95 1 . 1 1 20 20 LYS C C 20 176.514 176.514 176.477 0.037 19710 96 1 . 1 1 20 20 LYS CA C 20 55.489 55.489 55.666 -0.177 19710 97 1 . 1 1 20 20 LYS CB C 20 32.105 32.105 32.490 -0.384 19710 98 1 . 1 1 20 20 LYS H H 20 7.491 7.491 8.004 -0.513 19710 99 1 . 1 1 21 21 GLY N N 21 107.275 107.275 108.263 -0.988 19710 100 1 . 1 1 21 21 GLY C C 21 173.503 173.503 173.777 -0.274 19710 101 1 . 1 1 21 21 GLY CA C 21 45.413 45.413 45.468 -0.055 19710 102 1 . 1 1 21 21 GLY H H 21 7.966 7.966 7.686 0.280 19710 103 1 . 1 1 22 22 LYS N N 22 119.753 119.753 118.464 1.289 19710 104 1 . 1 1 22 22 LYS HA H 22 4.380 4.380 4.326 0.054 19710 105 1 . 1 1 22 22 LYS C C 22 175.319 175.319 176.316 -0.997 19710 106 1 . 1 1 22 22 LYS CA C 22 53.197 53.197 54.614 -1.417 19710 107 1 . 1 1 22 22 LYS CB C 22 33.531 33.531 33.549 -0.018 19710 108 1 . 1 1 22 22 LYS H H 22 7.457 7.457 7.619 -0.162 19710 109 1 . 1 1 23 23 TRP N N 23 120.227 120.227 121.892 -1.665 19710 110 1 . 1 1 23 23 TRP HA H 23 4.837 4.837 4.687 0.150 19710 111 1 . 1 1 23 23 TRP C C 23 176.246 176.246 176.062 0.184 19710 112 1 . 1 1 23 23 TRP CA C 23 57.338 57.338 57.470 -0.132 19710 113 1 . 1 1 23 23 TRP CB C 23 31.142 31.142 29.301 1.841 19710 114 1 . 1 1 23 23 TRP H H 23 8.564 8.564 8.910 -0.346 19710 115 1 . 1 1 24 24 GLU N N 24 120.044 120.044 121.875 -1.831 19710 116 1 . 1 1 24 24 GLU HA H 24 4.921 4.921 5.117 -0.196 19710 117 1 . 1 1 24 24 GLU C C 24 174.505 174.505 175.186 -0.681 19710 118 1 . 1 1 24 24 GLU CA C 24 54.223 54.223 54.861 -0.638 19710 119 1 . 1 1 24 24 GLU CB C 24 33.711 33.711 34.145 -0.434 19710 120 1 . 1 1 24 24 GLU H H 24 9.257 9.257 8.540 0.717 19710 121 1 . 1 1 25 25 TYR N N 25 118.993 118.993 121.002 -2.009 19710 122 1 . 1 1 25 25 TYR HA H 25 5.017 5.017 4.687 0.330 19710 123 1 . 1 1 25 25 TYR C C 25 173.068 173.068 174.444 -1.376 19710 124 1 . 1 1 25 25 TYR CA C 25 57.173 57.173 57.011 0.162 19710 125 1 . 1 1 25 25 TYR CB C 25 41.873 41.873 41.463 0.410 19710 126 1 . 1 1 25 25 TYR H H 25 9.119 9.119 9.284 -0.165 19710 127 1 . 1 1 26 26 LEU N N 26 128.028 128.028 125.822 2.206 19710 128 1 . 1 1 26 26 LEU HA H 26 3.632 3.632 4.614 -0.982 19710 129 1 . 1 1 26 26 LEU C C 26 173.813 173.813 175.357 -1.544 19710 130 1 . 1 1 26 26 LEU CA C 26 53.371 53.371 55.029 -1.658 19710 131 1 . 1 1 26 26 LEU CB C 26 39.946 39.946 42.201 -2.255 19710 132 1 . 1 1 26 26 LEU H H 26 7.788 7.788 8.248 -0.460 19710 133 1 . 1 1 27 27 ILE N N 27 130.050 130.050 126.499 3.551 19710 134 1 . 