data_18712 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18712 _Entry.PDB_ID 2LY7 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 18712 _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 4 4 VAL N N 4 119.125 119.125 118.848 0.277 18712 2 1 1 . 1 1 4 4 VAL HA H 4 4.070 4.070 4.105 -0.035 18712 3 1 1 . 1 1 4 4 VAL CA C 4 62.500 62.500 61.983 0.516 18712 4 1 1 . 1 1 4 4 VAL CB C 4 32.969 32.969 34.140 -1.171 18712 5 1 1 . 1 1 4 4 VAL H H 4 7.998 7.998 7.565 0.433 18712 6 1 1 . 1 1 5 5 TYR N N 5 122.640 122.640 125.703 -3.063 18712 7 1 1 . 1 1 5 5 TYR HA H 5 4.674 4.674 4.755 -0.081 18712 8 1 1 . 1 1 5 5 TYR CA C 5 58.281 58.281 57.685 0.596 18712 9 1 1 . 1 1 5 5 TYR CB C 5 38.594 38.594 37.797 0.797 18712 10 1 1 . 1 1 5 5 TYR H H 5 8.305 8.305 8.478 -0.173 18712 11 1 1 . 1 1 6 6 THR N N 6 114.861 114.861 118.018 -3.157 18712 12 1 1 . 1 1 6 6 THR HA H 6 4.548 4.548 4.507 0.041 18712 13 1 1 . 1 1 6 6 THR CA C 6 61.796 61.796 61.267 0.530 18712 14 1 1 . 1 1 6 6 THR CB C 6 70.234 70.234 69.453 0.781 18712 15 1 1 . 1 1 6 6 THR H H 6 8.003 8.003 8.274 -0.271 18712 16 1 1 . 1 1 7 7 SER N N 7 118.140 118.140 120.790 -2.650 18712 17 1 1 . 1 1 7 7 SER HA H 7 4.600 4.600 4.897 -0.297 18712 18 1 1 . 1 1 7 7 SER CA C 7 57.578 57.578 57.410 0.168 18712 19 1 1 . 1 1 7 7 SER CB C 7 64.609 64.609 64.507 0.102 18712 20 1 1 . 1 1 7 7 SER H H 7 8.487 8.487 8.176 0.311 18712 21 1 1 . 1 1 8 8 ILE N N 8 121.375 121.375 121.731 -0.356 18712 22 1 1 . 1 1 8 8 ILE HA H 8 4.627 4.627 4.149 0.478 18712 23 1 1 . 1 1 8 8 ILE CA C 8 60.390 60.390 61.103 -0.713 18712 24 1 1 . 1 1 8 8 ILE CB C 8 40.000 40.000 38.827 1.173 18712 25 1 1 . 1 1 8 8 ILE H H 8 8.139 8.139 8.194 -0.055 18712 26 1 1 . 1 1 9 9 HIS N N 9 125.734 125.734 125.694 0.040 18712 27 1 1 . 1 1 9 9 HIS HA H 9 4.768 4.768 4.694 0.074 18712 28 1 1 . 1 1 9 9 HIS CB C 9 32.617 32.617 31.527 1.090 18712 29 1 1 . 1 1 9 9 HIS H H 9 8.743 8.743 8.679 0.064 18712 30 1 1 . 1 1 10 10 ILE N N 10 125.875 125.875 122.146 3.729 18712 31 1 1 . 1 1 10 10 ILE HA H 10 4.806 4.806 4.588 0.218 18712 32 1 1 . 1 1 10 10 ILE CB C 10 39.297 39.297 38.834 0.463 18712 33 1 1 . 1 1 10 10 ILE H H 10 8.035 8.035 8.585 -0.550 18712 34 1 1 . 1 1 11 11 GLU N N 11 129.438 129.438 127.479 1.959 18712 35 1 1 . 1 1 11 11 GLU HA H 11 4.472 4.472 4.398 0.074 18712 36 1 1 . 1 1 11 11 GLU CA C 11 54.062 54.062 55.146 -1.084 18712 37 1 1 . 1 1 11 11 GLU CB C 11 32.617 32.617 32.129 0.488 18712 38 1 1 . 1 1 11 11 GLU H H 11 8.934 8.934 8.941 -0.007 18712 39 1 1 . 1 1 12 12 GLU N N 12 123.983 123.983 120.638 3.345 18712 40 1 1 . 1 1 12 12 GLU HA H 12 4.752 4.752 4.815 -0.063 18712 41 1 1 . 1 1 12 12 GLU CA C 12 54.062 54.062 55.592 -1.530 18712 42 1 1 . 1 1 12 12 GLU CB C 12 32.617 32.617 31.746 0.871 18712 43 1 1 . 1 1 12 12 GLU H H 12 8.192 8.192 8.432 -0.240 18712 44 1 1 . 1 1 13 13 TYR N N 13 122.826 122.826 123.625 -0.799 18712 45 1 1 . 1 1 13 13 TYR HA H 13 4.741 4.741 4.706 0.035 18712 46 1 1 . 1 1 13 13 TYR CB C 13 42.812 42.812 41.319 1.493 18712 47 1 1 . 1 1 13 13 TYR H H 13 8.926 8.926 8.739 0.187 18712 48 1 1 . 1 1 14 14 GLU N N 14 119.329 119.329 122.317 -2.988 18712 49 1 1 . 1 1 14 14 GLU HA H 14 5.647 5.647 4.532 1.115 18712 50 1 1 . 1 1 14 14 GLU CA C 14 54.765 54.765 55.470 -0.705 18712 51 1 1 . 1 1 14 14 GLU CB C 14 34.375 34.375 32.645 1.730 18712 52 1 1 . 1 1 14 14 GLU H H 14 8.716 8.716 8.551 0.165 18712 53 1 1 . 1 1 15 15 SER N N 15 116.172 116.172 117.122 -0.950 18712 54 1 1 . 1 1 15 15 SER HA H 15 4.616 4.616 4.637 -0.021 18712 55 1 1 . 1 1 15 15 SER CA C 15 57.578 57.578 58.723 -1.145 18712 56 1 1 . 1 1 15 15 SER CB C 15 66.015 66.015 64.388 1.627 18712 57 1 1 . 1 1 15 15 SER H H 15 8.922 8.922 8.175 0.747 18712 58 1 1 . 1 1 16 16 GLU N N 16 125.172 125.172 125.513 -0.341 18712 59 1 1 . 1 1 16 16 GLU HA H 16 5.082 5.082 4.825 0.257 18712 60 1 1 . 1 1 16 16 GLU CA C 16 54.062 54.062 53.782 0.279 18712 61 1 1 . 1 1 16 16 GLU CB C 16 32.969 32.969 33.713 -0.744 18712 62 1 1 . 1 1 16 16 GLU H H 16 8.587 8.587 8.307 0.280 18712 63 1 1 . 1 1 17 17 ALA N N 17 124.890 124.890 127.018 -2.128 18712 64 1 1 . 1 1 17 17 ALA HA H 17 4.969 4.969 4.388 0.581 18712 65 1 1 . 1 1 17 17 ALA CA C 17 50.547 50.547 51.747 -1.200 18712 66 1 1 . 1 1 17 17 ALA CB C 17 19.610 19.610 19.189 0.421 18712 67 1 1 . 1 1 17 17 ALA H H 17 9.000 9.000 8.345 0.655 18712 68 1 1 . 1 1 18 18 ARG N N 18 125.376 125.376 125.906 -0.530 18712 69 1 1 . 1 1 18 18 ARG HA H 18 5.175 5.175 4.942 0.233 18712 70 1 1 . 1 1 18 18 ARG CA C 18 54.765 54.765 55.026 -0.261 18712 71 1 1 . 1 1 18 18 ARG CB C 18 34.375 34.375 30.894 3.481 18712 72 1 1 . 1 1 18 18 ARG H H 18 9.624 9.624 7.958 1.666 18712 73 1 1 . 1 1 19 19 ASP N N 19 119.828 119.828 123.993 -4.165 18712 74 1 1 . 1 1 19 19 ASP HA H 19 4.685 4.685 4.517 0.168 18712 75 1 1 . 1 1 19 19 ASP CA C 19 55.117 55.117 54.380 0.737 18712 76 1 1 . 1 1 19 19 ASP CB C 19 41.406 41.406 41.117 0.289 18712 77 1 1 . 1 1 19 19 ASP H H 19 8.420 8.420 8.480 -0.060 18712 78 1 1 . 1 1 20 20 THR N N 20 112.948 112.948 114.225 -1.277 18712 79 1 1 . 1 1 20 20 THR HA H 20 4.979 4.979 4.383 0.596 18712 80 1 1 . 1 1 20 20 THR CA C 20 60.390 60.390 60.527 -0.137 18712 81 1 1 . 1 1 20 20 THR CB C 20 73.046 73.046 69.818 3.228 18712 82 1 1 . 1 1 20 20 THR H H 20 7.602 7.602 7.993 -0.391 18712 83 1 1 . 1 1 21 21 LYS HA H 21 4.146 4.146 4.399 -0.253 18712 84 1 1 . 1 1 21 21 LYS CA C 21 58.984 58.984 57.763 1.221 18712 85 1 1 . 1 1 21 21 LYS CB C 21 32.266 32.266 31.676 0.590 18712 86 1 1 . 1 1 22 22 LEU N N 22 117.346 117.346 120.177 -2.831 18712 87 1 1 . 1 1 22 22 LEU HA H 22 4.532 4.532 4.486 0.046 18712 88 1 1 . 1 1 22 22 LEU CA C 22 54.062 54.062 54.536 -0.474 18712 89 1 1 . 1 1 22 22 LEU CB C 22 42.812 42.812 41.760 1.052 18712 90 1 1 . 1 1 22 22 LEU H H 22 7.848 7.848 7.412 0.436 18712 91 1 1 . 1 1 23 23 GLY N N 23 108.437 108.437 109.568 -1.131 18712 92 1 1 . 1 1 23 23 GLY CA C 23 43.516 43.516 44.352 -0.836 18712 93 1 1 . 1 1 23 23 GLY H H 23 7.407 7.407 7.387 0.020 18712 94 1 1 . 1 1 24 24 PRO HA H 24 4.894 4.894 4.602 0.292 18712 95 1 1 . 1 1 24 24 PRO CA C 24 63.906 63.906 62.442 1.464 18712 96 1 1 . 1 1 24 24 PRO CB C 24 31.563 31.563 33.328 -1.765 18712 97 1 1 . 1 1 25 25 GLU N N 25 118.281 118.281 118.418 -0.137 18712 98 1 1 . 1 1 25 25 GLU HA H 25 4.621 4.621 4.391 0.230 18712 99 1 1 . 1 1 25 25 GLU CA C 25 56.523 56.523 57.246 -0.723 18712 100 1 1 . 1 1 25 25 GLU CB C 25 32.266 32.266 31.367 0.899 18712 101 1 1 . 1 1 25 25 GLU H H 25 8.341 8.341 8.986 -0.645 18712 102 1 1 . 1 1 26 26 GLU N N 26 119.406 119.406 119.297 0.109 18712 103 1 1 . 1 1 26 26 GLU HA H 26 4.710 4.710 4.476 0.234 18712 104 1 1 . 1 1 26 26 GLU CA C 26 54.765 54.765 55.834 -1.069 18712 105 1 1 . 1 1 26 26 GLU CB C 26 33.672 33.672 30.692 2.981 18712 106 1 1 . 1 1 26 26 GLU H H 26 8.336 8.336 7.792 0.544 18712 107 1 1 . 1 1 27 27 ILE N N 27 127.472 127.472 122.127 5.345 18712 108 1 1 . 1 1 27 27 ILE HA H 27 5.009 5.009 4.198 0.811 18712 109 1 1 . 1 1 27 27 ILE CA C 27 60.390 60.390 62.201 -1.811 18712 110 1 1 . 1 1 27 27 ILE CB C 27 37.187 37.187 38.696 -1.509 18712 111 1 1 . 1 1 27 27 ILE H H 27 8.405 8.405 8.509 -0.104 18712 112 1 1 . 1 1 28 28 THR N N 28 124.387 124.387 123.206 1.181 18712 113 1 1 . 1 1 28 28 THR HA H 28 4.492 4.492 4.663 -0.171 18712 114 1 1 . 1 1 28 28 THR CA C 28 59.687 59.687 60.363 -0.676 18712 115 1 1 . 1 1 28 28 THR CB C 28 68.125 68.125 71.126 -3.001 18712 116 1 1 . 1 1 28 28 THR H H 28 8.191 8.191 8.484 -0.293 18712 117 1 1 . 1 1 29 29 ARG N N 29 120.568 120.568 120.318 0.250 18712 118 1 1 . 1 1 29 29 ARG HA H 29 4.202 4.202 4.649 -0.447 18712 119 1 1 . 1 1 29 29 ARG CA C 29 55.468 55.468 55.288 0.180 18712 120 1 1 . 1 1 29 29 ARG CB C 29 32.266 32.266 31.325 0.942 18712 121 1 1 . 1 1 29 29 ARG H H 29 7.995 7.995 8.423 -0.428 18712 122 1 1 . 1 1 30 30 ASP N N 30 123.906 123.906 123.537 0.369 18712 123 1 1 . 1 1 30 30 ASP HA H 30 4.619 4.619 4.725 -0.106 18712 124 1 1 . 1 1 30 30 ASP CA C 30 53.359 53.359 53.812 -0.453 18712 125 1 1 . 1 1 30 30 ASP CB C 30 38.594 38.594 42.210 -3.616 18712 126 1 1 . 1 1 30 30 ASP H H 30 8.784 8.784 8.713 0.071 18712 127 1 1 . 1 1 31 31 ILE N N 31 123.422 123.422 123.020 0.402 18712 128 1 1 . 1 1 31 31 ILE HA H 31 4.063 4.063 4.438 -0.375 18712 129 1 1 . 1 1 31 31 ILE CA C 31 57.578 57.578 56.771 0.807 18712 130 1 1 . 1 1 31 31 ILE CB C 31 40.703 40.703 37.218 3.485 18712 131 1 1 . 1 1 31 31 ILE H H 31 7.404 7.404 8.070 -0.666 18712 132 1 1 . 1 1 32 32 PRO HA H 32 4.273 4.273 4.523 -0.250 18712 133 1 1 . 1 1 32 32 PRO CA C 32 63.554 63.554 63.018 0.536 18712 134 1 1 . 1 1 32 32 PRO CB C 32 32.266 32.266 32.498 -0.232 18712 135 1 1 . 1 1 33 33 ASN N N 33 114.027 114.027 115.260 -1.233 18712 136 1 1 . 1 1 33 33 ASN HA H 33 4.269 4.269 4.344 -0.075 18712 137 1 1 . 1 1 33 33 ASN CA C 33 55.117 55.117 53.863 1.254 18712 138 1 1 . 1 1 33 33 ASN CB C 33 37.891 37.891 36.962 0.929 18712 139 1 1 . 1 1 33 33 ASN H H 33 8.880 8.880 8.637 0.243 18712 140 1 1 . 1 1 34 34 VAL N N 34 117.111 117.111 119.982 -2.871 18712 141 1 1 . 1 1 34 34 VAL HA H 34 4.249 4.249 4.252 -0.003 18712 142 1 1 . 1 1 34 34 VAL CA C 34 62.148 62.148 61.589 0.559 18712 143 1 1 . 1 1 34 34 VAL CB C 34 33.672 33.672 33.092 0.580 18712 144 1 1 . 1 1 34 34 VAL H H 34 7.328 7.328 7.594 -0.266 18712 145 1 1 . 1 1 35 35 GLY N N 35 113.600 113.600 110.974 2.626 18712 146 1 1 . 1 1 35 35 GLY CA C 35 44.219 44.219 44.120 0.099 18712 147 1 1 . 1 1 35 35 GLY H H 35 8.653 8.653 8.273 0.380 18712 148 1 1 . 1 1 36 36 GLU N N 36 118.562 118.562 119.406 -0.844 18712 149 1 1 . 1 1 36 36 GLU HA H 36 3.888 3.888 4.069 -0.181 18712 150 1 1 . 1 1 36 36 GLU CA C 36 59.687 59.687 58.567 1.120 18712 151 1 1 . 1 1 36 36 GLU CB C 36 29.453 29.453 29.349 0.104 18712 152 1 1 . 1 1 36 36 GLU H H 36 8.457 8.457 8.599 -0.142 18712 153 1 1 . 1 1 37 37 ASP N N 37 118.140 118.140 117.755 0.385 18712 154 1 1 . 1 1 37 37 ASP HA H 37 4.335 4.335 4.470 -0.135 18712 155 1 1 . 1 1 37 37 ASP CA C 37 56.875 56.875 55.510 1.365 18712 156 1 1 . 1 1 37 37 ASP CB C 37 40.000 40.000 40.419 -0.419 18712 157 1 1 . 1 1 37 37 ASP H H 37 8.728 8.728 8.259 0.469 18712 158 1 1 . 1 1 38 38 ALA N N 38 120.752 120.752 121.458 -0.706 18712 159 1 1 . 1 1 38 38 ALA HA H 38 4.288 4.288 4.412 -0.124 18712 160 1 1 . 1 1 38 38 ALA CA C 38 53.359 53.359 54.301 -0.942 18712 161 1 1 . 1 1 38 38 ALA CB C 38 18.555 18.555 18.744 -0.189 18712 162 1 1 . 1 1 38 38 ALA H H 38 7.642 7.642 8.181 -0.539 18712 163 1 1 . 1 1 39 39 LEU N N 39 117.015 117.015 111.359 5.656 18712 164 1 1 . 1 1 39 39 LEU HA H 39 4.295 4.295 4.594 -0.299 18712 165 1 1 . 1 1 39 39 LEU CA C 39 54.765 54.765 54.086 0.679 18712 166 1 1 . 1 1 39 39 LEU CB C 39 43.164 43.164 40.914 2.250 18712 167 1 1 . 1 1 39 39 LEU H H 39 7.446 7.446 7.081 0.365 18712 168 1 1 . 1 1 40 40 ARG N N 40 118.017 118.017 119.564 -1.547 18712 169 1 1 . 1 1 40 40 ARG HA H 40 4.064 4.064 4.139 -0.075 18712 170 1 1 . 1 1 40 40 ARG CA C 40 59.687 59.687 58.497 1.190 18712 171 1 1 . 1 1 40 40 ARG CB C 40 30.508 30.508 30.443 0.065 18712 172 1 1 . 1 1 40 40 ARG H H 40 7.079 7.079 7.708 -0.629 18712 173 1 1 . 1 1 41 41 ASN N N 41 115.439 115.439 116.311 -0.872 18712 174 1 1 . 1 1 41 41 ASN HA H 41 4.996 4.996 4.799 0.197 18712 175 1 1 . 1 1 41 41 ASN CA C 41 53.359 53.359 53.383 -0.024 18712 176 1 1 . 1 1 41 41 ASN CB C 41 39.297 39.297 39.110 0.187 18712 177 1 1 . 1 1 41 41 ASN H H 41 9.057 9.057 8.209 0.848 18712 178 1 1 . 1 1 42 42 LEU N N 42 118.703 118.703 121.410 -2.707 18712 179 1 1 . 1 1 42 42 LEU HA H 42 4.403 4.403 4.160 0.243 18712 180 1 1 . 1 1 42 42 LEU CA C 42 54.062 54.062 56.242 -2.180 18712 181 1 1 . 1 1 42 42 LEU CB C 42 42.812 42.812 42.755 0.057 18712 182 1 1 . 1 1 42 42 LEU H H 42 7.719 7.719 7.913 -0.194 18712 183 1 1 . 1 1 43 43 ASP N N 43 122.791 122.791 125.403 -2.612 18712 184 1 1 . 1 1 43 43 ASP HA H 43 4.481 4.481 4.691 -0.210 18712 185 1 1 . 