1 1 27 27 ILE HA H 27 3.604 3.604 4.617 -1.013 19710 135 1 . 1 1 27 27 ILE C C 27 173.398 173.398 174.616 -1.218 19710 136 1 . 1 1 27 27 ILE CA C 27 58.760 58.760 58.474 0.286 19710 137 1 . 1 1 27 27 ILE CB C 27 38.186 38.186 39.913 -1.727 19710 138 1 . 1 1 27 27 ILE H H 27 8.752 8.752 9.089 -0.337 19710 139 1 . 1 1 28 28 ARG N N 28 123.071 123.071 121.821 1.250 19710 140 1 . 1 1 28 28 ARG HA H 28 4.474 4.474 4.773 -0.299 19710 141 1 . 1 1 28 28 ARG C C 28 174.476 174.476 174.869 -0.393 19710 142 1 . 1 1 28 28 ARG CA C 28 52.104 52.104 54.512 -2.408 19710 143 1 . 1 1 28 28 ARG CB C 28 29.007 29.007 32.595 -3.589 19710 144 1 . 1 1 28 28 ARG H H 28 7.453 7.453 8.514 -1.061 19710 145 1 . 1 1 29 29 TRP N N 29 132.787 132.787 122.305 10.482 19710 146 1 . 1 1 29 29 TRP HA H 29 4.731 4.731 5.093 -0.362 19710 147 1 . 1 1 29 29 TRP C C 29 176.623 176.623 175.711 0.912 19710 148 1 . 1 1 29 29 TRP CA C 29 55.653 55.653 54.390 1.263 19710 149 1 . 1 1 29 29 TRP CB C 29 31.065 31.065 30.947 0.118 19710 150 1 . 1 1 29 29 TRP H H 29 9.197 9.197 8.480 0.717 19710 151 1 . 1 1 30 30 LYS N N 30 122.843 122.843 122.765 0.078 19710 152 1 . 1 1 30 30 LYS HA H 30 4.212 4.212 4.194 0.018 19710 153 1 . 1 1 30 30 LYS C C 30 177.688 177.688 177.510 0.178 19710 154 1 . 1 1 30 30 LYS CA C 30 58.203 58.203 57.872 0.331 19710 155 1 . 1 1 30 30 LYS CB C 30 33.152 33.152 32.952 0.200 19710 156 1 . 1 1 30 30 LYS H H 30 9.134 9.134 8.576 0.558 19710 157 1 . 1 1 31 31 GLY N N 31 113.057 113.057 112.624 0.433 19710 158 1 . 1 1 31 31 GLY C C 31 173.562 173.562 174.273 -0.711 19710 159 1 . 1 1 31 31 GLY CA C 31 44.973 44.973 45.196 -0.223 19710 160 1 . 1 1 31 31 GLY H H 31 8.646 8.646 8.833 -0.187 19710 161 1 . 1 1 32 32 TYR N N 32 119.993 119.993 121.229 -1.236 19710 162 1 . 1 1 32 32 TYR HA H 32 4.620 4.620 4.723 -0.103 19710 163 1 . 1 1 32 32 TYR C C 32 175.254 175.254 176.090 -0.836 19710 164 1 . 1 1 32 32 TYR CA C 32 57.742 57.742 57.888 -0.146 19710 165 1 . 1 1 32 32 TYR CB C 32 40.377 40.377 40.090 0.287 19710 166 1 . 1 1 32 32 TYR H H 32 8.119 8.119 7.594 0.525 19710 167 1 . 1 1 33 33 GLY N N 33 106.930 106.930 108.313 -1.383 19710 168 1 . 1 1 33 33 GLY CA C 33 44.052 44.052 45.724 -1.672 19710 169 1 . 1 1 33 33 GLY H H 33 8.510 8.510 8.309 0.201 19710 170 1 . 1 1 34 34 SER HA H 34 4.437 4.437 4.344 0.093 19710 171 1 . 1 1 34 34 SER C C 34 176.594 176.594 176.715 -0.121 19710 172 1 . 1 1 34 34 SER CA C 34 60.033 60.033 61.041 -1.008 19710 173 1 . 1 1 34 34 SER CB C 34 63.310 63.310 63.078 0.232 19710 174 1 . 