1 1 43 43 ASP CA C 43 52.656 52.656 51.945 0.711 18712 186 1 1 . 1 1 43 43 ASP CB C 43 39.648 39.648 41.581 -1.933 18712 187 1 1 . 1 1 43 43 ASP H H 43 8.933 8.933 8.192 0.741 18712 188 1 1 . 1 1 44 44 ASP N N 44 114.917 114.917 118.296 -3.379 18712 189 1 1 . 1 1 44 44 ASP HA H 44 4.278 4.278 4.423 -0.145 18712 190 1 1 . 1 1 44 44 ASP CA C 44 56.875 56.875 56.474 0.401 18712 191 1 1 . 1 1 44 44 ASP CB C 44 40.000 40.000 40.705 -0.705 18712 192 1 1 . 1 1 44 44 ASP H H 44 8.281 8.281 8.620 -0.339 18712 193 1 1 . 1 1 45 45 ARG N N 45 118.140 118.140 116.826 1.314 18712 194 1 1 . 1 1 45 45 ARG HA H 45 4.366 4.366 4.327 0.039 18712 195 1 1 . 1 1 45 45 ARG CA C 45 55.117 55.117 56.248 -1.131 18712 196 1 1 . 1 1 45 45 ARG CB C 45 30.859 30.859 30.633 0.226 18712 197 1 1 . 1 1 45 45 ARG H H 45 8.500 8.500 8.351 0.149 18712 198 1 1 . 1 1 46 46 GLY N N 46 101.828 101.828 107.250 -5.422 18712 199 1 1 . 1 1 46 46 GLY CA C 46 45.273 45.273 45.125 0.148 18712 200 1 1 . 1 1 46 46 GLY H H 46 7.680 7.680 8.084 -0.404 18712 201 1 1 . 1 1 47 47 VAL N N 47 119.955 119.955 118.767 1.188 18712 202 1 1 . 1 1 47 47 VAL HA H 47 4.406 4.406 4.566 -0.160 18712 203 1 1 . 1 1 47 47 VAL CA C 47 61.796 61.796 59.065 2.731 18712 204 1 1 . 1 1 47 47 VAL CB C 47 33.672 33.672 34.724 -1.052 18712 205 1 1 . 1 1 47 47 VAL H H 47 8.007 8.007 8.101 -0.094 18712 206 1 1 . 1 1 48 48 ILE N N 48 128.406 128.406 127.403 1.003 18712 207 1 1 . 1 1 48 48 ILE HA H 48 4.202 4.202 4.015 0.187 18712 208 1 1 . 1 1 48 48 ILE CA C 48 59.687 59.687 61.013 -1.326 18712 209 1 1 . 1 1 48 48 ILE CB C 48 38.945 38.945 36.526 2.418 18712 210 1 1 . 1 1 48 48 ILE H H 48 8.145 8.145 7.971 0.174 18712 211 1 1 . 1 1 49 49 ARG N N 49 123.765 123.765 126.704 -2.939 18712 212 1 1 . 1 1 49 49 ARG HA H 49 4.328 4.328 4.270 0.058 18712 213 1 1 . 1 1 49 49 ARG CA C 49 56.875 56.875 55.767 1.108 18712 214 1 1 . 1 1 49 49 ARG CB C 49 31.563 31.563 31.722 -0.159 18712 215 1 1 . 1 1 49 49 ARG H H 49 7.447 7.447 8.406 -0.959 18712 216 1 1 . 1 1 50 50 ILE N N 50 121.094 121.094 120.704 0.390 18712 217 1 1 . 1 1 50 50 ILE HA H 50 3.414 3.414 3.790 -0.376 18712 218 1 1 . 1 1 50 50 ILE CA C 50 64.609 64.609 61.578 3.031 18712 219 1 1 . 1 1 50 50 ILE H H 50 8.284 8.284 8.215 0.069 18712 220 1 1 . 1 1 51 51 GLY N N 51 115.791 115.791 113.089 2.702 18712 221 1 1 . 1 1 51 51 GLY CA C 51 44.922 44.922 45.235 -0.313 18712 222 1 1 . 1 1 51 51 GLY H H 51 8.679 8.679 8.948 -0.269 18712 223 1 1 . 1 1 52 52 ALA N N 52 122.065 122.065 122.474 -0.409 18712 224 1 1 . 1 1 52 52 ALA HA H 52 4.246 4.246 4.644 -0.398 18712 225 1 1 . 1 1 52 52 ALA CA C 52 52.656 52.656 50.654 2.002 18712 226 1 1 . 1 1 52 52 ALA CB C 52 18.906 18.906 20.514 -1.608 18712 227 1 1 . 1 1 52 52 ALA H H 52 7.496 7.496 7.560 -0.064 18712 228 1 1 . 1 1 53 53 GLU N N 53 121.468 121.468 121.882 -0.414 18712 229 1 1 . 1 1 53 53 GLU HA H 53 4.892 4.892 4.209 0.683 18712 230 1 1 . 1 1 53 53 GLU CB C 53 30.508 30.508 30.404 0.104 18712 231 1 1 . 1 1 53 53 GLU H H 53 8.427 8.427 8.568 -0.141 18712 232 1 1 . 1 1 54 54 VAL N N 54 117.437 117.437 119.153 -1.716 18712 233 1 1 . 1 1 54 54 VAL HA H 54 4.979 4.979 4.199 0.780 18712 234 1 1 . 1 1 54 54 VAL CA C 54 58.632 58.632 60.660 -2.028 18712 235 1 1 . 1 1 54 54 VAL CB C 54 35.781 35.781 34.624 1.157 18712 236 1 1 . 1 1 54 54 VAL H H 54 9.002 9.002 8.302 0.700 18712 237 1 1 . 1 1 55 55 LYS N N 55 123.906 123.906 123.810 0.096 18712 238 1 1 . 1 1 55 55 LYS HA H 55 4.698 4.698 4.562 0.136 18712 239 1 1 . 1 1 55 55 LYS CA C 55 53.359 53.359 54.255 -0.896 18712 240 1 1 . 1 1 55 55 LYS CB C 55 35.781 35.781 34.420 1.361 18712 241 1 1 . 1 1 55 55 LYS H H 55 9.244 9.244 8.063 1.181 18712 242 1 1 . 1 1 56 56 ASP N N 56 118.562 118.562 121.135 -2.573 18712 243 1 1 . 1 1 56 56 ASP HA H 56 3.764 3.764 4.406 -0.642 18712 244 1 1 . 1 1 56 56 ASP CA C 56 56.172 56.172 56.195 -0.023 18712 245 1 1 . 1 1 56 56 ASP CB C 56 40.000 40.000 40.963 -0.963 18712 246 1 1 . 1 1 56 56 ASP H H 56 8.176 8.176 8.666 -0.490 18712 247 1 1 . 1 1 57 57 GLY N N 57 112.515 112.515 113.830 -1.315 18712 248 1 1 . 1 1 57 57 GLY CA C 57 45.625 45.625 45.333 0.292 18712 249 1 1 . 1 1 57 57 GLY H H 57 8.841 8.841 8.360 0.481 18712 250 1 1 . 1 1 58 58 ASP N N 58 121.375 121.375 121.678 -0.303 18712 251 1 1 . 1 1 58 58 ASP HA H 58 4.532 4.532 4.854 -0.322 18712 252 1 1 . 1 1 58 58 ASP CA C 58 54.765 54.765 52.813 1.952 18712 253 1 1 . 1 1 58 58 ASP CB C 58 41.055 41.055 40.959 0.096 18712 254 1 1 . 1 1 58 58 ASP H H 58 8.209 8.209 7.750 0.459 18712 255 1 1 . 1 1 59 59 LEU N N 59 119.828 119.828 123.408 -3.580 18712 256 1 1 . 1 1 59 59 LEU HA H 59 3.976 3.976 4.220 -0.244 18712 257 1 1 . 1 1 59 59 LEU CA C 59 56.875 56.875 55.466 1.409 18712 258 1 1 . 1 1 59 59 LEU CB C 59 44.219 44.219 42.552 1.667 18712 259 1 1 . 1 1 59 59 LEU H H 59 8.570 8.570 8.147 0.423 18712 260 1 1 . 1 1 60 60 LEU N N 60 116.594 116.594 112.375 4.219 18712 261 1 1 . 1 1 60 60 LEU HA H 60 4.518 4.518 3.950 0.568 18712 262 1 1 . 1 1 60 60 LEU CB C 60 44.922 44.922 39.825 5.096 18712 263 1 1 . 1 1 60 60 LEU H H 60 8.816 8.816 7.485 1.331 18712 264 1 1 . 1 1 61 61 VAL N N 61 115.656 115.656 115.915 -0.259 18712 265 1 1 . 1 1 61 61 VAL HA H 61 4.618 4.618 4.305 0.313 18712 266 1 1 . 1 1 61 61 VAL CA C 61 61.093 61.093 60.988 0.105 18712 267 1 1 . 1 1 61 61 VAL CB C 61 36.484 36.484 35.454 1.030 18712 268 1 1 . 1 1 61 61 VAL H H 61 7.322 7.322 7.373 -0.051 18712 269 1 1 . 1 1 62 62 GLY N N 62 117.191 117.191 112.603 4.588 18712 270 1 1 . 1 1 62 62 GLY CA C 62 45.625 45.625 44.521 1.104 18712 271 1 1 . 1 1 62 62 GLY H H 62 9.563 9.563 8.341 1.222 18712 272 1 1 . 1 1 63 63 LYS N N 63 127.584 127.584 127.456 0.128 18712 273 1 1 . 1 1 63 63 LYS HA H 63 5.328 5.328 4.739 0.589 18712 274 1 1 . 1 1 63 63 LYS CA C 63 56.172 56.172 55.371 0.801 18712 275 1 1 . 1 1 63 63 LYS CB C 63 35.078 35.078 35.738 -0.660 18712 276 1 1 . 1 1 63 63 LYS H H 63 8.712 8.712 8.799 -0.087 18712 277 1 1 . 1 1 64 64 VAL N N 64 114.383 114.383 122.962 -8.579 18712 278 1 1 . 1 1 64 64 VAL HA H 64 5.523 5.523 5.086 0.437 18712 279 1 1 . 1 1 64 64 VAL CA C 64 57.578 57.578 60.352 -2.774 18712 280 1 1 . 1 1 64 64 VAL CB C 64 35.781 35.781 34.939 0.842 18712 281 1 1 . 1 1 64 64 VAL H H 64 8.481 8.481 7.981 0.500 18712 282 1 1 . 1 1 65 65 THR N N 65 118.431 118.431 116.304 2.127 18712 283 1 1 . 1 1 65 65 THR HA H 65 4.602 4.602 4.910 -0.308 18712 284 1 1 . 1 1 65 65 THR CA C 65 59.687 59.687 58.537 1.150 18712 285 1 1 . 1 1 65 65 THR CB C 65 72.343 72.343 68.812 3.531 18712 286 1 1 . 1 1 65 65 THR H H 65 8.637 8.637 8.014 0.623 18712 287 1 1 . 1 1 66 66 PRO HA H 66 4.557 4.557 4.441 0.116 18712 288 1 1 . 1 1 66 66 PRO CA C 66 63.906 63.906 62.784 1.122 18712 289 1 1 . 1 1 66 66 PRO CB C 66 32.969 32.969 32.484 0.485 18712 290 1 1 . 1 1 67 67 LYS N N 67 122.359 122.359 121.912 0.447 18712 291 1 1 . 1 1 67 67 LYS HA H 67 4.391 4.391 4.501 -0.110 18712 292 1 1 . 1 1 67 67 LYS CA C 67 56.172 56.172 55.088 1.084 18712 293 1 1 . 1 1 67 67 LYS CB C 67 35.078 35.078 34.236 0.842 18712 294 1 1 . 1 1 67 67 LYS H H 67 8.371 8.371 7.728 0.643 18712 295 1 1 . 1 1 68 68 GLY N N 68 109.563 109.563 108.064 1.499 18712 296 1 1 . 1 1 68 68 GLY CA C 68 44.922 44.922 44.386 0.536 18712 297 1 1 . 1 1 68 68 GLY H H 68 8.583 8.583 8.028 0.555 18712 298 1 1 . 1 1 69 69 VAL N N 69 118.378 118.378 118.261 0.117 18712 299 1 1 . 1 1 69 69 VAL HA H 69 4.032 4.032 4.018 0.014 18712 300 1 1 . 1 1 69 69 VAL CA C 69 63.203 63.203 65.751 -2.548 18712 301 1 1 . 1 1 69 69 VAL CB C 69 32.266 32.266 32.220 0.046 18712 302 1 1 . 1 1 69 69 VAL H H 69 8.235 8.235 8.424 -0.189 18712 303 1 1 . 1 1 70 70 THR N N 70 114.484 114.484 115.115 -0.631 18712 304 1 1 . 1 1 70 70 THR HA H 70 4.281 4.281 4.097 0.184 18712 305 1 1 . 1 1 70 70 THR CA C 70 62.500 62.500 64.655 -2.155 18712 306 1 1 . 1 1 70 70 THR CB C 70 69.531 69.531 68.741 0.790 18712 307 1 1 . 1 1 70 70 THR H H 70 8.085 8.085 7.982 0.103 18712 308 1 1 . 1 1 71 71 GLU N N 71 121.656 121.656 118.339 3.317 18712 309 1 1 . 1 1 71 71 GLU HA H 71 4.325 4.325 4.158 0.167 18712 310 1 1 . 1 1 71 71 GLU CA C 71 56.172 56.172 57.441 -1.268 18712 311 1 1 . 1 1 71 71 GLU CB C 71 30.859 30.859 29.149 1.710 18712 312 1 1 . 1 1 71 71 GLU H H 71 8.175 8.175 8.369 -0.194 18712 313 1 1 . 1 1 72 72 LEU N N 72 122.219 122.219 118.789 3.430 18712 314 1 1 . 1 1 72 72 LEU HA H 72 4.534 4.534 4.143 0.391 18712 315 1 1 . 1 1 72 72 LEU CA C 72 54.765 54.765 55.467 -0.702 18712 316 1 1 . 1 1 72 72 LEU CB C 72 42.812 42.812 42.367 0.445 18712 317 1 1 . 1 1 72 72 LEU H H 72 7.770 7.770 7.489 0.281 18712 318 1 1 . 1 1 73 73 THR N N 73 114.407 114.407 112.826 1.581 18712 319 1 1 . 1 1 73 73 THR HA H 73 4.405 4.405 4.459 -0.054 18712 320 1 1 . 1 1 73 73 THR CA C 73 61.093 61.093 60.485 0.608 18712 321 1 1 . 1 1 73 73 THR CB C 73 70.937 70.937 71.174 -0.237 18712 322 1 1 . 1 1 73 73 THR H H 73 8.869 8.869 7.912 0.957 18712 323 1 1 . 1 1 74 74 ALA N N 74 123.782 123.782 123.355 0.427 18712 324 1 1 . 1 1 74 74 ALA HA H 74 4.026 4.026 4.133 -0.107 18712 325 1 1 . 1 1 74 74 ALA CA C 74 55.468 55.468 54.922 0.546 18712 326 1 1 . 1 1 74 74 ALA CB C 74 18.203 18.203 18.555 -0.352 18712 327 1 1 . 1 1 74 74 ALA H H 74 8.831 8.831 8.712 0.119 18712 328 1 1 . 1 1 75 75 GLU N N 75 117.578 117.578 117.484 0.094 18712 329 1 1 . 1 1 75 75 GLU HA H 75 4.043 4.043 4.038 0.005 18712 330 1 1 . 1 1 75 75 GLU CA C 75 59.687 59.687 59.294 0.393 18712 331 1 1 . 1 1 75 75 GLU CB C 75 29.453 29.453 29.025 0.428 18712 332 1 1 . 1 1 75 75 GLU H H 75 8.637 8.637 8.207 0.430 18712 333 1 1 . 1 1 76 76 GLU N N 76 120.042 120.042 118.489 1.553 18712 334 1 1 . 1 1 76 76 GLU HA H 76 4.010 4.010 4.156 -0.146 18712 335 1 1 . 1 1 76 76 GLU CA C 76 58.281 58.281 58.897 -0.616 18712 336 1 1 . 1 1 76 76 GLU CB C 76 30.859 30.859 29.333 1.526 18712 337 1 1 . 1 1 76 76 GLU H H 76 7.847 7.847 7.794 0.053 18712 338 1 1 . 1 1 77 77 ARG N N 77 119.687 119.687 118.434 1.253 18712 339 1 1 . 1 1 77 77 ARG HA H 77 3.975 3.975 4.145 -0.170 18712 340 1 1 . 1 1 77 77 ARG CA C 77 58.984 58.984 58.886 0.098 18712 341 1 1 . 1 1 77 77 ARG CB C 77 30.156 30.156 30.080 0.076 18712 342 1 1 . 1 1 77 77 ARG H H 77 8.452 8.452 7.431 1.021 18712 343 1 1 . 1 1 78 78 LEU N N 78 120.250 120.250 119.245 1.005 18712 344 1 1 . 1 1 78 78 LEU HA H 78 4.210 4.210 4.333 -0.123 18712 345 1 1 . 1 1 78 78 LEU CA C 78 56.875 56.875 57.660 -0.785 18712 346 1 1 . 1 1 78 78 LEU CB C 78 42.109 42.109 41.666 0.443 18712 347 1 1 . 1 1 78 78 LEU H H 78 7.685 7.685 7.725 -0.040 18712 348 1 1 . 1 1 79 79 LEU N N 79 119.265 119.265 120.271 -1.006 18712 349 1 1 . 1 1 79 79 LEU HA H 79 4.208 4.208 4.079 0.129 18712 350 1 1 . 1 1 79 79 LEU CA C 79 56.875 56.875 57.088 -0.213 18712 351 1 1 . 1 1 79 79 LEU CB C 79 42.109 42.109 41.183 0.926 18712 352 1 1 . 1 1 79 79 LEU H H 79 7.679 7.679 7.907 -0.228 18712 353 1 1 . 1 1 80 80 HIS N N 80 118.348 118.348 119.607 -1.259 18712 354 1 1 . 1 1 80 80 HIS HA H 80 4.422 4.422 4.261 0.161 18712 355 1 1 . 1 1 80 80 HIS CA C 80 57.578 57.578 59.915 -2.337 18712 356 1 1 . 1 1 80 80 HIS CB C 80 30.156 30.156 29.495 0.661 18712 357 1 1 . 1 1 80 80 HIS H H 80 8.127 8.127 7.784 0.343 18712 358 1 1 . 1 1 81 81 ALA N N 81 122.359 122.359 120.752 1.607 18712 359 1 1 . 1 1 81 81 ALA HA H 81 4.204 4.204 4.047 0.157 18712 360 1 1 . 1 1 81 81 ALA CA C 81 54.062 54.062 54.009 0.053 18712 361 1 1 . 1 1 81 81 ALA CB C 81 18.906 18.906 18.307 0.599 18712 362 1 1 . 1 1 81 81 ALA H H 81 7.908 7.908 7.694 0.214 18712 363 1 1 . 1 1 82 82 ILE N N 82 117.705 117.705 117.806 -0.101 18712 364 1 1 . 1 1 82 82 ILE HA H 82 3.972 3.972 3.964 0.008 18712 365 1 1 . 1 1 82 82 ILE CA C 82 62.500 62.500 63.220 -0.720 18712 366 1 1 . 1 1 82 82 ILE CB C 82 38.594 38.594 37.567 1.027 18712 367 1 1 . 1 1 82 82 ILE H H 82 7.780 7.780 7.459 0.321 18712 368 1 1 . 1 1 83 83 PHE N N 83 120.528 120.528 119.109 1.419 18712 369 1 1 . 1 1 83 83 PHE HA H 83 4.633 4.633 4.498 0.135 18712 370 1 1 . 1 1 83 83 PHE CA C 83 58.281 58.281 59.680 -1.399 18712 371 1 1 . 1 1 83 83 PHE CB C 83 40.000 40.000 40.250 -0.250 18712 372 1 1 . 1 1 83 83 PHE H H 83 8.227 8.227 8.615 -0.388 18712 373 1 1 . 1 1 84 84 GLY N N 84 110.328 110.328 106.816 3.512 18712 374 1 1 . 1 1 84 84 GLY CA C 84 45.625 45.625 45.260 0.365 18712 375 1 1 . 1 1 84 84 GLY H H 84 8.157 8.157 8.122 0.035 18712 376 1 1 . 1 1 85 85 GLU N N 85 120.975 120.975 118.407 2.568 18712 377 1 1 . 1 1 85 85 GLU HA H 85 4.234 4.234 4.693 -0.459 18712 378 1 1 . 1 1 85 85 GLU CA C 85 57.226 57.226 54.825 2.401 18712 379 1 1 . 1 1 85 85 GLU CB C 85 30.156 30.156 31.763 -1.607 18712 380 1 1 . 1 1 85 85 GLU H H 85 8.374 8.374 8.094 0.280 18712 381 1 1 . 1 1 86 86 LYS N N 86 121.202 121.202 123.494 -2.292 18712 382 1 1 . 1 1 86 86 LYS HA H 86 4.291 4.291 4.247 0.044 18712 383 1 1 . 1 1 86 86 LYS CA C 86 56.172 56.172 57.455 -1.283 18712 384 1 1 . 1 1 86 86 LYS CB C 86 32.969 32.969 32.787 0.182 18712 385 1 1 . 1 1 86 86 LYS H H 86 8.230 8.230 8.736 -0.506 18712 386 1 1 . 1 1 87 87 ALA N N 87 124.596 124.596 124.614 -0.018 18712 387 1 1 . 1 1 87 87 ALA HA H 87 4.236 4.236 4.614 -0.378 18712 388 1 1 . 1 1 87 87 ALA CA C 87 52.656 52.656 51.419 1.237 18712 389 1 1 . 1 1 87 87 ALA CB C 87 19.610 19.610 20.555 -0.945 18712 390 1 1 . 1 1 87 87 ALA H H 87 8.179 8.179 8.482 -0.303 18712 391 1 1 . 1 1 88 88 ARG N N 88 120.688 120.688 123.856 -3.168 18712 392 1 1 . 1 1 88 88 ARG HA H 88 4.344 4.344 4.201 0.143 18712 393 1 1 . 1 1 88 88 ARG CA C 88 56.172 56.172 56.506 -0.334 18712 394 1 1 . 1 1 88 88 ARG CB C 88 30.859 30.859 30.487 0.372 18712 395 1 1 . 1 1 88 88 ARG H H 88 8.274 8.274 8.407 -0.133 18712 396 1 1 . 1 1 89 89 GLU N N 89 124.469 124.469 124.694 -0.225 18712 397 1 1 . 1 1 89 89 GLU HA H 89 4.575 4.575 4.587 -0.012 18712 398 1 1 . 1 1 89 89 GLU CA C 89 55.468 55.468 55.690 -0.222 18712 399 1 1 . 1 1 89 89 GLU CB C 89 30.156 30.156 31.736 -1.580 18712 400 1 1 . 1 1 89 89 GLU H H 89 8.632 8.632 8.616 0.016 18712 401 1 1 . 1 1 90 90 VAL N N 90 114.440 114.440 118.432 -3.992 18712 402 1 1 . 1 1 90 90 VAL HA H 90 5.047 5.047 4.700 0.347 18712 403 1 1 . 1 1 90 90 VAL CA C 90 58.984 58.984 59.080 -0.095 18712 404 1 1 . 1 1 90 90 VAL CB C 90 36.484 36.484 34.486 1.998 18712 405 1 1 . 1 1 90 90 VAL H H 90 8.246 8.246 8.413 -0.167 18712 406 1 1 . 1 1 91 91 ARG N N 91 118.602 118.602 121.116 -2.514 18712 407 1 1 . 1 1 91 91 ARG HA H 91 4.771 4.771 4.659 0.112 18712 408 1 1 . 1 1 91 91 ARG CB C 91 33.672 33.672 32.975 0.697 18712 409 1 1 . 1 1 91 91 ARG H H 91 9.062 9.062 8.305 0.757 18712 410 1 1 . 1 1 92 92 ASP N N 92 121.656 121.656 122.671 -1.015 18712 411 1 1 . 1 1 92 92 ASP HA H 92 4.754 4.754 4.691 0.063 18712 412 1 1 . 1 1 92 92 ASP CB C 92 41.406 41.406 40.020 1.386 18712 413 1 1 . 1 1 92 92 ASP H H 92 8.770 8.770 8.570 0.200 18712 414 1 1 . 1 1 93 93 THR N N 93 124.654 124.654 113.427 11.227 18712 415 1 1 . 1 1 93 93 THR HA H 93 4.586 4.586 4.429 0.157 18712 416 1 1 . 1 1 93 93 THR CA C 93 60.390 60.390 61.104 -0.714 18712 417 1 1 . 1 1 93 93 THR CB C 93 66.718 66.718 69.180 -2.462 18712 418 1 1 . 1 1 93 93 THR H H 93 9.253 9.253 7.943 1.310 18712 419 1 1 . 1 1 94 94 SER N N 94 117.437 117.437 117.733 -0.296 18712 420 1 1 . 1 1 94 94 SER HA H 94 4.455 4.455 4.347 0.108 18712 421 1 1 . 1 1 94 94 SER CA C 94 60.390 60.390 59.279 1.111 18712 422 1 1 . 1 1 94 94 SER CB C 94 63.906 63.906 64.191 -0.285 18712 423 1 1 . 1 1 94 94 SER H H 94 8.564 8.564 7.732 0.832 18712 424 1 1 . 1 1 95 95 LEU N N 95 125.594 125.594 118.316 7.278 18712 425 1 1 . 1 1 95 95 LEU HA H 95 4.684 4.684 4.583 0.101 18712 426 1 1 . 1 1 95 95 LEU CB C 95 43.516 43.516 43.125 0.391 18712 427 1 1 . 1 1 95 95 LEU H H 95 8.964 8.964 8.180 0.784 18712 428 1 1 . 1 1 96 96 ARG N N 96 128.669 128.669 120.958 7.711 18712 429 1 1 . 1 1 96 96 ARG HA H 96 5.061 5.061 4.631 0.430 18712 430 1 1 . 1 1 96 96 ARG CA C 96 54.062 54.062 55.510 -1.448 18712 431 1 1 . 1 1 96 96 ARG CB C 96 34.375 34.375 30.991 3.384 18712 432 1 1 . 1 1 96 96 ARG H H 96 8.709 8.709 8.245 0.464 18712 433 1 1 . 1 1 97 97 VAL N N 97 121.375 121.375 123.953 -2.578 18712 434 1 1 . 1 1 97 97 VAL HA H 97 3.386 3.386 4.588 -1.202 18712 435 1 1 . 1 1 97 97 VAL CA C 97 61.093 61.093 58.468 2.626 18712 436 1 1 . 1 1 97 97 VAL CB C 97 32.266 32.266 34.526 -2.260 18712 437 1 1 . 1 1 97 97 VAL H H 97 8.745 8.745 8.538 0.207 18712 438 1 1 . 1 1 98 98 PRO HA H 98 4.543 4.543 4.629 -0.086 18712 439 1 1 . 1 1 98 98 PRO CA C 98 62.500 62.500 62.372 0.128 18712 440 1 1 . 1 1 98 98 PRO CB C 98 32.969 32.969 32.441 0.528 18712 441 1 1 . 1 1 99 99 HIS N N 99 118.140 118.140 116.982 1.158 18712 442 1 1 . 1 1 99 99 HIS HA H 99 4.272 4.272 4.541 -0.269 18712 443 1 1 . 1 1 99 99 HIS CA C 99 58.281 58.281 57.078 1.203 18712 444 1 1 . 1 1 99 99 HIS CB C 99 30.156 30.156 29.592 0.564 18712 445 1 1 . 1 1 99 99 HIS H H 99 8.368 8.368 8.508 -0.140 18712 446 1 1 . 1 1 100 100 GLY N N 100 116.101 116.101 114.578 1.523 18712 447 1 1 . 1 1 100 100 GLY CA C 100 45.625 45.625 45.264 0.361 18712 448 1 1 . 1 1 100 100 GLY H H 100 9.411 9.411 8.814 0.597 18712 449 1 1 . 1 1 101 101 GLY N N 101 108.798 108.798 110.130 -1.332 18712 450 1 1 . 1 1 101 101 GLY CA C 101 45.625 45.625 45.054 0.571 18712 451 1 1 . 1 1 101 101 GLY H H 101 8.399 8.399 7.789 0.610 18712 452 1 1 . 1 1 102 102 GLY N N 102 105.967 105.967 107.855 -1.888 18712 453 1 1 . 1 1 102 102 GLY CA C 102 45.625 45.625 45.380 0.245 18712 454 1 1 . 1 1 102 102 GLY H H 102 8.310 8.310 7.724 0.586 18712 455 1 1 . 1 1 103 103 GLY N N 103 107.574 107.574 106.973 0.601 18712 456 1 1 . 1 1 103 103 GLY CA C 103 46.328 46.328 43.735 2.593 18712 457 1 1 . 1 1 103 103 GLY H H 103 8.075 8.075 7.131 0.944 18712 458 1 1 . 1 1 104 104 ILE N N 104 122.219 122.219 118.677 3.542 18712 459 1 1 . 1 1 104 104 ILE HA H 104 5.075 5.075 4.378 0.697 18712 460 1 1 . 1 1 104 104 ILE CA C 104 58.281 58.281 60.139 -1.858 18712 461 1 1 . 1 1 104 104 ILE CB C 104 40.703 40.703 42.569 -1.866 18712 462 1 1 . 1 1 104 104 ILE H H 104 8.269 8.269 7.595 0.674 18712 463 1 1 . 1 1 105 105 ILE N N 105 124.237 124.237 124.859 -0.622 18712 464 1 1 . 1 1 105 105 ILE HA H 105 4.312 4.312 4.291 0.021 18712 465 1 1 . 1 1 105 105 ILE CA C 105 60.390 60.390 61.022 -0.632 18712 466 1 1 . 1 1 105 105 ILE CB C 105 34.375 34.375 34.939 -0.564 18712 467 1 1 . 1 1 105 105 ILE H H 105 8.965 8.965 8.384 0.581 18712 468 1 1 . 1 1 106 106 HIS N N 106 135.053 135.053 129.534 5.519 18712 469 1 1 . 1 1 106 106 HIS HA H 106 4.506 4.506 4.712 -0.206 18712 470 1 1 . 1 1 106 106 HIS CA C 106 57.578 57.578 55.967 1.611 18712 471 1 1 . 1 1 106 106 HIS CB C 106 33.672 33.672 31.723 1.949 18712 472 1 1 . 1 1 106 106 HIS H H 106 9.604 9.604 8.484 1.120 18712 473 1 1 . 1 1 107 107 ASP N N 107 112.528 112.528 118.134 -5.606 18712 474 1 1 . 1 1 107 107 ASP HA H 107 4.707 4.707 4.756 -0.049 18712 475 1 1 . 1 1 107 107 ASP CB C 107 42.812 42.812 44.846 -2.034 18712 476 1 1 . 1 1 107 107 ASP H H 107 7.930 7.930 7.758 0.172 18712 477 1 1 . 1 1 108 108 VAL N N 108 121.656 121.656 119.452 2.204 18712 478 1 1 . 1 1 108 108 VAL HA H 108 5.028 5.028 4.450 0.578 18712 479 1 1 . 1 1 108 108 VAL CA C 108 61.796 61.796 61.700 0.096 18712 480 1 1 . 1 1 108 108 VAL CB C 108 36.484 36.484 35.321 1.163 18712 481 1 1 . 1 1 108 108 VAL H H 108 8.325 8.325 8.266 0.059 18712 482 1 1 . 1 1 109 109 LYS N N 109 126.798 126.798 128.386 -1.588 18712 483 1 1 . 1 1 109 109 LYS HA H 109 4.676 4.676 4.571 0.105 18712 484 1 1 . 1 1 109 109 LYS CB C 109 37.187 37.187 34.524 2.663 18712 485 1 1 . 1 1 109 109 LYS H H 109 9.417 9.417 8.484 0.933 18712 486 1 1 . 1 1 110 110 VAL N N 110 121.892 121.892 123.841 -1.949 18712 487 1 1 . 1 1 110 110 VAL HA H 110 4.676 4.676 4.330 0.346 18712 488 1 1 . 1 1 110 110 VAL CB C 110 33.672 33.672 33.714 -0.042 18712 489 1 1 . 1 1 110 110 VAL H H 110 8.206 8.206 8.153 0.053 18712 490 1 1 . 1 1 111 111 PHE N N 111 126.578 126.578 127.737 -1.159 18712 491 1 1 . 1 1 111 111 PHE HA H 111 4.995 4.995 4.709 0.286 18712 492 1 1 . 1 1 111 111 PHE CA C 111 56.172 56.172 56.480 -0.308 18712 493 1 1 . 1 1 111 111 PHE CB C 111 42.109 42.109 41.189 0.920 18712 494 1 1 . 1 1 111 111 PHE H H 111 9.459 9.459 9.120 0.339 18712 495 1 1 . 1 1 112 112 ASN N N 112 121.797 121.797 119.616 2.181 18712 496 1 1 . 1 1 112 112 ASN HA H 112 5.425 5.425 5.117 0.308 18712 497 1 1 . 1 1 112 112 ASN CA C 112 52.656 52.656 52.330 0.326 18712 498 1 1 . 1 1 112 112 ASN CB C 112 42.109 42.109 42.296 -0.187 18712 499 1 1 . 1 1 112 112 ASN H H 112 10.663 10.663 8.736 1.927 18712 500 1 1 . 1 1 113 113 ARG N N 113 130.516 130.516 124.924 5.592 18712 501 1 1 . 1 1 113 113 ARG HA H 113 4.435 4.435 4.362 0.073 18712 502 1 1 . 1 1 113 113 ARG CA C 113 59.687 59.687 58.994 0.693 18712 503 1 1 . 1 1 113 113 ARG CB C 113 30.859 30.859 29.894 0.965 18712 504 1 1 . 1 1 113 113 ARG H H 113 9.138 9.138 9.010 0.128 18712 505 1 1 . 1 1 114 114 GLU N N 114 119.008 119.008 119.660 -0.652 18712 506 1 1 . 1 1 114 114 GLU HA H 114 4.142 4.142 4.093 0.049 18712 507 1 1 . 1 1 114 114 GLU CA C 114 58.281 58.281 58.652 -0.371 18712 508 1 1 . 1 1 114 114 GLU CB C 114 29.453 29.453 29.043 0.410 18712 509 1 1 . 1 1 114 114 GLU H H 114 8.924 8.924 8.156 0.768 18712 510 1 1 . 1 1 115 115 ASP N N 115 116.593 116.593 117.330 -0.737 18712 511 1 1 . 1 1 115 115 ASP HA H 115 4.869 4.869 4.586 0.283 18712 512 1 1 . 1 1 115 115 ASP CA C 115 54.062 54.062 54.199 -0.137 18712 513 1 1 . 1 1 115 115 ASP CB C 115 42.109 42.109 41.444 0.666 18712 514 1 1 . 1 1 115 115 ASP H H 115 7.356 7.356 7.721 -0.365 18712 515 1 1 . 1 1 116 116 GLY N N 116 106.689 106.689 107.258 -0.569 18712 516 1 1 . 1 1 116 116 GLY CA C 116 44.922 44.922 44.600 0.322 18712 517 1 1 . 1 1 116 116 GLY H H 116 7.918 7.918 7.769 0.149 18712 518 1 1 . 1 1 117 117 ASP N N 117 119.329 119.329 121.384 -2.055 18712 519 1 1 . 1 1 117 117 ASP HA H 117 4.632 4.632 4.735 -0.103 18712 520 1 1 . 1 1 117 117 ASP CA C 117 55.468 55.468 53.830 1.638 18712 521 1 1 . 1 1 117 117 ASP CB C 117 41.406 41.406 42.302 -0.896 18712 522 1 1 . 1 1 117 117 ASP H H 117 7.220 7.220 7.841 -0.621 18712 523 1 1 . 1 1 118 118 GLU N N 118 123.484 123.484 125.299 -1.815 18712 524 1 1 . 1 1 118 118 GLU HA H 118 4.240 4.240 4.358 -0.118 18712 525 1 1 . 1 1 118 118 GLU CA C 118 56.875 56.875 56.737 0.138 18712 526 1 1 . 1 1 118 118 GLU CB C 118 29.453 29.453 30.347 -0.894 18712 527 1 1 . 1 1 118 118 GLU H H 118 8.626 8.626 8.502 0.124 18712 528 1 1 . 1 1 119 119 LEU N N 119 129.139 129.139 124.821 4.318 18712 529 1 1 . 1 1 119 119 LEU HA H 119 4.759 4.759 4.693 0.066 18712 530 1 1 . 1 1 119 119 LEU CB C 119 44.219 44.219 43.745 0.474 18712 531 1 1 . 1 1 119 119 LEU H H 119 8.106 8.106 8.092 0.014 18712 532 1 1 . 1 1 120 120 PRO CB C 120 31.914 31.914 30.782 1.131 18712 533 1 1 . 1 1 121 121 PRO HA H 121 4.269 4.269 4.324 -0.055 18712 534 1 1 . 1 1 121 121 PRO CA C 121 63.906 63.906 63.741 0.165 18712 535 1 1 . 1 1 121 121 PRO CB C 121 31.563 31.563 31.005 0.558 18712 536 1 1 . 1 1 122 122 GLY N N 122 112.656 112.656 111.657 0.999 18712 537 1 1 . 1 1 122 122 GLY CA C 122 45.625 45.625 44.899 0.726 18712 538 1 1 . 1 1 122 122 GLY H H 122 8.827 8.827 8.706 0.121 18712 539 1 1 . 1 1 123 123 VAL N N 123 119.406 119.406 119.531 -0.125 18712 540 1 1 . 1 1 123 123 VAL HA H 123 4.017 4.017 4.510 -0.493 18712 541 1 1 . 1 1 123 123 VAL CA C 123 62.851 62.851 61.600 1.251 18712 542 1 1 . 1 1 123 123 VAL CB C 123 32.266 32.266 33.560 -1.294 18712 543 1 1 . 1 1 123 123 VAL H H 123 7.845 7.845 7.424 0.421 18712 544 1 1 . 1 1 124 124 ASN N N 124 124.609 124.609 120.054 4.555 18712 545 1 1 . 1 1 124 124 ASN HA H 124 4.877 4.877 4.918 -0.041 18712 546 1 1 . 1 1 124 124 ASN CA C 124 54.765 54.765 53.016 1.749 18712 547 1 1 . 1 1 124 124 ASN CB C 124 40.000 40.000 40.990 -0.990 18712 548 1 1 . 1 1 124 124 ASN H H 124 9.206 9.206 8.736 0.470 18712 549 1 1 . 