1 1 35 35 THR N N 35 113.722 113.722 115.007 -1.285 19710 175 1 . 1 1 35 35 THR HA H 35 4.117 4.117 4.199 -0.082 19710 176 1 . 1 1 35 35 THR C C 35 175.474 175.474 175.440 0.034 19710 177 1 . 1 1 35 35 THR CA C 35 63.751 63.751 63.948 -0.197 19710 178 1 . 1 1 35 35 THR CB C 35 68.542 68.542 68.590 -0.048 19710 179 1 . 1 1 35 35 THR H H 35 7.788 7.788 8.053 -0.265 19710 180 1 . 1 1 36 36 GLU N N 36 120.073 120.073 120.822 -0.748 19710 181 1 . 1 1 36 36 GLU HA H 36 4.386 4.386 4.104 0.282 19710 182 1 . 1 1 36 36 GLU C C 36 175.013 175.013 176.192 -1.179 19710 183 1 . 1 1 36 36 GLU CA C 36 55.865 55.865 56.784 -0.919 19710 184 1 . 1 1 36 36 GLU CB C 36 29.794 29.794 29.923 -0.129 19710 185 1 . 1 1 36 36 GLU H H 36 7.825 7.825 7.564 0.261 19710 186 1 . 1 1 37 37 ASP N N 37 121.647 121.647 120.391 1.256 19710 187 1 . 1 1 37 37 ASP HA H 37 5.075 5.075 4.367 0.708 19710 188 1 . 1 1 37 37 ASP C C 37 178.071 178.071 175.970 2.101 19710 189 1 . 1 1 37 37 ASP CA C 37 55.606 55.606 55.113 0.493 19710 190 1 . 1 1 37 37 ASP CB C 37 39.712 39.712 39.562 0.151 19710 191 1 . 1 1 37 37 ASP H H 37 7.386 7.386 7.760 -0.374 19710 192 1 . 1 1 38 38 THR N N 38 111.963 111.963 116.087 -4.124 19710 193 1 . 1 1 38 38 THR HA H 38 4.675 4.675 4.288 0.387 19710 194 1 . 1 1 38 38 THR C C 38 173.399 173.399 173.447 -0.048 19710 195 1 . 1 1 38 38 THR CA C 38 59.483 59.483 60.156 -0.673 19710 196 1 . 1 1 38 38 THR CB C 38 71.810 71.810 70.842 0.968 19710 197 1 . 1 1 38 38 THR H H 38 7.821 7.821 8.274 -0.453 19710 198 1 . 1 1 39 39 TRP N N 39 123.340 123.340 126.432 -3.092 19710 199 1 . 1 1 39 39 TRP HA H 39 4.835 4.835 5.158 -0.323 19710 200 1 . 1 1 39 39 TRP C C 39 177.090 177.090 175.556 1.534 19710 201 1 . 1 1 39 39 TRP CA C 39 56.443 56.443 55.155 1.288 19710 202 1 . 1 1 39 39 TRP CB C 39 29.574 29.574 28.794 0.779 19710 203 1 . 1 1 39 39 TRP H H 39 8.546 8.546 8.181 0.365 19710 204 1 . 1 1 40 40 GLU N N 40 124.822 124.822 124.588 0.234 19710 205 1 . 1 1 40 40 GLU HA H 40 5.196 5.196 4.870 0.326 19710 206 1 . 1 1 40 40 GLU CA C 40 51.859 51.859 53.084 -1.225 19710 207 1 . 1 1 40 40 GLU CB C 40 31.934 31.934 30.918 1.016 19710 208 1 . 1 1 40 40 GLU H H 40 9.710 9.710 8.587 1.123 19710 209 1 . 1 1 41 41 PRO HA H 41 4.783 4.783 4.844 -0.061 19710 210 1 . 1 1 41 41 PRO C C 41 178.201 178.201 178.185 0.016 19710 211 1 . 1 1 41 41 PRO CA C 41 62.030 62.030 62.871 -0.841 19710 212 1 . 1 1 41 41 PRO CB C 41 32.833 32.833 32.929 -0.096 19710 213 1 . 