1 1 125 125 GLN N N 125 117.959 117.959 115.061 2.898 18712 550 1 1 . 1 1 125 125 GLN HA H 125 5.234 5.234 4.634 0.600 18712 551 1 1 . 1 1 125 125 GLN CA C 125 56.172 56.172 55.240 0.932 18712 552 1 1 . 1 1 125 125 GLN CB C 125 33.672 33.672 33.091 0.581 18712 553 1 1 . 1 1 125 125 GLN H H 125 7.756 7.756 7.624 0.132 18712 554 1 1 . 1 1 126 126 LEU N N 126 125.559 125.559 122.234 3.325 18712 555 1 1 . 1 1 126 126 LEU HA H 126 5.261 5.261 4.964 0.297 18712 556 1 1 . 1 1 126 126 LEU CA C 126 54.765 54.765 54.888 -0.123 18712 557 1 1 . 1 1 126 126 LEU CB C 126 47.734 47.734 46.061 1.673 18712 558 1 1 . 1 1 126 126 LEU H H 126 8.866 8.866 8.282 0.584 18712 559 1 1 . 1 1 127 127 VAL N N 127 126.578 126.578 126.251 0.327 18712 560 1 1 . 1 1 127 127 VAL HA H 127 5.127 5.127 4.755 0.372 18712 561 1 1 . 1 1 127 127 VAL CA C 127 60.390 60.390 60.102 0.288 18712 562 1 1 . 1 1 127 127 VAL CB C 127 35.078 35.078 35.068 0.010 18712 563 1 1 . 1 1 127 127 VAL H H 127 9.367 9.367 8.902 0.465 18712 564 1 1 . 1 1 128 128 ARG N N 128 126.578 126.578 126.429 0.149 18712 565 1 1 . 1 1 128 128 ARG HA H 128 5.259 5.259 5.064 0.195 18712 566 1 1 . 1 1 128 128 ARG CA C 128 54.765 54.765 53.799 0.966 18712 567 1 1 . 1 1 128 128 ARG CB C 128 33.672 33.672 34.480 -0.808 18712 568 1 1 . 1 1 128 128 ARG H H 128 9.502 9.502 8.785 0.717 18712 569 1 1 . 1 1 129 129 VAL N N 129 123.977 123.977 119.984 3.993 18712 570 1 1 . 1 1 129 129 VAL HA H 129 4.489 4.489 4.409 0.080 18712 571 1 1 . 1 1 129 129 VAL CA C 129 61.093 61.093 60.896 0.197 18712 572 1 1 . 1 1 129 129 VAL CB C 129 35.078 35.078 34.280 0.798 18712 573 1 1 . 1 1 129 129 VAL H H 129 9.051 9.051 8.196 0.855 18712 574 1 1 . 1 1 130 130 TYR N N 130 124.673 124.673 124.259 0.414 18712 575 1 1 . 1 1 130 130 TYR HA H 130 5.419 5.419 5.115 0.304 18712 576 1 1 . 1 1 130 130 TYR CA C 130 56.172 56.172 56.458 -0.286 18712 577 1 1 . 1 1 130 130 TYR CB C 130 39.297 39.297 40.416 -1.119 18712 578 1 1 . 1 1 130 130 TYR H H 130 8.650 8.650 8.848 -0.198 18712 579 1 1 . 1 1 131 131 ILE N N 131 125.227 125.227 123.573 1.654 18712 580 1 1 . 1 1 131 131 ILE HA H 131 4.869 4.869 4.649 0.220 18712 581 1 1 . 1 1 131 131 ILE CB C 131 40.000 40.000 41.906 -1.906 18712 582 1 1 . 1 1 131 131 ILE H H 131 9.509 9.509 8.134 1.375 18712 583 1 1 . 1 1 132 132 VAL N N 132 126.859 126.859 123.942 2.917 18712 584 1 1 . 1 1 132 132 VAL HA H 132 4.729 4.729 4.931 -0.202 18712 585 1 1 . 1 1 132 132 VAL CA C 132 61.093 61.093 60.398 0.695 18712 586 1 1 . 1 1 132 132 VAL CB C 132 33.672 33.672 32.572 1.100 18712 587 1 1 . 1 1 132 132 VAL H H 132 9.606 9.606 7.995 1.611 18712 588 1 1 . 1 1 133 133 GLN N N 133 128.406 128.406 127.411 0.995 18712 589 1 1 . 1 1 133 133 GLN HA H 133 4.751 4.751 4.282 0.469 18712 590 1 1 . 1 1 133 133 GLN CA C 133 54.765 54.765 56.636 -1.871 18712 591 1 1 . 1 1 133 133 GLN CB C 133 31.563 31.563 29.373 2.190 18712 592 1 1 . 1 1 133 133 GLN H H 133 9.153 9.153 8.106 1.047 18712 593 1 1 . 1 1 134 134 LYS N N 134 122.929 122.929 125.284 -2.355 18712 594 1 1 . 1 1 134 134 LYS HA H 134 4.725 4.725 4.567 0.158 18712 595 1 1 . 1 1 134 134 LYS CA C 134 56.172 56.172 55.711 0.462 18712 596 1 1 . 1 1 134 134 LYS CB C 134 33.320 33.320 33.467 -0.147 18712 597 1 1 . 1 1 134 134 LYS H H 134 8.561 8.561 8.107 0.454 18712 598 1 1 . 1 1 135 135 ARG N N 135 123.484 123.484 123.947 -0.463 18712 599 1 1 . 1 1 135 135 ARG HA H 135 4.503 4.503 4.562 -0.059 18712 600 1 1 . 1 1 135 135 ARG CA C 135 55.468 55.468 55.520 -0.052 18712 601 1 1 . 1 1 135 135 ARG CB C 135 32.266 32.266 32.492 -0.226 18712 602 1 1 . 1 1 135 135 ARG H H 135 8.596 8.596 8.601 -0.005 18712 603 1 1 . 1 1 136 136 LYS N N 136 123.906 123.906 121.278 2.628 18712 604 1 1 . 1 1 136 136 LYS HA H 136 4.467 4.467 4.575 -0.108 18712 605 1 1 . 1 1 136 136 LYS CA C 136 56.172 56.172 55.413 0.759 18712 606 1 1 . 1 1 136 136 LYS CB C 136 32.969 32.969 33.714 -0.744 18712 607 1 1 . 1 1 136 136 LYS H H 136 8.608 8.608 8.250 0.358 18712 608 1 1 . 1 1 137 137 ILE N N 137 123.571 123.571 118.690 4.881 18712 609 1 1 . 1 1 137 137 ILE HA H 137 4.184 4.184 4.109 0.075 18712 610 1 1 . 1 1 137 137 ILE CA C 137 61.093 61.093 61.532 -0.440 18712 611 1 1 . 1 1 137 137 ILE CB C 137 38.594 38.594 38.486 0.108 18712 612 1 1 . 1 1 137 137 ILE H H 137 8.353 8.353 8.278 0.075 18712 613 1 1 . 1 1 138 138 SER N N 138 119.547 119.547 117.392 2.155 18712 614 1 1 . 1 1 138 138 SER HA H 138 4.503 4.503 4.444 0.059 18712 615 1 1 . 1 1 138 138 SER CA C 138 58.281 58.281 58.350 -0.069 18712 616 1 1 . 1 1 138 138 SER CB C 138 63.906 63.906 63.555 0.351 18712 617 1 1 . 1 1 138 138 SER H H 138 8.410 8.410 8.392 0.018 18712 618 1 1 . 1 1 139 139 GLU N N 139 123.281 123.281 126.447 -3.166 18712 619 1 1 . 1 1 139 139 GLU HA H 139 4.307 4.307 4.543 -0.236 18712 620 1 1 . 1 1 139 139 GLU CA C 139 56.875 56.875 56.248 0.627 18712 621 1 1 . 1 1 139 139 GLU CB C 139 30.156 30.156 30.843 -0.687 18712 622 1 1 . 1 1 139 139 GLU H H 139 8.489 8.489 8.802 -0.313 18712 623 1 1 . 1 1 140 140 GLY N N 140 109.792 109.792 113.748 -3.956 18712 624 1 1 . 1 1 140 140 GLY CA C 140 45.625 45.625 45.084 0.541 18712 625 1 1 . 1 1 140 140 GLY H H 140 8.418 8.418 8.851 -0.433 18712 626 1 2 . 1 1 4 4 VAL N N 4 119.125 119.125 122.511 -3.386 18712 627 1 2 . 1 1 4 4 VAL HA H 4 4.070 4.070 4.479 -0.409 18712 628 1 2 . 1 1 4 4 VAL CA C 4 62.500 62.500 61.772 0.728 18712 629 1 2 . 1 1 4 4 VAL CB C 4 32.969 32.969 33.221 -0.252 18712 630 1 2 . 1 1 4 4 VAL H H 4 7.998 7.998 7.784 0.214 18712 631 1 2 . 1 1 5 5 TYR N N 5 122.640 122.640 125.037 -2.397 18712 632 1 2 . 1 1 5 5 TYR HA H 5 4.674 4.674 4.605 0.069 18712 633 1 2 . 1 1 5 5 TYR CA C 5 58.281 58.281 57.634 0.647 18712 634 1 2 . 1 1 5 5 TYR CB C 5 38.594 38.594 38.751 -0.157 18712 635 1 2 . 1 1 5 5 TYR H H 5 8.305 8.305 8.530 -0.225 18712 636 1 2 . 1 1 6 6 THR N N 6 114.861 114.861 116.425 -1.564 18712 637 1 2 . 1 1 6 6 THR HA H 6 4.548 4.548 4.546 0.002 18712 638 1 2 . 1 1 6 6 THR CA C 6 61.796 61.796 60.104 1.692 18712 639 1 2 . 1 1 6 6 THR CB C 6 70.234 70.234 70.239 -0.005 18712 640 1 2 . 1 1 6 6 THR H H 6 8.003 8.003 8.234 -0.231 18712 641 1 2 . 1 1 7 7 SER N N 7 118.140 118.140 118.837 -0.697 18712 642 1 2 . 1 1 7 7 SER HA H 7 4.600 4.600 4.909 -0.309 18712 643 1 2 . 1 1 7 7 SER CA C 7 57.578 57.578 57.376 0.202 18712 644 1 2 . 1 1 7 7 SER CB C 7 64.609 64.609 64.819 -0.210 18712 645 1 2 . 1 1 7 7 SER H H 7 8.487 8.487 8.386 0.101 18712 646 1 2 . 1 1 8 8 ILE N N 8 121.375 121.375 122.114 -0.739 18712 647 1 2 . 1 1 8 8 ILE HA H 8 4.627 4.627 4.155 0.472 18712 648 1 2 . 1 1 8 8 ILE CA C 8 60.390 60.390 60.962 -0.572 18712 649 1 2 . 1 1 8 8 ILE CB C 8 40.000 40.000 38.507 1.493 18712 650 1 2 . 1 1 8 8 ILE H H 8 8.139 8.139 8.275 -0.136 18712 651 1 2 . 1 1 9 9 HIS N N 9 125.734 125.734 125.747 -0.013 18712 652 1 2 . 1 1 9 9 HIS HA H 9 4.768 4.768 4.652 0.116 18712 653 1 2 . 1 1 9 9 HIS CB C 9 32.617 32.617 31.560 1.057 18712 654 1 2 . 1 1 9 9 HIS H H 9 8.743 8.743 8.691 0.052 18712 655 1 2 . 1 1 10 10 ILE N N 10 125.875 125.875 122.097 3.778 18712 656 1 2 . 1 1 10 10 ILE HA H 10 4.806 4.806 4.750 0.056 18712 657 1 2 . 1 1 10 10 ILE CB C 10 39.297 39.297 38.913 0.384 18712 658 1 2 . 1 1 10 10 ILE H H 10 8.035 8.035 8.296 -0.261 18712 659 1 2 . 1 1 11 11 GLU N N 11 129.438 129.438 128.185 1.253 18712 660 1 2 . 1 1 11 11 GLU HA H 11 4.472 4.472 4.341 0.131 18712 661 1 2 . 1 1 11 11 GLU CA C 11 54.062 54.062 54.715 -0.653 18712 662 1 2 . 1 1 11 11 GLU CB C 11 32.617 32.617 31.949 0.668 18712 663 1 2 . 1 1 11 11 GLU H H 11 8.934 8.934 9.038 -0.104 18712 664 1 2 . 1 1 12 12 GLU N N 12 123.983 123.983 120.925 3.058 18712 665 1 2 . 1 1 12 12 GLU HA H 12 4.752 4.752 4.677 0.075 18712 666 1 2 . 1 1 12 12 GLU CA C 12 54.062 54.062 55.292 -1.230 18712 667 1 2 . 1 1 12 12 GLU CB C 12 32.617 32.617 31.682 0.935 18712 668 1 2 . 1 1 12 12 GLU H H 12 8.192 8.192 8.255 -0.063 18712 669 1 2 . 1 1 13 13 TYR N N 13 122.826 122.826 123.509 -0.683 18712 670 1 2 . 1 1 13 13 TYR HA H 13 4.741 4.741 4.703 0.038 18712 671 1 2 . 1 1 13 13 TYR CB C 13 42.812 42.812 41.373 1.438 18712 672 1 2 . 1 1 13 13 TYR H H 13 8.926 8.926 8.416 0.510 18712 673 1 2 . 1 1 14 14 GLU N N 14 119.329 119.329 121.632 -2.303 18712 674 1 2 . 1 1 14 14 GLU HA H 14 5.647 5.647 4.736 0.911 18712 675 1 2 . 1 1 14 14 GLU CA C 14 54.765 54.765 55.508 -0.743 18712 676 1 2 . 1 1 14 14 GLU CB C 14 34.375 34.375 32.252 2.123 18712 677 1 2 . 1 1 14 14 GLU H H 14 8.716 8.716 8.641 0.075 18712 678 1 2 . 1 1 15 15 SER N N 15 116.172 116.172 120.818 -4.646 18712 679 1 2 . 1 1 15 15 SER HA H 15 4.616 4.616 4.766 -0.150 18712 680 1 2 . 1 1 15 15 SER CA C 15 57.578 57.578 58.101 -0.523 18712 681 1 2 . 1 1 15 15 SER CB C 15 66.015 66.015 65.028 0.987 18712 682 1 2 . 1 1 15 15 SER H H 15 8.922 8.922 8.777 0.145 18712 683 1 2 . 1 1 16 16 GLU N N 16 125.172 125.172 124.531 0.641 18712 684 1 2 . 1 1 16 16 GLU HA H 16 5.082 5.082 4.783 0.299 18712 685 1 2 . 1 1 16 16 GLU CA C 16 54.062 54.062 54.083 -0.021 18712 686 1 2 . 1 1 16 16 GLU CB C 16 32.969 32.969 33.382 -0.413 18712 687 1 2 . 1 1 16 16 GLU H H 16 8.587 8.587 8.370 0.217 18712 688 1 2 . 1 1 17 17 ALA N N 17 124.890 124.890 126.477 -1.587 18712 689 1 2 . 1 1 17 17 ALA HA H 17 4.969 4.969 4.475 0.494 18712 690 1 2 . 1 1 17 17 ALA CA C 17 50.547 50.547 51.505 -0.958 18712 691 1 2 . 1 1 17 17 ALA CB C 17 19.610 19.610 19.356 0.254 18712 692 1 2 . 1 1 17 17 ALA H H 17 9.000 9.000 8.267 0.733 18712 693 1 2 . 1 1 18 18 ARG N N 18 125.376 125.376 125.251 0.125 18712 694 1 2 . 1 1 18 18 ARG HA H 18 5.175 5.175 5.078 0.097 18712 695 1 2 . 1 1 18 18 ARG CA C 18 54.765 54.765 54.750 0.015 18712 696 1 2 . 1 1 18 18 ARG CB C 18 34.375 34.375 31.385 2.990 18712 697 1 2 . 1 1 18 18 ARG H H 18 9.624 9.624 8.188 1.436 18712 698 1 2 . 1 1 19 19 ASP N N 19 119.828 119.828 124.147 -4.319 18712 699 1 2 . 1 1 19 19 ASP HA H 19 4.685 4.685 4.480 0.205 18712 700 1 2 . 1 1 19 19 ASP CA C 19 55.117 55.117 54.303 0.814 18712 701 1 2 . 1 1 19 19 ASP CB C 19 41.406 41.406 41.039 0.366 18712 702 1 2 . 1 1 19 19 ASP H H 19 8.420 8.420 8.750 -0.330 18712 703 1 2 . 1 1 20 20 THR N N 20 112.948 112.948 115.802 -2.854 18712 704 1 2 . 1 1 20 20 THR HA H 20 4.979 4.979 4.342 0.637 18712 705 1 2 . 1 1 20 20 THR CA C 20 60.390 60.390 61.129 -0.739 18712 706 1 2 . 1 1 20 20 THR CB C 20 73.046 73.046 70.214 2.832 18712 707 1 2 . 1 1 20 20 THR H H 20 7.602 7.602 8.357 -0.755 18712 708 1 2 . 1 1 21 21 LYS HA H 21 4.146 4.146 4.372 -0.226 18712 709 1 2 . 1 1 21 21 LYS CA C 21 58.984 58.984 57.828 1.157 18712 710 1 2 . 1 1 21 21 LYS CB C 21 32.266 32.266 31.326 0.940 18712 711 1 2 . 1 1 22 22 LEU N N 22 117.346 117.346 120.728 -3.382 18712 712 1 2 . 1 1 22 22 LEU HA H 22 4.532 4.532 4.464 0.068 18712 713 1 2 . 1 1 22 22 LEU CA C 22 54.062 54.062 54.442 -0.380 18712 714 1 2 . 1 1 22 22 LEU CB C 22 42.812 42.812 41.684 1.127 18712 715 1 2 . 1 1 22 22 LEU H H 22 7.848 7.848 7.381 0.467 18712 716 1 2 . 1 1 23 23 GLY N N 23 108.437 108.437 109.501 -1.064 18712 717 1 2 . 1 1 23 23 GLY CA C 23 43.516 43.516 44.404 -0.888 18712 718 1 2 . 1 1 23 23 GLY H H 23 7.407 7.407 7.389 0.018 18712 719 1 2 . 1 1 24 24 PRO HA H 24 4.894 4.894 4.551 0.343 18712 720 1 2 . 1 1 24 24 PRO CA C 24 63.906 63.906 62.735 1.171 18712 721 1 2 . 1 1 24 24 PRO CB C 24 31.563 31.563 32.903 -1.340 18712 722 1 2 . 1 1 25 25 GLU N N 25 118.281 118.281 118.442 -0.161 18712 723 1 2 . 1 1 25 25 GLU HA H 25 4.621 4.621 4.396 0.225 18712 724 1 2 . 1 1 25 25 GLU CA C 25 56.523 56.523 56.534 -0.011 18712 725 1 2 . 1 1 25 25 GLU CB C 25 32.266 32.266 30.785 1.481 18712 726 1 2 . 1 1 25 25 GLU H H 25 8.341 8.341 8.664 -0.323 18712 727 1 2 . 1 1 26 26 GLU N N 26 119.406 119.406 119.197 0.209 18712 728 1 2 . 1 1 26 26 GLU HA H 26 4.710 4.710 4.542 0.168 18712 729 1 2 . 1 1 26 26 GLU CA C 26 54.765 54.765 55.404 -0.639 18712 730 1 2 . 1 1 26 26 GLU CB C 26 33.672 33.672 31.347 2.325 18712 731 1 2 . 1 1 26 26 GLU H H 26 8.336 8.336 7.705 0.631 18712 732 1 2 . 1 1 27 27 ILE N N 27 127.472 127.472 121.985 5.487 18712 733 1 2 . 1 1 27 27 ILE HA H 27 5.009 5.009 4.192 0.817 18712 734 1 2 . 1 1 27 27 ILE CA C 27 60.390 60.390 61.913 -1.523 18712 735 1 2 . 1 1 27 27 ILE CB C 27 37.187 37.187 38.541 -1.355 18712 736 1 2 . 1 1 27 27 ILE H H 27 8.405 8.405 8.552 -0.147 18712 737 1 2 . 1 1 28 28 THR N N 28 124.387 124.387 121.912 2.475 18712 738 1 2 . 1 1 28 28 THR HA H 28 4.492 4.492 4.578 -0.086 18712 739 1 2 . 1 1 28 28 THR CA C 28 59.687 59.687 60.556 -0.869 18712 740 1 2 . 1 1 28 28 THR CB C 28 68.125 68.125 71.189 -3.064 18712 741 1 2 . 1 1 28 28 THR H H 28 8.191 8.191 8.399 -0.208 18712 742 1 2 . 1 1 29 29 ARG N N 29 120.568 120.568 120.743 -0.175 18712 743 1 2 . 1 1 29 29 ARG HA H 29 4.202 4.202 4.643 -0.441 18712 744 1 2 . 1 1 29 29 ARG CA C 29 55.468 55.468 54.980 0.488 18712 745 1 2 . 1 1 29 29 ARG CB C 29 32.266 32.266 31.323 0.943 18712 746 1 2 . 1 1 29 29 ARG H H 29 7.995 7.995 8.400 -0.405 18712 747 1 2 . 1 1 30 30 ASP N N 30 123.906 123.906 123.322 0.584 18712 748 1 2 . 1 1 30 30 ASP HA H 30 4.619 4.619 4.694 -0.075 18712 749 1 2 . 1 1 30 30 ASP CA C 30 53.359 53.359 53.805 -0.446 18712 750 1 2 . 1 1 30 30 ASP CB C 30 38.594 38.594 42.211 -3.617 18712 751 1 2 . 1 1 30 30 ASP H H 30 8.784 8.784 8.603 0.181 18712 752 1 2 . 1 1 31 31 ILE N N 31 123.422 123.422 122.942 0.480 18712 753 1 2 . 1 1 31 31 ILE HA H 31 4.063 4.063 4.514 -0.451 18712 754 1 2 . 1 1 31 31 ILE CA C 31 57.578 57.578 56.666 0.912 18712 755 1 2 . 1 1 31 31 ILE CB C 31 40.703 40.703 36.603 4.100 18712 756 1 2 . 1 1 31 31 ILE H H 31 7.404 7.404 8.039 -0.635 18712 757 1 2 . 1 1 32 32 PRO HA H 32 4.273 4.273 4.525 -0.252 18712 758 1 2 . 1 1 32 32 PRO CA C 32 63.554 63.554 63.022 0.532 18712 759 1 2 . 1 1 32 32 PRO CB C 32 32.266 32.266 32.501 -0.235 18712 760 1 2 . 1 1 33 33 ASN N N 33 114.027 114.027 115.254 -1.227 18712 761 1 2 . 1 1 33 33 ASN HA H 33 4.269 4.269 4.349 -0.080 18712 762 1 2 . 1 1 33 33 ASN CA C 33 55.117 55.117 53.864 1.253 18712 763 1 2 . 1 1 33 33 ASN CB C 33 37.891 37.891 36.956 0.935 18712 764 1 2 . 1 1 33 33 ASN H H 33 8.880 8.880 8.645 0.235 18712 765 1 2 . 1 1 34 34 VAL N N 34 117.111 117.111 119.933 -2.822 18712 766 1 2 . 1 1 34 34 VAL HA H 34 4.249 4.249 4.250 -0.001 18712 767 1 2 . 1 1 34 34 VAL CA C 34 62.148 62.148 61.625 0.523 18712 768 1 2 . 1 1 34 34 VAL CB C 34 33.672 33.672 33.047 0.625 18712 769 1 2 . 1 1 34 34 VAL H H 34 7.328 7.328 7.603 -0.275 18712 770 1 2 . 1 1 35 35 GLY N N 35 113.600 113.600 111.536 2.064 18712 771 1 2 . 1 1 35 35 GLY CA C 35 44.219 44.219 44.065 0.154 18712 772 1 2 . 1 1 35 35 GLY H H 35 8.653 8.653 8.361 0.291 18712 773 1 2 . 1 1 36 36 GLU N N 36 118.562 118.562 120.275 -1.713 18712 774 1 2 . 1 1 36 36 GLU HA H 36 3.888 3.888 4.175 -0.287 18712 775 1 2 . 1 1 36 36 GLU CA C 36 59.687 59.687 58.877 0.810 18712 776 1 2 . 1 1 36 36 GLU CB C 36 29.453 29.453 29.582 -0.129 18712 777 1 2 . 1 1 36 36 GLU H H 36 8.457 8.457 8.715 -0.258 18712 778 1 2 . 1 1 37 37 ASP N N 37 118.140 118.140 117.333 0.807 18712 779 1 2 . 1 1 37 37 ASP HA H 37 4.335 4.335 4.456 -0.121 18712 780 1 2 . 1 1 37 37 ASP CA C 37 56.875 56.875 56.184 0.692 18712 781 1 2 . 1 1 37 37 ASP CB C 37 40.000 40.000 40.230 -0.230 18712 782 1 2 . 1 1 37 37 ASP H H 37 8.728 8.728 8.342 0.386 18712 783 1 2 . 1 1 38 38 ALA N N 38 120.752 120.752 121.289 -0.537 18712 784 1 2 . 1 1 38 38 ALA HA H 38 4.288 4.288 4.456 -0.168 18712 785 1 2 . 1 1 38 38 ALA CA C 38 53.359 53.359 54.028 -0.669 18712 786 1 2 . 1 1 38 38 ALA CB C 38 18.555 18.555 18.529 0.026 18712 787 1 2 . 1 1 38 38 ALA H H 38 7.642 7.642 8.249 -0.607 18712 788 1 2 . 1 1 39 39 LEU N N 39 117.015 117.015 111.426 5.589 18712 789 1 2 . 1 1 39 39 LEU HA H 39 4.295 4.295 4.714 -0.419 18712 790 1 2 . 1 1 39 39 LEU CA C 39 54.765 54.765 53.877 0.888 18712 791 1 2 . 1 1 39 39 LEU CB C 39 43.164 43.164 41.467 1.697 18712 792 1 2 . 1 1 39 39 LEU H H 39 7.446 7.446 7.038 0.408 18712 793 1 2 . 1 1 40 40 ARG N N 40 118.017 118.017 118.462 -0.445 18712 794 1 2 . 1 1 40 40 ARG HA H 40 4.064 4.064 4.145 -0.081 18712 795 1 2 . 1 1 40 40 ARG CA C 40 59.687 59.687 58.174 1.513 18712 796 1 2 . 1 1 40 40 ARG CB C 40 30.508 30.508 30.549 -0.041 18712 797 1 2 . 1 1 40 40 ARG H H 40 7.079 7.079 7.545 -0.466 18712 798 1 2 . 1 1 41 41 ASN N N 41 115.439 115.439 115.991 -0.552 18712 799 1 2 . 1 1 41 41 ASN HA H 41 4.996 4.996 4.726 0.270 18712 800 1 2 . 1 1 41 41 ASN CA C 41 53.359 53.359 53.340 0.019 18712 801 1 2 . 1 1 41 41 ASN CB C 41 39.297 39.297 38.795 0.502 18712 802 1 2 . 1 1 41 41 ASN H H 41 9.057 9.057 8.299 0.758 18712 803 1 2 . 1 1 42 42 LEU N N 42 118.703 118.703 120.909 -2.206 18712 804 1 2 . 1 1 42 42 LEU HA H 42 4.403 4.403 4.149 0.254 18712 805 1 2 . 1 1 42 42 LEU CA C 42 54.062 54.062 56.534 -2.472 18712 806 1 2 . 1 1 42 42 LEU CB C 42 42.812 42.812 42.592 0.220 18712 807 1 2 . 1 1 42 42 LEU H H 42 7.719 7.719 7.900 -0.181 18712 808 1 2 . 1 1 43 43 ASP N N 43 122.791 122.791 124.319 -1.528 18712 809 1 2 . 1 1 43 43 ASP HA H 43 4.481 4.481 4.758 -0.277 18712 810 1 2 . 1 1 43 43 ASP CA C 43 52.656 52.656 53.279 -0.623 18712 811 1 2 . 1 1 43 43 ASP CB C 43 39.648 39.648 43.174 -3.526 18712 812 1 2 . 1 1 43 43 ASP H H 43 8.933 8.933 8.062 0.871 18712 813 1 2 . 1 1 44 44 ASP N N 44 114.917 114.917 119.848 -4.931 18712 814 1 2 . 1 1 44 44 ASP HA H 44 4.278 4.278 4.567 -0.289 18712 815 1 2 . 1 1 44 44 ASP CA C 44 56.875 56.875 56.208 0.667 18712 816 1 2 . 1 1 44 44 ASP CB C 44 40.000 40.000 40.525 -0.525 18712 817 1 2 . 1 1 44 44 ASP H H 44 8.281 8.281 8.765 -0.484 18712 818 1 2 . 1 1 45 45 ARG N N 45 118.140 118.140 116.907 1.233 18712 819 1 2 . 1 1 45 45 ARG HA H 45 4.366 4.366 4.279 0.087 18712 820 1 2 . 1 1 45 45 ARG CA C 45 55.117 55.117 56.440 -1.323 18712 821 1 2 . 1 1 45 45 ARG CB C 45 30.859 30.859 30.612 0.247 18712 822 1 2 . 1 1 45 45 ARG H H 45 8.500 8.500 8.184 0.316 18712 823 1 2 . 1 1 46 46 GLY N N 46 101.828 101.828 107.080 -5.252 18712 824 1 2 . 1 1 46 46 GLY CA C 46 45.273 45.273 44.822 0.451 18712 825 1 2 . 1 1 46 46 GLY H H 46 7.680 7.680 7.820 -0.140 18712 826 1 2 . 1 1 47 47 VAL N N 47 119.955 119.955 117.849 2.106 18712 827 1 2 . 1 1 47 47 VAL HA H 47 4.406 4.406 4.373 0.033 18712 828 1 2 . 1 1 47 47 VAL CA C 47 61.796 61.796 58.336 3.460 18712 829 1 2 . 1 1 47 47 VAL CB C 47 33.672 33.672 34.574 -0.902 18712 830 1 2 . 1 1 47 47 VAL H H 47 8.007 8.007 7.317 0.690 18712 831 1 2 . 1 1 48 48 ILE N N 48 128.406 128.406 126.154 2.252 18712 832 1 2 . 1 1 48 48 ILE HA H 48 4.202 4.202 3.976 0.226 18712 833 1 2 . 1 1 48 48 ILE CA C 48 59.687 59.687 60.872 -1.185 18712 834 1 2 . 1 1 48 48 ILE CB C 48 38.945 38.945 36.212 2.732 18712 835 1 2 . 1 1 48 48 ILE H H 48 8.145 8.145 8.296 -0.151 18712 836 1 2 . 1 1 49 49 ARG N N 49 123.765 123.765 127.059 -3.294 18712 837 1 2 . 1 1 49 49 ARG HA H 49 4.328 4.328 4.224 0.104 18712 838 1 2 . 1 1 49 49 ARG CA C 49 56.875 56.875 56.164 0.711 18712 839 1 2 . 1 1 49 49 ARG CB C 49 31.563 31.563 31.460 0.103 18712 840 1 2 . 1 1 49 49 ARG H H 49 7.447 7.447 8.013 -0.566 18712 841 1 2 . 1 1 50 50 ILE N N 50 121.094 121.094 121.133 -0.039 18712 842 1 2 . 1 1 50 50 ILE HA H 50 3.414 3.414 3.595 -0.181 18712 843 1 2 . 1 1 50 50 ILE CA C 50 64.609 64.609 63.039 1.570 18712 844 1 2 . 1 1 50 50 ILE H H 50 8.284 8.284 8.224 0.060 18712 845 1 2 . 1 1 51 51 GLY N N 51 115.791 115.791 113.210 2.581 18712 846 1 2 . 1 1 51 51 GLY CA C 51 44.922 44.922 45.007 -0.085 18712 847 1 2 . 1 1 51 51 GLY H H 51 8.679 8.679 8.834 -0.155 18712 848 1 2 . 1 1 52 52 ALA N N 52 122.065 122.065 122.964 -0.899 18712 849 1 2 . 1 1 52 52 ALA HA H 52 4.246 4.246 4.593 -0.347 18712 850 1 2 . 1 1 52 52 ALA CA C 52 52.656 52.656 50.741 1.915 18712 851 1 2 . 1 1 52 52 ALA CB C 52 18.906 18.906 20.383 -1.477 18712 852 1 2 . 1 1 52 52 ALA H H 52 7.496 7.496 7.511 -0.015 18712 853 1 2 . 1 1 53 53 GLU N N 53 121.468 121.468 123.039 -1.571 18712 854 1 2 . 1 1 53 53 GLU HA H 53 4.892 4.892 4.176 0.716 18712 855 1 2 . 1 1 53 53 GLU CB C 53 30.508 30.508 30.298 0.210 18712 856 1 2 . 1 1 53 53 GLU H H 53 8.427 8.427 8.611 -0.184 18712 857 1 2 . 1 1 54 54 VAL N N 54 117.437 117.437 125.034 -7.597 18712 858 1 2 . 1 1 54 54 VAL HA H 54 4.979 4.979 4.149 0.830 18712 859 1 2 . 1 1 54 54 VAL CA C 54 58.632 58.632 61.683 -3.051 18712 860 1 2 . 1 1 54 54 VAL CB C 54 35.781 35.781 33.339 2.442 18712 861 1 2 . 1 1 54 54 VAL H H 54 9.002 9.002 8.287 0.715 18712 862 1 2 . 1 1 55 55 LYS N N 55 123.906 123.906 124.331 -0.425 18712 863 1 2 . 1 1 55 55 LYS HA H 55 4.698 4.698 4.599 0.099 18712 864 1 2 . 1 1 55 55 LYS CA C 55 53.359 53.359 54.775 -1.416 18712 865 1 2 . 1 1 55 55 LYS CB C 55 35.781 35.781 34.786 0.995 18712 866 1 2 . 1 1 55 55 LYS H H 55 9.244 9.244 7.980 1.264 18712 867 1 2 . 1 1 56 56 ASP N N 56 118.562 118.562 120.764 -2.202 18712 868 1 2 . 1 1 56 56 ASP HA H 56 3.764 3.764 4.343 -0.579 18712 869 1 2 . 1 1 56 56 ASP CA C 56 56.172 56.172 55.263 0.909 18712 870 1 2 . 1 1 56 56 ASP CB C 56 40.000 40.000 40.402 -0.402 18712 871 1 2 . 1 1 56 56 ASP H H 56 8.176 8.176 8.363 -0.187 18712 872 1 2 . 1 1 57 57 GLY N N 57 112.515 112.515 112.120 0.395 18712 873 1 2 . 1 1 57 57 GLY CA C 57 45.625 45.625 45.147 0.478 18712 874 1 2 . 1 1 57 57 GLY H H 57 8.841 8.841 8.975 -0.134 18712 875 1 2 . 1 1 58 58 ASP N N 58 121.375 121.375 121.746 -0.371 18712 876 1 2 . 1 1 58 58 ASP HA H 58 4.532 4.532 4.948 -0.416 18712 877 1 2 . 1 1 58 58 ASP CA C 58 54.765 54.765 52.813 1.952 18712 878 1 2 . 1 1 58 58 ASP CB C 58 41.055 41.055 41.281 -0.226 18712 879 1 2 . 1 1 58 58 ASP H H 58 8.209 8.209 7.698 0.511 18712 880 1 2 . 1 1 59 59 LEU N N 59 119.828 119.828 123.237 -3.409 18712 881 1 2 . 1 1 59 59 LEU HA H 59 3.976 3.976 4.280 -0.304 18712 882 1 2 . 1 1 59 59 LEU CA C 59 56.875 56.875 54.144 2.731 18712 883 1 2 . 1 1 59 59 LEU CB C 59 44.219 44.219 42.300 1.919 18712 884 1 2 . 1 1 59 59 LEU H H 59 8.570 8.570 8.553 0.017 18712 885 1 2 . 1 1 60 60 LEU N N 60 116.594 116.594 112.654 3.940 18712 886 1 2 . 1 1 60 60 LEU HA H 60 4.518 4.518 3.938 0.580 18712 887 1 2 . 1 1 60 60 LEU CB C 60 44.922 44.922 39.969 4.953 18712 888 1 2 . 1 1 60 60 LEU H H 60 8.816 8.816 7.981 0.835 18712 889 1 2 . 1 1 61 61 VAL N N 61 115.656 115.656 116.386 -0.730 18712 890 1 2 . 1 1 61 61 VAL HA H 61 4.618 4.618 4.234 0.384 18712 891 1 2 . 1 1 61 61 VAL CA C 61 61.093 61.093 61.131 -0.038 18712 892 1 2 . 1 1 61 61 VAL CB C 61 36.484 36.484 35.688 0.796 18712 893 1 2 . 1 1 61 61 VAL H H 61 7.322 7.322 7.340 -0.018 18712 894 1 2 . 1 1 62 62 GLY N N 62 117.191 117.191 114.923 2.268 18712 895 1 2 . 1 1 62 62 GLY CA C 62 45.625 45.625 44.709 0.916 18712 896 1 2 . 1 1 62 62 GLY H H 62 9.563 9.563 8.296 1.267 18712 897 1 2 . 1 1 63 63 LYS N N 63 127.584 127.584 126.510 1.074 18712 898 1 2 . 1 1 63 63 LYS HA H 63 5.328 5.328 4.787 0.541 18712 899 1 2 . 1 1 63 63 LYS CA C 63 56.172 56.172 54.919 1.253 18712 900 1 2 . 1 1 63 63 LYS CB C 63 35.078 35.078 35.223 -0.145 18712 901 1 2 . 1 1 63 63 LYS H H 63 8.712 8.712 7.797 0.915 18712 902 1 2 . 1 1 64 64 VAL N N 64 114.383 114.383 121.896 -7.513 18712 903 1 2 . 1 1 64 64 VAL HA H 64 5.523 5.523 4.867 0.656 18712 904 1 2 . 1 1 64 64 VAL CA C 64 57.578 57.578 60.921 -3.343 18712 905 1 2 . 1 1 64 64 VAL CB C 64 35.781 35.781 34.826 0.955 18712 906 1 2 . 1 1 64 64 VAL H H 64 8.481 8.481 7.949 0.532 18712 907 1 2 . 1 1 65 65 THR N N 65 118.431 118.431 116.018 2.413 18712 908 1 2 . 1 1 65 65 THR HA H 65 4.602 4.602 4.909 -0.307 18712 909 1 2 . 1 1 65 65 THR CA C 65 59.687 59.687 58.882 0.805 18712 910 1 2 . 1 1 65 65 THR CB C 65 72.343 72.343 69.163 3.180 18712 911 1 2 . 1 1 65 65 THR H H 65 8.637 8.637 7.979 0.658 18712 912 1 2 . 1 1 66 66 PRO HA H 66 4.557 4.557 4.393 0.164 18712 913 1 2 . 1 1 66 66 PRO CA C 66 63.906 63.906 62.812 1.094 18712 914 1 2 . 1 1 66 66 PRO CB C 66 32.969 32.969 32.453 0.516 18712 915 1 2 . 1 1 67 67 LYS N N 67 122.359 122.359 121.307 1.052 18712 916 1 2 . 