1 1 42 42 GLU N N 42 118.959 118.959 123.770 -4.811 19710 214 1 . 1 1 42 42 GLU HA H 42 3.984 3.984 4.003 -0.019 19710 215 1 . 1 1 42 42 GLU C C 42 177.841 177.841 178.475 -0.634 19710 216 1 . 1 1 42 42 GLU CA C 42 60.156 60.156 59.884 0.272 19710 217 1 . 1 1 42 42 GLU CB C 42 30.554 30.554 29.792 0.762 19710 218 1 . 1 1 42 42 GLU H H 42 8.531 8.531 8.606 -0.075 19710 219 1 . 1 1 43 43 HIS N N 43 113.679 113.679 115.167 -1.488 19710 220 1 . 1 1 43 43 HIS HA H 43 4.592 4.592 4.392 0.200 19710 221 1 . 1 1 43 43 HIS C C 43 176.547 176.547 175.720 0.827 19710 222 1 . 1 1 43 43 HIS CA C 43 58.187 58.187 57.804 0.383 19710 223 1 . 1 1 43 43 HIS CB C 43 29.362 29.362 29.511 -0.149 19710 224 1 . 1 1 43 43 HIS H H 43 7.998 7.998 8.584 -0.586 19710 225 1 . 1 1 44 44 HIS N N 44 119.428 119.428 115.425 4.003 19710 226 1 . 1 1 44 44 HIS HA H 44 4.886 4.886 4.714 0.172 19710 227 1 . 1 1 44 44 HIS C C 44 175.566 175.566 175.436 0.130 19710 228 1 . 1 1 44 44 HIS CA C 44 55.392 55.392 55.614 -0.222 19710 229 1 . 1 1 44 44 HIS CB C 44 30.049 30.049 31.893 -1.844 19710 230 1 . 1 1 44 44 HIS H H 44 7.755 7.755 7.763 -0.008 19710 231 1 . 1 1 45 45 LEU N N 45 119.789 119.789 119.254 0.535 19710 232 1 . 1 1 45 45 LEU HA H 45 4.580 4.580 4.247 0.333 19710 233 1 . 1 1 45 45 LEU C C 45 176.926 176.926 175.807 1.119 19710 234 1 . 1 1 45 45 LEU CA C 45 53.930 53.930 57.190 -3.260 19710 235 1 . 1 1 45 45 LEU CB C 45 42.010 42.010 42.842 -0.832 19710 236 1 . 1 1 45 45 LEU H H 45 7.601 7.601 7.538 0.063 19710 237 1 . 1 1 46 46 LEU N N 46 121.462 121.462 114.735 6.727 19710 238 1 . 1 1 46 46 LEU HA H 46 4.100 4.100 4.390 -0.290 19710 239 1 . 1 1 46 46 LEU CA C 46 56.925 56.925 54.038 2.887 19710 240 1 . 1 1 46 46 LEU CB C 46 41.703 41.703 44.268 -2.565 19710 241 1 . 1 1 46 46 LEU H H 46 7.696 7.696 7.513 0.183 19710 242 1 . 1 1 47 47 HIS HA H 47 4.742 4.742 4.519 0.222 19710 243 1 . 1 1 47 47 HIS C C 47 175.940 175.940 174.750 1.190 19710 244 1 . 1 1 47 47 HIS CA C 47 56.483 56.483 57.064 -0.581 19710 245 1 . 1 1 47 47 HIS CB C 47 29.209 29.209 30.537 -1.327 19710 246 1 . 1 1 48 48 CYS N N 48 118.214 118.214 120.022 -1.808 19710 247 1 . 1 1 48 48 CYS HA H 48 4.902 4.902 4.601 0.301 19710 248 1 . 1 1 48 48 CYS C C 48 174.988 174.988 175.340 -0.352 19710 249 1 . 1 1 48 48 CYS CA C 48 57.439 57.439 57.995 -0.556 19710 250 1 . 1 1 48 48 CYS CB C 48 28.038 28.038 29.575 -1.537 19710 251 1 . 1 1 48 48 CYS H H 48 7.823 7.823 7.872 -0.049 19710 252 1 . 