1 1 67 67 LYS HA H 67 4.391 4.391 4.526 -0.135 18712 917 1 2 . 1 1 67 67 LYS CA C 67 56.172 56.172 54.904 1.268 18712 918 1 2 . 1 1 67 67 LYS CB C 67 35.078 35.078 35.637 -0.559 18712 919 1 2 . 1 1 67 67 LYS H H 67 8.371 8.371 7.792 0.579 18712 920 1 2 . 1 1 68 68 GLY N N 68 109.563 109.563 107.395 2.168 18712 921 1 2 . 1 1 68 68 GLY CA C 68 44.922 44.922 44.105 0.817 18712 922 1 2 . 1 1 68 68 GLY H H 68 8.583 8.583 8.168 0.415 18712 923 1 2 . 1 1 69 69 VAL N N 69 118.378 118.378 121.196 -2.818 18712 924 1 2 . 1 1 69 69 VAL HA H 69 4.032 4.032 3.780 0.252 18712 925 1 2 . 1 1 69 69 VAL CA C 69 63.203 63.203 64.465 -1.262 18712 926 1 2 . 1 1 69 69 VAL CB C 69 32.266 32.266 31.826 0.440 18712 927 1 2 . 1 1 69 69 VAL H H 69 8.235 8.235 8.435 -0.200 18712 928 1 2 . 1 1 70 70 THR N N 70 114.484 114.484 114.616 -0.132 18712 929 1 2 . 1 1 70 70 THR HA H 70 4.281 4.281 4.145 0.136 18712 930 1 2 . 1 1 70 70 THR CA C 70 62.500 62.500 64.284 -1.784 18712 931 1 2 . 1 1 70 70 THR CB C 70 69.531 69.531 68.648 0.883 18712 932 1 2 . 1 1 70 70 THR H H 70 8.085 8.085 7.844 0.241 18712 933 1 2 . 1 1 71 71 GLU N N 71 121.656 121.656 121.162 0.494 18712 934 1 2 . 1 1 71 71 GLU HA H 71 4.325 4.325 4.472 -0.147 18712 935 1 2 . 1 1 71 71 GLU CA C 71 56.172 56.172 55.795 0.377 18712 936 1 2 . 1 1 71 71 GLU CB C 71 30.859 30.859 29.131 1.728 18712 937 1 2 . 1 1 71 71 GLU H H 71 8.175 8.175 7.878 0.297 18712 938 1 2 . 1 1 72 72 LEU N N 72 122.219 122.219 119.764 2.455 18712 939 1 2 . 1 1 72 72 LEU HA H 72 4.534 4.534 4.551 -0.017 18712 940 1 2 . 1 1 72 72 LEU CA C 72 54.765 54.765 54.202 0.563 18712 941 1 2 . 1 1 72 72 LEU CB C 72 42.812 42.812 43.127 -0.315 18712 942 1 2 . 1 1 72 72 LEU H H 72 7.770 7.770 7.322 0.448 18712 943 1 2 . 1 1 73 73 THR N N 73 114.407 114.407 113.138 1.269 18712 944 1 2 . 1 1 73 73 THR HA H 73 4.405 4.405 4.591 -0.186 18712 945 1 2 . 1 1 73 73 THR CA C 73 61.093 61.093 60.700 0.393 18712 946 1 2 . 1 1 73 73 THR CB C 73 70.937 70.937 70.394 0.543 18712 947 1 2 . 1 1 73 73 THR H H 73 8.869 8.869 7.965 0.904 18712 948 1 2 . 1 1 74 74 ALA N N 74 123.782 123.782 124.888 -1.106 18712 949 1 2 . 1 1 74 74 ALA HA H 74 4.026 4.026 4.108 -0.082 18712 950 1 2 . 1 1 74 74 ALA CA C 74 55.468 55.468 54.875 0.593 18712 951 1 2 . 1 1 74 74 ALA CB C 74 18.203 18.203 18.663 -0.460 18712 952 1 2 . 1 1 74 74 ALA H H 74 8.831 8.831 8.709 0.122 18712 953 1 2 . 1 1 75 75 GLU N N 75 117.578 117.578 118.478 -0.900 18712 954 1 2 . 1 1 75 75 GLU HA H 75 4.043 4.043 3.957 0.086 18712 955 1 2 . 1 1 75 75 GLU CA C 75 59.687 59.687 59.630 0.057 18712 956 1 2 . 1 1 75 75 GLU CB C 75 29.453 29.453 29.152 0.301 18712 957 1 2 . 1 1 75 75 GLU H H 75 8.637 8.637 8.265 0.372 18712 958 1 2 . 1 1 76 76 GLU N N 76 120.042 120.042 117.729 2.313 18712 959 1 2 . 1 1 76 76 GLU HA H 76 4.010 4.010 4.113 -0.103 18712 960 1 2 . 1 1 76 76 GLU CA C 76 58.281 58.281 58.984 -0.703 18712 961 1 2 . 1 1 76 76 GLU CB C 76 30.859 30.859 29.166 1.693 18712 962 1 2 . 1 1 76 76 GLU H H 76 7.847 7.847 7.794 0.053 18712 963 1 2 . 1 1 77 77 ARG N N 77 119.687 119.687 118.187 1.500 18712 964 1 2 . 1 1 77 77 ARG HA H 77 3.975 3.975 4.064 -0.089 18712 965 1 2 . 1 1 77 77 ARG CA C 77 58.984 58.984 59.193 -0.209 18712 966 1 2 . 1 1 77 77 ARG CB C 77 30.156 30.156 30.259 -0.103 18712 967 1 2 . 1 1 77 77 ARG H H 77 8.452 8.452 7.525 0.927 18712 968 1 2 . 1 1 78 78 LEU N N 78 120.250 120.250 118.311 1.939 18712 969 1 2 . 1 1 78 78 LEU HA H 78 4.210 4.210 4.390 -0.180 18712 970 1 2 . 1 1 78 78 LEU CA C 78 56.875 56.875 57.469 -0.594 18712 971 1 2 . 1 1 78 78 LEU CB C 78 42.109 42.109 41.852 0.257 18712 972 1 2 . 1 1 78 78 LEU H H 78 7.685 7.685 7.591 0.094 18712 973 1 2 . 1 1 79 79 LEU N N 79 119.265 119.265 119.810 -0.545 18712 974 1 2 . 1 1 79 79 LEU HA H 79 4.208 4.208 4.157 0.051 18712 975 1 2 . 1 1 79 79 LEU CA C 79 56.875 56.875 57.307 -0.432 18712 976 1 2 . 1 1 79 79 LEU CB C 79 42.109 42.109 40.324 1.785 18712 977 1 2 . 1 1 79 79 LEU H H 79 7.679 7.679 8.353 -0.674 18712 978 1 2 . 1 1 80 80 HIS N N 80 118.348 118.348 120.280 -1.932 18712 979 1 2 . 1 1 80 80 HIS HA H 80 4.422 4.422 4.165 0.257 18712 980 1 2 . 1 1 80 80 HIS CA C 80 57.578 57.578 59.797 -2.219 18712 981 1 2 . 1 1 80 80 HIS CB C 80 30.156 30.156 30.127 0.029 18712 982 1 2 . 1 1 80 80 HIS H H 80 8.127 8.127 7.777 0.350 18712 983 1 2 . 1 1 81 81 ALA N N 81 122.359 122.359 120.805 1.554 18712 984 1 2 . 1 1 81 81 ALA HA H 81 4.204 4.204 3.963 0.241 18712 985 1 2 . 1 1 81 81 ALA CA C 81 54.062 54.062 54.298 -0.236 18712 986 1 2 . 1 1 81 81 ALA CB C 81 18.906 18.906 17.962 0.944 18712 987 1 2 . 1 1 81 81 ALA H H 81 7.908 7.908 8.097 -0.189 18712 988 1 2 . 1 1 82 82 ILE N N 82 117.705 117.705 118.000 -0.295 18712 989 1 2 . 1 1 82 82 ILE HA H 82 3.972 3.972 3.861 0.111 18712 990 1 2 . 1 1 82 82 ILE CA C 82 62.500 62.500 62.674 -0.174 18712 991 1 2 . 1 1 82 82 ILE CB C 82 38.594 38.594 37.284 1.310 18712 992 1 2 . 1 1 82 82 ILE H H 82 7.780 7.780 7.167 0.613 18712 993 1 2 . 1 1 83 83 PHE N N 83 120.528 120.528 118.327 2.201 18712 994 1 2 . 1 1 83 83 PHE HA H 83 4.633 4.633 4.343 0.290 18712 995 1 2 . 1 1 83 83 PHE CA C 83 58.281 58.281 59.505 -1.224 18712 996 1 2 . 1 1 83 83 PHE CB C 83 40.000 40.000 40.027 -0.027 18712 997 1 2 . 1 1 83 83 PHE H H 83 8.227 8.227 8.098 0.129 18712 998 1 2 . 1 1 84 84 GLY N N 84 110.328 110.328 106.929 3.399 18712 999 1 2 . 1 1 84 84 GLY CA C 84 45.625 45.625 45.297 0.328 18712 1000 1 2 . 1 1 84 84 GLY H H 84 8.157 8.157 8.083 0.074 18712 1001 1 2 . 1 1 85 85 GLU N N 85 120.975 120.975 118.804 2.171 18712 1002 1 2 . 1 1 85 85 GLU HA H 85 4.234 4.234 4.521 -0.287 18712 1003 1 2 . 1 1 85 85 GLU CA C 85 57.226 57.226 55.929 1.297 18712 1004 1 2 . 1 1 85 85 GLU CB C 85 30.156 30.156 32.003 -1.847 18712 1005 1 2 . 1 1 85 85 GLU H H 85 8.374 8.374 7.830 0.544 18712 1006 1 2 . 1 1 86 86 LYS N N 86 121.202 121.202 126.153 -4.951 18712 1007 1 2 . 1 1 86 86 LYS HA H 86 4.291 4.291 4.207 0.084 18712 1008 1 2 . 1 1 86 86 LYS CA C 86 56.172 56.172 57.428 -1.256 18712 1009 1 2 . 1 1 86 86 LYS CB C 86 32.969 32.969 32.658 0.311 18712 1010 1 2 . 1 1 86 86 LYS H H 86 8.230 8.230 8.661 -0.431 18712 1011 1 2 . 1 1 87 87 ALA N N 87 124.596 124.596 126.142 -1.546 18712 1012 1 2 . 1 1 87 87 ALA HA H 87 4.236 4.236 4.501 -0.265 18712 1013 1 2 . 1 1 87 87 ALA CA C 87 52.656 52.656 51.350 1.306 18712 1014 1 2 . 1 1 87 87 ALA CB C 87 19.610 19.610 20.671 -1.061 18712 1015 1 2 . 1 1 87 87 ALA H H 87 8.179 8.179 8.287 -0.108 18712 1016 1 2 . 1 1 88 88 ARG N N 88 120.688 120.688 123.032 -2.344 18712 1017 1 2 . 1 1 88 88 ARG HA H 88 4.344 4.344 4.272 0.072 18712 1018 1 2 . 1 1 88 88 ARG CA C 88 56.172 56.172 56.093 0.079 18712 1019 1 2 . 1 1 88 88 ARG CB C 88 30.859 30.859 30.737 0.122 18712 1020 1 2 . 1 1 88 88 ARG H H 88 8.274 8.274 8.397 -0.123 18712 1021 1 2 . 1 1 89 89 GLU N N 89 124.469 124.469 122.614 1.855 18712 1022 1 2 . 1 1 89 89 GLU HA H 89 4.575 4.575 4.637 -0.062 18712 1023 1 2 . 1 1 89 89 GLU CA C 89 55.468 55.468 55.346 0.122 18712 1024 1 2 . 1 1 89 89 GLU CB C 89 30.156 30.156 32.958 -2.802 18712 1025 1 2 . 1 1 89 89 GLU H H 89 8.632 8.632 8.500 0.132 18712 1026 1 2 . 1 1 90 90 VAL N N 90 114.440 114.440 116.113 -1.673 18712 1027 1 2 . 1 1 90 90 VAL HA H 90 5.047 5.047 4.668 0.379 18712 1028 1 2 . 1 1 90 90 VAL CA C 90 58.984 58.984 59.718 -0.734 18712 1029 1 2 . 1 1 90 90 VAL CB C 90 36.484 36.484 34.989 1.495 18712 1030 1 2 . 1 1 90 90 VAL H H 90 8.246 8.246 8.326 -0.080 18712 1031 1 2 . 1 1 91 91 ARG N N 91 118.602 118.602 121.618 -3.016 18712 1032 1 2 . 1 1 91 91 ARG HA H 91 4.771 4.771 4.598 0.173 18712 1033 1 2 . 1 1 91 91 ARG CB C 91 33.672 33.672 32.675 0.997 18712 1034 1 2 . 1 1 91 91 ARG H H 91 9.062 9.062 8.298 0.764 18712 1035 1 2 . 1 1 92 92 ASP N N 92 121.656 121.656 126.013 -4.357 18712 1036 1 2 . 1 1 92 92 ASP HA H 92 4.754 4.754 4.521 0.233 18712 1037 1 2 . 1 1 92 92 ASP CB C 92 41.406 41.406 40.456 0.950 18712 1038 1 2 . 1 1 92 92 ASP H H 92 8.770 8.770 8.760 0.010 18712 1039 1 2 . 1 1 93 93 THR N N 93 124.654 124.654 112.198 12.456 18712 1040 1 2 . 1 1 93 93 THR HA H 93 4.586 4.586 4.385 0.201 18712 1041 1 2 . 1 1 93 93 THR CA C 93 60.390 60.390 60.828 -0.438 18712 1042 1 2 . 1 1 93 93 THR CB C 93 66.718 66.718 69.343 -2.625 18712 1043 1 2 . 1 1 93 93 THR H H 93 9.253 9.253 7.808 1.445 18712 1044 1 2 . 1 1 94 94 SER N N 94 117.437 117.437 118.087 -0.650 18712 1045 1 2 . 1 1 94 94 SER HA H 94 4.455 4.455 4.486 -0.031 18712 1046 1 2 . 1 1 94 94 SER CA C 94 60.390 60.390 58.094 2.296 18712 1047 1 2 . 1 1 94 94 SER CB C 94 63.906 63.906 63.918 -0.012 18712 1048 1 2 . 1 1 94 94 SER H H 94 8.564 8.564 7.748 0.816 18712 1049 1 2 . 1 1 95 95 LEU N N 95 125.594 125.594 118.858 6.736 18712 1050 1 2 . 1 1 95 95 LEU HA H 95 4.684 4.684 4.501 0.183 18712 1051 1 2 . 1 1 95 95 LEU CB C 95 43.516 43.516 42.818 0.698 18712 1052 1 2 . 1 1 95 95 LEU H H 95 8.964 8.964 8.331 0.633 18712 1053 1 2 . 1 1 96 96 ARG N N 96 128.669 128.669 121.661 7.008 18712 1054 1 2 . 1 1 96 96 ARG HA H 96 5.061 5.061 4.453 0.608 18712 1055 1 2 . 1 1 96 96 ARG CA C 96 54.062 54.062 55.279 -1.218 18712 1056 1 2 . 1 1 96 96 ARG CB C 96 34.375 34.375 30.747 3.627 18712 1057 1 2 . 1 1 96 96 ARG H H 96 8.709 8.709 8.490 0.219 18712 1058 1 2 . 1 1 97 97 VAL N N 97 121.375 121.375 126.588 -5.213 18712 1059 1 2 . 1 1 97 97 VAL HA H 97 3.386 3.386 4.389 -1.003 18712 1060 1 2 . 1 1 97 97 VAL CA C 97 61.093 61.093 59.161 1.932 18712 1061 1 2 . 1 1 97 97 VAL CB C 97 32.266 32.266 33.737 -1.471 18712 1062 1 2 . 1 1 97 97 VAL H H 97 8.745 8.745 8.453 0.292 18712 1063 1 2 . 1 1 98 98 PRO HA H 98 4.543 4.543 4.499 0.044 18712 1064 1 2 . 1 1 98 98 PRO CA C 98 62.500 62.500 62.347 0.152 18712 1065 1 2 . 1 1 98 98 PRO CB C 98 32.969 32.969 32.425 0.544 18712 1066 1 2 . 1 1 99 99 HIS N N 99 118.140 118.140 115.693 2.447 18712 1067 1 2 . 1 1 99 99 HIS HA H 99 4.272 4.272 4.408 -0.136 18712 1068 1 2 . 1 1 99 99 HIS CA C 99 58.281 58.281 56.588 1.693 18712 1069 1 2 . 1 1 99 99 HIS CB C 99 30.156 30.156 29.184 0.972 18712 1070 1 2 . 1 1 99 99 HIS H H 99 8.368 8.368 8.260 0.108 18712 1071 1 2 . 1 1 100 100 GLY N N 100 116.101 116.101 115.248 0.853 18712 1072 1 2 . 1 1 100 100 GLY CA C 100 45.625 45.625 45.363 0.262 18712 1073 1 2 . 1 1 100 100 GLY H H 100 9.411 9.411 8.890 0.521 18712 1074 1 2 . 1 1 101 101 GLY N N 101 108.798 108.798 109.562 -0.764 18712 1075 1 2 . 1 1 101 101 GLY CA C 101 45.625 45.625 45.644 -0.019 18712 1076 1 2 . 1 1 101 101 GLY H H 101 8.399 8.399 7.915 0.484 18712 1077 1 2 . 1 1 102 102 GLY N N 102 105.967 105.967 108.375 -2.408 18712 1078 1 2 . 1 1 102 102 GLY CA C 102 45.625 45.625 45.470 0.155 18712 1079 1 2 . 1 1 102 102 GLY H H 102 8.310 8.310 8.348 -0.038 18712 1080 1 2 . 1 1 103 103 GLY N N 103 107.574 107.574 107.023 0.551 18712 1081 1 2 . 1 1 103 103 GLY CA C 103 46.328 46.328 43.659 2.669 18712 1082 1 2 . 1 1 103 103 GLY H H 103 8.075 8.075 7.567 0.508 18712 1083 1 2 . 1 1 104 104 ILE N N 104 122.219 122.219 118.699 3.520 18712 1084 1 2 . 1 1 104 104 ILE HA H 104 5.075 5.075 4.433 0.642 18712 1085 1 2 . 1 1 104 104 ILE CA C 104 58.281 58.281 60.148 -1.867 18712 1086 1 2 . 1 1 104 104 ILE CB C 104 40.703 40.703 42.405 -1.702 18712 1087 1 2 . 1 1 104 104 ILE H H 104 8.269 8.269 7.652 0.617 18712 1088 1 2 . 1 1 105 105 ILE N N 105 124.237 124.237 124.609 -0.372 18712 1089 1 2 . 1 1 105 105 ILE HA H 105 4.312 4.312 4.340 -0.028 18712 1090 1 2 . 1 1 105 105 ILE CA C 105 60.390 60.390 61.050 -0.660 18712 1091 1 2 . 1 1 105 105 ILE CB C 105 34.375 34.375 35.002 -0.627 18712 1092 1 2 . 1 1 105 105 ILE H H 105 8.965 8.965 8.351 0.614 18712 1093 1 2 . 1 1 106 106 HIS N N 106 135.053 135.053 127.977 7.076 18712 1094 1 2 . 1 1 106 106 HIS HA H 106 4.506 4.506 4.705 -0.199 18712 1095 1 2 . 1 1 106 106 HIS CA C 106 57.578 57.578 56.889 0.689 18712 1096 1 2 . 1 1 106 106 HIS CB C 106 33.672 33.672 31.813 1.859 18712 1097 1 2 . 1 1 106 106 HIS H H 106 9.604 9.604 8.367 1.237 18712 1098 1 2 . 1 1 107 107 ASP N N 107 112.528 112.528 118.973 -6.445 18712 1099 1 2 . 1 1 107 107 ASP HA H 107 4.707 4.707 4.797 -0.090 18712 1100 1 2 . 1 1 107 107 ASP CB C 107 42.812 42.812 44.146 -1.334 18712 1101 1 2 . 1 1 107 107 ASP H H 107 7.930 7.930 7.723 0.207 18712 1102 1 2 . 1 1 108 108 VAL N N 108 121.656 121.656 120.411 1.245 18712 1103 1 2 . 1 1 108 108 VAL HA H 108 5.028 5.028 4.586 0.442 18712 1104 1 2 . 1 1 108 108 VAL CA C 108 61.796 61.796 61.491 0.305 18712 1105 1 2 . 1 1 108 108 VAL CB C 108 36.484 36.484 34.767 1.717 18712 1106 1 2 . 1 1 108 108 VAL H H 108 8.325 8.325 8.354 -0.029 18712 1107 1 2 . 1 1 109 109 LYS N N 109 126.798 126.798 128.432 -1.634 18712 1108 1 2 . 1 1 109 109 LYS HA H 109 4.676 4.676 4.635 0.041 18712 1109 1 2 . 1 1 109 109 LYS CB C 109 37.187 37.187 34.862 2.325 18712 1110 1 2 . 1 1 109 109 LYS H H 109 9.417 9.417 8.858 0.559 18712 1111 1 2 . 1 1 110 110 VAL N N 110 121.892 121.892 122.305 -0.413 18712 1112 1 2 . 1 1 110 110 VAL HA H 110 4.676 4.676 4.330 0.346 18712 1113 1 2 . 1 1 110 110 VAL CB C 110 33.672 33.672 34.308 -0.636 18712 1114 1 2 . 1 1 110 110 VAL H H 110 8.206 8.206 8.043 0.163 18712 1115 1 2 . 1 1 111 111 PHE N N 111 126.578 126.578 127.883 -1.305 18712 1116 1 2 . 1 1 111 111 PHE HA H 111 4.995 4.995 4.814 0.180 18712 1117 1 2 . 1 1 111 111 PHE CA C 111 56.172 56.172 55.807 0.365 18712 1118 1 2 . 1 1 111 111 PHE CB C 111 42.109 42.109 41.270 0.839 18712 1119 1 2 . 1 1 111 111 PHE H H 111 9.459 9.459 9.187 0.272 18712 1120 1 2 . 1 1 112 112 ASN N N 112 121.797 121.797 119.443 2.354 18712 1121 1 2 . 1 1 112 112 ASN HA H 112 5.425 5.425 5.227 0.198 18712 1122 1 2 . 1 1 112 112 ASN CA C 112 52.656 52.656 52.437 0.219 18712 1123 1 2 . 1 1 112 112 ASN CB C 112 42.109 42.109 42.236 -0.127 18712 1124 1 2 . 1 1 112 112 ASN H H 112 10.663 10.663 9.112 1.551 18712 1125 1 2 . 1 1 113 113 ARG N N 113 130.516 130.516 125.272 5.244 18712 1126 1 2 . 1 1 113 113 ARG HA H 113 4.435 4.435 4.253 0.182 18712 1127 1 2 . 1 1 113 113 ARG CA C 113 59.687 59.687 59.227 0.460 18712 1128 1 2 . 1 1 113 113 ARG CB C 113 30.859 30.859 29.885 0.974 18712 1129 1 2 . 1 1 113 113 ARG H H 113 9.138 9.138 8.864 0.274 18712 1130 1 2 . 1 1 114 114 GLU N N 114 119.008 119.008 119.636 -0.628 18712 1131 1 2 . 1 1 114 114 GLU HA H 114 4.142 4.142 4.097 0.045 18712 1132 1 2 . 1 1 114 114 GLU CA C 114 58.281 58.281 58.671 -0.390 18712 1133 1 2 . 1 1 114 114 GLU CB C 114 29.453 29.453 29.013 0.440 18712 1134 1 2 . 1 1 114 114 GLU H H 114 8.924 8.924 8.102 0.822 18712 1135 1 2 . 1 1 115 115 ASP N N 115 116.593 116.593 117.139 -0.546 18712 1136 1 2 . 1 1 115 115 ASP HA H 115 4.869 4.869 4.602 0.267 18712 1137 1 2 . 1 1 115 115 ASP CA C 115 54.062 54.062 54.294 -0.232 18712 1138 1 2 . 1 1 115 115 ASP CB C 115 42.109 42.109 41.439 0.670 18712 1139 1 2 . 1 1 115 115 ASP H H 115 7.356 7.356 7.913 -0.557 18712 1140 1 2 . 1 1 116 116 GLY N N 116 106.689 106.689 107.296 -0.607 18712 1141 1 2 . 1 1 116 116 GLY CA C 116 44.922 44.922 44.609 0.313 18712 1142 1 2 . 1 1 116 116 GLY H H 116 7.918 7.918 7.711 0.207 18712 1143 1 2 . 1 1 117 117 ASP N N 117 119.329 119.329 121.883 -2.554 18712 1144 1 2 . 1 1 117 117 ASP HA H 117 4.632 4.632 4.674 -0.042 18712 1145 1 2 . 1 1 117 117 ASP CA C 117 55.468 55.468 53.924 1.544 18712 1146 1 2 . 1 1 117 117 ASP CB C 117 41.406 41.406 41.331 0.075 18712 1147 1 2 . 1 1 117 117 ASP H H 117 7.220 7.220 7.925 -0.705 18712 1148 1 2 . 1 1 118 118 GLU N N 118 123.484 123.484 125.255 -1.771 18712 1149 1 2 . 1 1 118 118 GLU HA H 118 4.240 4.240 4.267 -0.027 18712 1150 1 2 . 1 1 118 118 GLU CA C 118 56.875 56.875 56.889 -0.014 18712 1151 1 2 . 1 1 118 118 GLU CB C 118 29.453 29.453 30.461 -1.008 18712 1152 1 2 . 1 1 118 118 GLU H H 118 8.626 8.626 8.491 0.135 18712 1153 1 2 . 1 1 119 119 LEU N N 119 129.139 129.139 125.945 3.194 18712 1154 1 2 . 1 1 119 119 LEU HA H 119 4.759 4.759 4.785 -0.026 18712 1155 1 2 . 1 1 119 119 LEU CB C 119 44.219 44.219 43.688 0.531 18712 1156 1 2 . 1 1 119 119 LEU H H 119 8.106 8.106 8.271 -0.165 18712 1157 1 2 . 1 1 120 120 PRO CB C 120 31.914 31.914 30.795 1.119 18712 1158 1 2 . 1 1 121 121 PRO HA H 121 4.269 4.269 4.329 -0.060 18712 1159 1 2 . 1 1 121 121 PRO CA C 121 63.906 63.906 63.734 0.172 18712 1160 1 2 . 1 1 121 121 PRO CB C 121 31.563 31.563 31.042 0.521 18712 1161 1 2 . 1 1 122 122 GLY N N 122 112.656 112.656 111.588 1.068 18712 1162 1 2 . 1 1 122 122 GLY CA C 122 45.625 45.625 44.900 0.725 18712 1163 1 2 . 1 1 122 122 GLY H H 122 8.827 8.827 8.705 0.122 18712 1164 1 2 . 1 1 123 123 VAL N N 123 119.406 119.406 119.441 -0.035 18712 1165 1 2 . 1 1 123 123 VAL HA H 123 4.017 4.017 4.532 -0.515 18712 1166 1 2 . 1 1 123 123 VAL CA C 123 62.851 62.851 61.776 1.075 18712 1167 1 2 . 1 1 123 123 VAL CB C 123 32.266 32.266 33.395 -1.129 18712 1168 1 2 . 1 1 123 123 VAL H H 123 7.845 7.845 7.424 0.421 18712 1169 1 2 . 1 1 124 124 ASN N N 124 124.609 124.609 120.624 3.985 18712 1170 1 2 . 1 1 124 124 ASN HA H 124 4.877 4.877 4.915 -0.038 18712 1171 1 2 . 1 1 124 124 ASN CA C 124 54.765 54.765 53.379 1.387 18712 1172 1 2 . 1 1 124 124 ASN CB C 124 40.000 40.000 41.431 -1.431 18712 1173 1 2 . 1 1 124 124 ASN H H 124 9.206 9.206 8.773 0.433 18712 1174 1 2 . 1 1 125 125 GLN N N 125 117.959 117.959 115.364 2.595 18712 1175 1 2 . 1 1 125 125 GLN HA H 125 5.234 5.234 4.648 0.586 18712 1176 1 2 . 1 1 125 125 GLN CA C 125 56.172 56.172 55.105 1.067 18712 1177 1 2 . 1 1 125 125 GLN CB C 125 33.672 33.672 33.261 0.410 18712 1178 1 2 . 1 1 125 125 GLN H H 125 7.756 7.756 7.599 0.157 18712 1179 1 2 . 1 1 126 126 LEU N N 126 125.559 125.559 122.360 3.199 18712 1180 1 2 . 1 1 126 126 LEU HA H 126 5.261 5.261 4.847 0.414 18712 1181 1 2 . 1 1 126 126 LEU CA C 126 54.765 54.765 54.478 0.287 18712 1182 1 2 . 1 1 126 126 LEU CB C 126 47.734 47.734 46.248 1.486 18712 1183 1 2 . 1 1 126 126 LEU H H 126 8.866 8.866 8.241 0.625 18712 1184 1 2 . 1 1 127 127 VAL N N 127 126.578 126.578 124.604 1.974 18712 1185 1 2 . 1 1 127 127 VAL HA H 127 5.127 5.127 4.543 0.584 18712 1186 1 2 . 1 1 127 127 VAL CA C 127 60.390 60.390 60.956 -0.566 18712 1187 1 2 . 1 1 127 127 VAL CB C 127 35.078 35.078 35.790 -0.712 18712 1188 1 2 . 1 1 127 127 VAL H H 127 9.367 9.367 8.964 0.403 18712 1189 1 2 . 1 1 128 128 ARG N N 128 126.578 126.578 125.054 1.524 18712 1190 1 2 . 1 1 128 128 ARG HA H 128 5.259 5.259 5.243 0.016 18712 1191 1 2 . 1 1 128 128 ARG CA C 128 54.765 54.765 54.442 0.323 18712 1192 1 2 . 1 1 128 128 ARG CB C 128 33.672 33.672 33.811 -0.139 18712 1193 1 2 . 1 1 128 128 ARG H H 128 9.502 9.502 8.628 0.874 18712 1194 1 2 . 1 1 129 129 VAL N N 129 123.977 123.977 123.140 0.837 18712 1195 1 2 . 1 1 129 129 VAL HA H 129 4.489 4.489 4.324 0.165 18712 1196 1 2 . 1 1 129 129 VAL CA C 129 61.093 61.093 62.047 -0.954 18712 1197 1 2 . 1 1 129 129 VAL CB C 129 35.078 35.078 33.751 1.327 18712 1198 1 2 . 1 1 129 129 VAL H H 129 9.051 9.051 8.116 0.935 18712 1199 1 2 . 1 1 130 130 TYR N N 130 124.673 124.673 124.631 0.042 18712 1200 1 2 . 1 1 130 130 TYR HA H 130 5.419 5.419 5.139 0.280 18712 1201 1 2 . 1 1 130 130 TYR CA C 130 56.172 56.172 56.388 -0.216 18712 1202 1 2 . 1 1 130 130 TYR CB C 130 39.297 39.297 40.774 -1.477 18712 1203 1 2 . 1 1 130 130 TYR H H 130 8.650 8.650 8.711 -0.061 18712 1204 1 2 . 1 1 131 131 ILE N N 131 125.227 125.227 123.252 1.975 18712 1205 1 2 . 1 1 131 131 ILE HA H 131 4.869 4.869 4.757 0.112 18712 1206 1 2 . 1 1 131 131 ILE CB C 131 40.000 40.000 42.384 -2.384 18712 1207 1 2 . 1 1 131 131 ILE H H 131 9.509 9.509 8.189 1.320 18712 1208 1 2 . 1 1 132 132 VAL N N 132 126.859 126.859 122.892 3.967 18712 1209 1 2 . 1 1 132 132 VAL HA H 132 4.729 4.729 5.157 -0.428 18712 1210 1 2 . 1 1 132 132 VAL CA C 132 61.093 61.093 59.734 1.359 18712 1211 1 2 . 1 1 132 132 VAL CB C 132 33.672 33.672 33.117 0.555 18712 1212 1 2 . 1 1 132 132 VAL H H 132 9.606 9.606 8.080 1.526 18712 1213 1 2 . 1 1 133 133 GLN N N 133 128.406 128.406 127.740 0.666 18712 1214 1 2 . 1 1 133 133 GLN HA H 133 4.751 4.751 4.472 0.279 18712 1215 1 2 . 1 1 133 133 GLN CA C 133 54.765 54.765 56.738 -1.973 18712 1216 1 2 . 1 1 133 133 GLN CB C 133 31.563 31.563 29.751 1.812 18712 1217 1 2 . 1 1 133 133 GLN H H 133 9.153 9.153 8.171 0.982 18712 1218 1 2 . 1 1 134 134 LYS N N 134 122.929 122.929 124.596 -1.667 18712 1219 1 2 . 1 1 134 134 LYS HA H 134 4.725 4.725 4.455 0.270 18712 1220 1 2 . 1 1 134 134 LYS CA C 134 56.172 56.172 55.373 0.799 18712 1221 1 2 . 1 1 134 134 LYS CB C 134 33.320 33.320 33.526 -0.206 18712 1222 1 2 . 1 1 134 134 LYS H H 134 8.561 8.561 8.149 0.412 18712 1223 1 2 . 1 1 135 135 ARG N N 135 123.484 123.484 121.705 1.779 18712 1224 1 2 . 1 1 135 135 ARG HA H 135 4.503 4.503 4.197 0.306 18712 1225 1 2 . 1 1 135 135 ARG CA C 135 55.468 55.468 56.326 -0.858 18712 1226 1 2 . 1 1 135 135 ARG CB C 135 32.266 32.266 30.054 2.212 18712 1227 1 2 . 1 1 135 135 ARG H H 135 8.596 8.596 8.354 0.242 18712 1228 1 2 . 1 1 136 136 LYS N N 136 123.906 123.906 121.099 2.807 18712 1229 1 2 . 1 1 136 136 LYS HA H 136 4.467 4.467 4.512 -0.045 18712 1230 1 2 . 1 1 136 136 LYS CA C 136 56.172 56.172 54.947 1.225 18712 1231 1 2 . 1 1 136 136 LYS CB C 136 32.969 32.969 34.441 -1.472 18712 1232 1 2 . 1 1 136 136 LYS H H 136 8.608 8.608 8.134 0.474 18712 1233 1 2 . 1 1 137 137 ILE N N 137 123.571 123.571 118.765 4.806 18712 1234 1 2 . 1 1 137 137 ILE HA H 137 4.184 4.184 4.119 0.065 18712 1235 1 2 . 1 1 137 137 ILE CA C 137 61.093 61.093 61.824 -0.731 18712 1236 1 2 . 1 1 137 137 ILE CB C 137 38.594 38.594 38.417 0.177 18712 1237 1 2 . 1 1 137 137 ILE H H 137 8.353 8.353 8.295 0.058 18712 1238 1 2 . 1 1 138 138 SER N N 138 119.547 119.547 117.751 1.796 18712 1239 1 2 . 1 1 138 138 SER HA H 138 4.503 4.503 4.253 0.250 18712 1240 1 2 . 1 1 138 138 SER CA C 138 58.281 58.281 59.135 -0.854 18712 1241 1 2 . 1 1 138 138 SER CB C 138 63.906 63.906 63.783 0.123 18712 1242 1 2 . 1 1 138 138 SER H H 138 8.410 8.410 8.338 0.072 18712 1243 1 2 . 1 1 139 139 GLU N N 139 123.281 123.281 127.571 -4.290 18712 1244 1 2 . 1 1 139 139 GLU HA H 139 4.307 4.307 4.096 0.211 18712 1245 1 2 . 1 1 139 139 GLU CA C 139 56.875 56.875 57.858 -0.983 18712 1246 1 2 . 1 1 139 139 GLU CB C 139 30.156 30.156 30.027 0.129 18712 1247 1 2 . 1 1 139 139 GLU H H 139 8.489 8.489 8.759 -0.270 18712 1248 1 2 . 1 1 140 140 GLY N N 140 109.792 109.792 106.855 2.937 18712 1249 1 2 . 1 1 140 140 GLY CA C 140 45.625 45.625 45.735 -0.110 18712 1250 1 2 . 1 1 140 140 GLY H H 140 8.418 8.418 8.549 -0.131 18712 1251 1 3 . 1 1 4 4 VAL N N 4 119.125 119.125 121.688 -2.563 18712 1252 1 3 . 1 1 4 4 VAL HA H 4 4.070 4.070 4.288 -0.218 18712 1253 1 3 . 1 1 4 4 VAL CA C 4 62.500 62.500 61.325 1.175 18712 1254 1 3 . 1 1 4 4 VAL CB C 4 32.969 32.969 33.115 -0.146 18712 1255 1 3 . 1 1 4 4 VAL H H 4 7.998 7.998 8.207 -0.209 18712 1256 1 3 . 1 1 5 5 TYR N N 5 122.640 122.640 123.548 -0.908 18712 1257 1 3 . 1 1 5 5 TYR HA H 5 4.674 4.674 4.877 -0.203 18712 1258 1 3 . 1 1 5 5 TYR CA C 5 58.281 58.281 56.142 2.139 18712 1259 1 3 . 1 1 5 5 TYR CB C 5 38.594 38.594 39.528 -0.934 18712 1260 1 3 . 1 1 5 5 TYR H H 5 8.305 8.305 7.814 0.491 18712 1261 1 3 . 1 1 6 6 THR N N 6 114.861 114.861 114.619 0.242 18712 1262 1 3 . 1 1 6 6 THR HA H 6 4.548 4.548 4.505 0.043 18712 1263 1 3 . 1 1 6 6 THR CA C 6 61.796 61.796 60.207 1.589 18712 1264 1 3 . 1 1 6 6 THR CB C 6 70.234 70.234 70.528 -0.295 18712 1265 1 3 . 1 1 6 6 THR H H 6 8.003 8.003 8.240 -0.237 18712 1266 1 3 . 1 1 7 7 SER N N 7 118.140 118.140 114.891 3.249 18712 1267 1 3 . 1 1 7 7 SER HA H 7 4.600 4.600 4.570 0.030 18712 1268 1 3 . 1 1 7 7 SER CA C 7 57.578 57.578 57.990 -0.412 18712 1269 1 3 . 1 1 7 7 SER CB C 7 64.609 64.609 63.680 0.929 18712 1270 1 3 . 1 1 7 7 SER H H 7 8.487 8.487 8.057 0.430 18712 1271 1 3 . 1 1 8 8 ILE N N 8 121.375 121.375 120.844 0.531 18712 1272 1 3 . 1 1 8 8 ILE HA H 8 4.627 4.627 4.538 0.089 18712 1273 1 3 . 