1 1 49 49 GLU N N 49 122.478 122.478 125.469 -2.990 19710 253 1 . 1 1 49 49 GLU HA H 49 3.718 3.718 4.038 -0.320 19710 254 1 . 1 1 49 49 GLU C C 49 177.607 177.607 177.359 0.248 19710 255 1 . 1 1 49 49 GLU CA C 49 60.496 60.496 58.643 1.853 19710 256 1 . 1 1 49 49 GLU CB C 49 29.391 29.391 29.610 -0.219 19710 257 1 . 1 1 49 49 GLU H H 49 8.524 8.524 9.018 -0.494 19710 258 1 . 1 1 50 50 GLU N N 50 118.424 118.424 118.373 0.051 19710 259 1 . 1 1 50 50 GLU HA H 50 4.035 4.035 4.012 0.023 19710 260 1 . 1 1 50 50 GLU C C 50 178.942 178.942 178.611 0.331 19710 261 1 . 1 1 50 50 GLU CA C 50 59.341 59.341 59.005 0.336 19710 262 1 . 1 1 50 50 GLU CB C 50 28.492 28.492 28.773 -0.281 19710 263 1 . 1 1 50 50 GLU H H 50 9.192 9.192 8.815 0.377 19710 264 1 . 1 1 51 51 PHE N N 51 117.631 117.631 117.537 0.094 19710 265 1 . 1 1 51 51 PHE HA H 51 4.345 4.345 4.459 -0.114 19710 266 1 . 1 1 51 51 PHE C C 51 179.013 179.013 178.072 0.941 19710 267 1 . 1 1 51 51 PHE CA C 51 59.916 59.916 61.161 -1.245 19710 268 1 . 1 1 51 51 PHE CB C 51 38.425 38.425 38.676 -0.251 19710 269 1 . 1 1 51 51 PHE H H 51 7.350 7.350 7.630 -0.280 19710 270 1 . 1 1 52 52 ILE N N 52 123.512 123.512 119.422 4.090 19710 271 1 . 1 1 52 52 ILE HA H 52 3.260 3.260 3.757 -0.497 19710 272 1 . 1 1 52 52 ILE C C 52 177.036 177.036 177.771 -0.735 19710 273 1 . 1 1 52 52 ILE CA C 52 65.356 65.356 64.575 0.781 19710 274 1 . 1 1 52 52 ILE CB C 52 38.172 38.172 37.439 0.733 19710 275 1 . 1 1 52 52 ILE H H 52 7.625 7.625 7.672 -0.047 19710 276 1 . 1 1 53 53 ASP N N 53 120.257 120.257 120.024 0.233 19710 277 1 . 1 1 53 53 ASP HA H 53 4.302 4.302 4.361 -0.059 19710 278 1 . 1 1 53 53 ASP C C 53 179.243 179.243 178.373 0.870 19710 279 1 . 1 1 53 53 ASP CA C 53 57.343 57.343 57.894 -0.551 19710 280 1 . 1 1 53 53 ASP CB C 53 40.085 40.085 41.018 -0.933 19710 281 1 . 1 1 53 53 ASP H H 53 8.144 8.144 8.079 0.065 19710 282 1 . 1 1 54 54 GLU N N 54 119.707 119.707 119.505 0.202 19710 283 1 . 1 1 54 54 GLU HA H 54 3.944 3.944 4.048 -0.104 19710 284 1 . 1 1 54 54 GLU C C 54 178.652 178.652 178.638 0.014 19710 285 1 . 1 1 54 54 GLU CA C 54 59.071 59.071 58.788 0.283 19710 286 1 . 1 1 54 54 GLU CB C 54 29.765 29.765 29.287 0.478 19710 287 1 . 1 1 54 54 GLU H H 54 7.875 7.875 7.898 -0.023 19710 288 1 . 1 1 55 55 PHE N N 55 120.573 120.573 121.808 -1.235 19710 289 1 . 1 1 55 55 PHE HA H 55 4.138 4.138 4.269 -0.131 19710 290 1 . 1 1 55 55 PHE C C 55 177.460 177.460 176.981 0.479 19710 291 1 . 1 1 55 55 PHE CA C 55 61.425 61.425 60.725 0.700 19710 292 1 . 1 1 55 55 PHE CB C 55 39.347 39.347 39.245 0.102 19710 293 1 . 1 1 55 55 PHE H H 55 7.784 7.784 8.159 -0.375 19710 294 1 . 1 1 56 56 ASN N N 56 117.284 117.284 117.472 -0.188 19710 295 1 . 1 1 56 56 ASN HA H 56 4.349 4.349 4.178 0.171 19710 296 1 . 1 1 56 56 ASN C C 56 177.227 177.227 177.536 -0.308 19710 297 1 . 1 1 56 56 ASN CA C 56 54.592 54.592 55.754 -1.162 19710 298 1 . 1 1 56 56 ASN CB C 56 37.947 37.947 38.371 -0.424 19710 299 1 . 1 1 56 56 ASN H H 56 8.563 8.563 8.039 0.524 19710 300 1 . 1 1 57 57 GLY N N 57 107.640 107.640 107.262 0.378 19710 301 1 . 1 1 57 57 GLY C C 57 174.906 174.906 175.582 -0.676 19710 302 1 . 1 1 57 57 GLY CA C 57 46.079 46.079 46.802 -0.723 19710 303 1 . 1 1 57 57 GLY H H 57 7.890 7.890 7.692 0.198 19710 304 1 . 1 1 58 58 LEU N N 58 120.735 120.735 117.337 3.398 19710 305 1 . 1 1 58 58 LEU HA H 58 4.110 4.110 4.462 -0.352 19710 306 1 . 1 1 58 58 LEU C C 58 177.607 177.607 177.866 -0.259 19710 307 1 . 1 1 58 58 LEU CA C 58 55.836 55.836 56.596 -0.760 19710 308 1 . 1 1 58 58 LEU CB C 58 42.340 42.340 41.580 0.760 19710 309 1 . 1 1 58 58 LEU H H 58 7.528 7.528 7.640 -0.112 19710 310 1 . 1 1 59 59 HIS N N 59 118.359 118.359 118.029 0.330 19710 311 1 . 1 1 59 59 HIS HA H 59 4.417 4.417 4.456 -0.039 19710 312 1 . 1 1 59 59 HIS C C 59 175.499 175.499 175.323 0.176 19710 313 1 . 1 1 59 59 HIS CA C 59 56.604 56.604 57.632 -1.027 19710 314 1 . 1 1 59 59 HIS CB C 59 30.480 30.480 31.141 -0.661 19710 315 1 . 1 1 59 59 HIS H H 59 7.875 7.875 7.938 -0.063 19710 316 1 . 1 1 60 60 MET N N 60 120.255 120.255 118.750 1.505 19710 317 1 . 1 1 60 60 MET HA H 60 4.365 4.365 4.464 -0.099 19710 318 1 . 1 1 60 60 MET CA C 60 55.643 55.643 55.230 0.413 19710 319 1 . 1 1 60 60 MET CB C 60 32.684 32.684 33.366 -0.682 19710 320 1 . 1 1 60 60 MET H H 60 7.884 7.884 7.577 0.307 19710 321 1 . 1 1 62 62 LYS HA H 62 4.301 4.301 4.342 -0.041 19710 322 1 . 1 1 62 62 LYS C C 62 176.168 176.168 175.709 0.459 19710 323 1 . 1 1 62 62 LYS CA C 62 56.312 56.312 56.283 0.029 19710 324 1 . 1 1 62 62 LYS CB C 62 32.975 32.975 32.898 0.077 19710 325 1 . 1 1 63 63 ASP N N 63 121.259 121.259 122.823 -1.564 19710 326 1 . 1 1 63 63 ASP HA H 63 4.540 4.540 4.642 -0.102 19710 327 1 . 1 1 63 63 ASP C C 63 175.024 175.024 175.809 -0.785 19710 328 1 . 1 1 63 63 ASP CA C 63 54.569 54.569 54.205 0.364 19710 329 1 . 1 1 63 63 ASP CB C 63 41.120 41.120 41.593 -0.473 19710 330 1 . 1 1 63 63 ASP H H 63 8.263 8.263 8.326 -0.063 19710 stop_ save_