1 1 8 8 ILE CA C 8 60.390 60.390 61.089 -0.699 18712 1274 1 3 . 1 1 8 8 ILE CB C 8 40.000 40.000 38.633 1.367 18712 1275 1 3 . 1 1 8 8 ILE H H 8 8.139 8.139 8.394 -0.255 18712 1276 1 3 . 1 1 9 9 HIS N N 9 125.734 125.734 126.995 -1.261 18712 1277 1 3 . 1 1 9 9 HIS HA H 9 4.768 4.768 4.861 -0.093 18712 1278 1 3 . 1 1 9 9 HIS CB C 9 32.617 32.617 33.457 -0.840 18712 1279 1 3 . 1 1 9 9 HIS H H 9 8.743 8.743 8.694 0.049 18712 1280 1 3 . 1 1 10 10 ILE N N 10 125.875 125.875 122.440 3.435 18712 1281 1 3 . 1 1 10 10 ILE HA H 10 4.806 4.806 4.587 0.219 18712 1282 1 3 . 1 1 10 10 ILE CB C 10 39.297 39.297 38.304 0.993 18712 1283 1 3 . 1 1 10 10 ILE H H 10 8.035 8.035 8.512 -0.477 18712 1284 1 3 . 1 1 11 11 GLU N N 11 129.438 129.438 127.658 1.780 18712 1285 1 3 . 1 1 11 11 GLU HA H 11 4.472 4.472 4.514 -0.042 18712 1286 1 3 . 1 1 11 11 GLU CA C 11 54.062 54.062 55.396 -1.334 18712 1287 1 3 . 1 1 11 11 GLU CB C 11 32.617 32.617 31.591 1.026 18712 1288 1 3 . 1 1 11 11 GLU H H 11 8.934 8.934 8.909 0.025 18712 1289 1 3 . 1 1 12 12 GLU N N 12 123.983 123.983 119.537 4.446 18712 1290 1 3 . 1 1 12 12 GLU HA H 12 4.752 4.752 4.855 -0.103 18712 1291 1 3 . 1 1 12 12 GLU CA C 12 54.062 54.062 55.008 -0.946 18712 1292 1 3 . 1 1 12 12 GLU CB C 12 32.617 32.617 30.936 1.681 18712 1293 1 3 . 1 1 12 12 GLU H H 12 8.192 8.192 8.364 -0.172 18712 1294 1 3 . 1 1 13 13 TYR N N 13 122.826 122.826 124.138 -1.312 18712 1295 1 3 . 1 1 13 13 TYR HA H 13 4.741 4.741 4.731 0.010 18712 1296 1 3 . 1 1 13 13 TYR CB C 13 42.812 42.812 41.513 1.299 18712 1297 1 3 . 1 1 13 13 TYR H H 13 8.926 8.926 8.226 0.700 18712 1298 1 3 . 1 1 14 14 GLU N N 14 119.329 119.329 123.063 -3.734 18712 1299 1 3 . 1 1 14 14 GLU HA H 14 5.647 5.647 4.545 1.102 18712 1300 1 3 . 1 1 14 14 GLU CA C 14 54.765 54.765 55.544 -0.779 18712 1301 1 3 . 1 1 14 14 GLU CB C 14 34.375 34.375 32.527 1.848 18712 1302 1 3 . 1 1 14 14 GLU H H 14 8.716 8.716 8.577 0.139 18712 1303 1 3 . 1 1 15 15 SER N N 15 116.172 116.172 118.028 -1.856 18712 1304 1 3 . 1 1 15 15 SER HA H 15 4.616 4.616 4.699 -0.083 18712 1305 1 3 . 1 1 15 15 SER CA C 15 57.578 57.578 58.466 -0.888 18712 1306 1 3 . 1 1 15 15 SER CB C 15 66.015 66.015 64.716 1.299 18712 1307 1 3 . 1 1 15 15 SER H H 15 8.922 8.922 8.386 0.536 18712 1308 1 3 . 1 1 16 16 GLU N N 16 125.172 125.172 125.656 -0.484 18712 1309 1 3 . 1 1 16 16 GLU HA H 16 5.082 5.082 4.842 0.240 18712 1310 1 3 . 1 1 16 16 GLU CA C 16 54.062 54.062 53.745 0.317 18712 1311 1 3 . 1 1 16 16 GLU CB C 16 32.969 32.969 33.561 -0.592 18712 1312 1 3 . 1 1 16 16 GLU H H 16 8.587 8.587 8.269 0.318 18712 1313 1 3 . 1 1 17 17 ALA N N 17 124.890 124.890 126.579 -1.689 18712 1314 1 3 . 1 1 17 17 ALA HA H 17 4.969 4.969 4.447 0.522 18712 1315 1 3 . 1 1 17 17 ALA CA C 17 50.547 50.547 51.572 -1.024 18712 1316 1 3 . 1 1 17 17 ALA CB C 17 19.610 19.610 19.276 0.334 18712 1317 1 3 . 1 1 17 17 ALA H H 17 9.000 9.000 8.269 0.731 18712 1318 1 3 . 1 1 18 18 ARG N N 18 125.376 125.376 125.745 -0.369 18712 1319 1 3 . 1 1 18 18 ARG HA H 18 5.175 5.175 5.046 0.129 18712 1320 1 3 . 1 1 18 18 ARG CA C 18 54.765 54.765 54.734 0.031 18712 1321 1 3 . 1 1 18 18 ARG CB C 18 34.375 34.375 31.089 3.286 18712 1322 1 3 . 1 1 18 18 ARG H H 18 9.624 9.624 7.971 1.653 18712 1323 1 3 . 1 1 19 19 ASP N N 19 119.828 119.828 123.973 -4.145 18712 1324 1 3 . 1 1 19 19 ASP HA H 19 4.685 4.685 4.434 0.251 18712 1325 1 3 . 1 1 19 19 ASP CA C 19 55.117 55.117 54.508 0.609 18712 1326 1 3 . 1 1 19 19 ASP CB C 19 41.406 41.406 41.105 0.301 18712 1327 1 3 . 1 1 19 19 ASP H H 19 8.420 8.420 8.325 0.095 18712 1328 1 3 . 1 1 20 20 THR N N 20 112.948 112.948 114.772 -1.824 18712 1329 1 3 . 1 1 20 20 THR HA H 20 4.979 4.979 4.364 0.615 18712 1330 1 3 . 1 1 20 20 THR CA C 20 60.390 60.390 61.213 -0.823 18712 1331 1 3 . 1 1 20 20 THR CB C 20 73.046 73.046 70.175 2.871 18712 1332 1 3 . 1 1 20 20 THR H H 20 7.602 7.602 8.130 -0.528 18712 1333 1 3 . 1 1 21 21 LYS HA H 21 4.146 4.146 4.298 -0.152 18712 1334 1 3 . 1 1 21 21 LYS CA C 21 58.984 58.984 57.933 1.051 18712 1335 1 3 . 1 1 21 21 LYS CB C 21 32.266 32.266 31.456 0.810 18712 1336 1 3 . 1 1 22 22 LEU N N 22 117.346 117.346 120.628 -3.282 18712 1337 1 3 . 1 1 22 22 LEU HA H 22 4.532 4.532 4.472 0.060 18712 1338 1 3 . 1 1 22 22 LEU CA C 22 54.062 54.062 54.507 -0.445 18712 1339 1 3 . 1 1 22 22 LEU CB C 22 42.812 42.812 41.885 0.927 18712 1340 1 3 . 1 1 22 22 LEU H H 22 7.848 7.848 7.385 0.463 18712 1341 1 3 . 1 1 23 23 GLY N N 23 108.437 108.437 109.442 -1.005 18712 1342 1 3 . 1 1 23 23 GLY CA C 23 43.516 43.516 44.368 -0.852 18712 1343 1 3 . 1 1 23 23 GLY H H 23 7.407 7.407 7.378 0.029 18712 1344 1 3 . 1 1 24 24 PRO HA H 24 4.894 4.894 4.558 0.336 18712 1345 1 3 . 1 1 24 24 PRO CA C 24 63.906 63.906 62.743 1.163 18712 1346 1 3 . 1 1 24 24 PRO CB C 24 31.563 31.563 32.893 -1.330 18712 1347 1 3 . 1 1 25 25 GLU N N 25 118.281 118.281 117.721 0.560 18712 1348 1 3 . 1 1 25 25 GLU HA H 25 4.621 4.621 4.316 0.305 18712 1349 1 3 . 1 1 25 25 GLU CA C 25 56.523 56.523 56.759 -0.236 18712 1350 1 3 . 1 1 25 25 GLU CB C 25 32.266 32.266 30.763 1.503 18712 1351 1 3 . 1 1 25 25 GLU H H 25 8.341 8.341 8.766 -0.425 18712 1352 1 3 . 1 1 26 26 GLU N N 26 119.406 119.406 118.724 0.682 18712 1353 1 3 . 1 1 26 26 GLU HA H 26 4.710 4.710 4.416 0.294 18712 1354 1 3 . 1 1 26 26 GLU CA C 26 54.765 54.765 55.426 -0.661 18712 1355 1 3 . 1 1 26 26 GLU CB C 26 33.672 33.672 31.113 2.559 18712 1356 1 3 . 1 1 26 26 GLU H H 26 8.336 8.336 7.636 0.700 18712 1357 1 3 . 1 1 27 27 ILE N N 27 127.472 127.472 121.782 5.690 18712 1358 1 3 . 1 1 27 27 ILE HA H 27 5.009 5.009 4.181 0.828 18712 1359 1 3 . 1 1 27 27 ILE CA C 27 60.390 60.390 61.928 -1.538 18712 1360 1 3 . 1 1 27 27 ILE CB C 27 37.187 37.187 38.757 -1.570 18712 1361 1 3 . 1 1 27 27 ILE H H 27 8.405 8.405 8.539 -0.134 18712 1362 1 3 . 1 1 28 28 THR N N 28 124.387 124.387 119.136 5.251 18712 1363 1 3 . 1 1 28 28 THR HA H 28 4.492 4.492 4.598 -0.106 18712 1364 1 3 . 1 1 28 28 THR CA C 28 59.687 59.687 60.493 -0.806 18712 1365 1 3 . 1 1 28 28 THR CB C 28 68.125 68.125 70.622 -2.497 18712 1366 1 3 . 1 1 28 28 THR H H 28 8.191 8.191 8.385 -0.194 18712 1367 1 3 . 1 1 29 29 ARG N N 29 120.568 120.568 121.072 -0.504 18712 1368 1 3 . 1 1 29 29 ARG HA H 29 4.202 4.202 4.710 -0.508 18712 1369 1 3 . 1 1 29 29 ARG CA C 29 55.468 55.468 54.724 0.744 18712 1370 1 3 . 1 1 29 29 ARG CB C 29 32.266 32.266 31.687 0.579 18712 1371 1 3 . 1 1 29 29 ARG H H 29 7.995 7.995 8.383 -0.388 18712 1372 1 3 . 1 1 30 30 ASP N N 30 123.906 123.906 123.764 0.142 18712 1373 1 3 . 1 1 30 30 ASP HA H 30 4.619 4.619 4.747 -0.128 18712 1374 1 3 . 1 1 30 30 ASP CA C 30 53.359 53.359 54.057 -0.698 18712 1375 1 3 . 1 1 30 30 ASP CB C 30 38.594 38.594 41.986 -3.392 18712 1376 1 3 . 1 1 30 30 ASP H H 30 8.784 8.784 8.573 0.211 18712 1377 1 3 . 1 1 31 31 ILE N N 31 123.422 123.422 123.396 0.026 18712 1378 1 3 . 1 1 31 31 ILE HA H 31 4.063 4.063 4.425 -0.362 18712 1379 1 3 . 1 1 31 31 ILE CA C 31 57.578 57.578 57.456 0.122 18712 1380 1 3 . 1 1 31 31 ILE CB C 31 40.703 40.703 38.954 1.749 18712 1381 1 3 . 1 1 31 31 ILE H H 31 7.404 7.404 7.889 -0.485 18712 1382 1 3 . 1 1 32 32 PRO HA H 32 4.273 4.273 4.537 -0.264 18712 1383 1 3 . 1 1 32 32 PRO CA C 32 63.554 63.554 62.977 0.577 18712 1384 1 3 . 1 1 32 32 PRO CB C 32 32.266 32.266 32.474 -0.208 18712 1385 1 3 . 1 1 33 33 ASN N N 33 114.027 114.027 114.348 -0.321 18712 1386 1 3 . 1 1 33 33 ASN HA H 33 4.269 4.269 4.348 -0.079 18712 1387 1 3 . 1 1 33 33 ASN CA C 33 55.117 55.117 53.881 1.236 18712 1388 1 3 . 1 1 33 33 ASN CB C 33 37.891 37.891 36.956 0.935 18712 1389 1 3 . 1 1 33 33 ASN H H 33 8.880 8.880 8.627 0.253 18712 1390 1 3 . 1 1 34 34 VAL N N 34 117.111 117.111 120.356 -3.245 18712 1391 1 3 . 1 1 34 34 VAL HA H 34 4.249 4.249 4.225 0.024 18712 1392 1 3 . 1 1 34 34 VAL CA C 34 62.148 62.148 61.786 0.362 18712 1393 1 3 . 1 1 34 34 VAL CB C 34 33.672 33.672 33.068 0.604 18712 1394 1 3 . 1 1 34 34 VAL H H 34 7.328 7.328 7.521 -0.193 18712 1395 1 3 . 1 1 35 35 GLY N N 35 113.600 113.600 111.763 1.837 18712 1396 1 3 . 1 1 35 35 GLY CA C 35 44.219 44.219 44.337 -0.117 18712 1397 1 3 . 1 1 35 35 GLY H H 35 8.653 8.653 8.293 0.360 18712 1398 1 3 . 1 1 36 36 GLU N N 36 118.562 118.562 122.813 -4.251 18712 1399 1 3 . 1 1 36 36 GLU HA H 36 3.888 3.888 3.961 -0.073 18712 1400 1 3 . 1 1 36 36 GLU CA C 36 59.687 59.687 58.946 0.741 18712 1401 1 3 . 1 1 36 36 GLU CB C 36 29.453 29.453 29.354 0.099 18712 1402 1 3 . 1 1 36 36 GLU H H 36 8.457 8.457 8.833 -0.376 18712 1403 1 3 . 1 1 37 37 ASP N N 37 118.140 118.140 119.949 -1.809 18712 1404 1 3 . 1 1 37 37 ASP HA H 37 4.335 4.335 4.499 -0.164 18712 1405 1 3 . 1 1 37 37 ASP CA C 37 56.875 56.875 56.253 0.622 18712 1406 1 3 . 1 1 37 37 ASP CB C 37 40.000 40.000 40.127 -0.127 18712 1407 1 3 . 1 1 37 37 ASP H H 37 8.728 8.728 8.660 0.068 18712 1408 1 3 . 1 1 38 38 ALA N N 38 120.752 120.752 120.601 0.151 18712 1409 1 3 . 1 1 38 38 ALA HA H 38 4.288 4.288 4.205 0.083 18712 1410 1 3 . 1 1 38 38 ALA CA C 38 53.359 53.359 54.216 -0.857 18712 1411 1 3 . 1 1 38 38 ALA CB C 38 18.555 18.555 19.040 -0.485 18712 1412 1 3 . 1 1 38 38 ALA H H 38 7.642 7.642 7.680 -0.038 18712 1413 1 3 . 1 1 39 39 LEU N N 39 117.015 117.015 111.894 5.121 18712 1414 1 3 . 1 1 39 39 LEU HA H 39 4.295 4.295 4.706 -0.411 18712 1415 1 3 . 1 1 39 39 LEU CA C 39 54.765 54.765 53.938 0.827 18712 1416 1 3 . 1 1 39 39 LEU CB C 39 43.164 43.164 41.654 1.510 18712 1417 1 3 . 1 1 39 39 LEU H H 39 7.446 7.446 7.121 0.325 18712 1418 1 3 . 1 1 40 40 ARG N N 40 118.017 118.017 119.097 -1.080 18712 1419 1 3 . 1 1 40 40 ARG HA H 40 4.064 4.064 4.135 -0.071 18712 1420 1 3 . 1 1 40 40 ARG CA C 40 59.687 59.687 58.272 1.415 18712 1421 1 3 . 1 1 40 40 ARG CB C 40 30.508 30.508 30.351 0.157 18712 1422 1 3 . 1 1 40 40 ARG H H 40 7.079 7.079 7.449 -0.370 18712 1423 1 3 . 1 1 41 41 ASN N N 41 115.439 115.439 116.359 -0.920 18712 1424 1 3 . 1 1 41 41 ASN HA H 41 4.996 4.996 4.719 0.277 18712 1425 1 3 . 1 1 41 41 ASN CA C 41 53.359 53.359 52.839 0.520 18712 1426 1 3 . 1 1 41 41 ASN CB C 41 39.297 39.297 39.259 0.038 18712 1427 1 3 . 1 1 41 41 ASN H H 41 9.057 9.057 8.408 0.649 18712 1428 1 3 . 1 1 42 42 LEU N N 42 118.703 118.703 121.571 -2.868 18712 1429 1 3 . 1 1 42 42 LEU HA H 42 4.403 4.403 4.158 0.245 18712 1430 1 3 . 1 1 42 42 LEU CA C 42 54.062 54.062 56.412 -2.350 18712 1431 1 3 . 1 1 42 42 LEU CB C 42 42.812 42.812 42.736 0.076 18712 1432 1 3 . 1 1 42 42 LEU H H 42 7.719 7.719 7.821 -0.102 18712 1433 1 3 . 1 1 43 43 ASP N N 43 122.791 122.791 125.287 -2.496 18712 1434 1 3 . 1 1 43 43 ASP HA H 43 4.481 4.481 4.726 -0.245 18712 1435 1 3 . 1 1 43 43 ASP CA C 43 52.656 52.656 51.926 0.730 18712 1436 1 3 . 1 1 43 43 ASP CB C 43 39.648 39.648 41.513 -1.865 18712 1437 1 3 . 1 1 43 43 ASP H H 43 8.933 8.933 8.195 0.738 18712 1438 1 3 . 1 1 44 44 ASP N N 44 114.917 114.917 118.787 -3.870 18712 1439 1 3 . 1 1 44 44 ASP HA H 44 4.278 4.278 4.410 -0.132 18712 1440 1 3 . 1 1 44 44 ASP CA C 44 56.875 56.875 56.118 0.757 18712 1441 1 3 . 1 1 44 44 ASP CB C 44 40.000 40.000 40.254 -0.254 18712 1442 1 3 . 1 1 44 44 ASP H H 44 8.281 8.281 8.761 -0.480 18712 1443 1 3 . 1 1 45 45 ARG N N 45 118.140 118.140 116.615 1.525 18712 1444 1 3 . 1 1 45 45 ARG HA H 45 4.366 4.366 4.296 0.070 18712 1445 1 3 . 1 1 45 45 ARG CA C 45 55.117 55.117 56.392 -1.276 18712 1446 1 3 . 1 1 45 45 ARG CB C 45 30.859 30.859 30.562 0.297 18712 1447 1 3 . 1 1 45 45 ARG H H 45 8.500 8.500 8.317 0.183 18712 1448 1 3 . 1 1 46 46 GLY N N 46 101.828 101.828 106.986 -5.158 18712 1449 1 3 . 1 1 46 46 GLY CA C 46 45.273 45.273 45.264 0.009 18712 1450 1 3 . 1 1 46 46 GLY H H 46 7.680 7.680 8.026 -0.346 18712 1451 1 3 . 1 1 47 47 VAL N N 47 119.955 119.955 119.053 0.902 18712 1452 1 3 . 1 1 47 47 VAL HA H 47 4.406 4.406 4.421 -0.015 18712 1453 1 3 . 1 1 47 47 VAL CA C 47 61.796 61.796 59.626 2.170 18712 1454 1 3 . 1 1 47 47 VAL CB C 47 33.672 33.672 34.550 -0.878 18712 1455 1 3 . 1 1 47 47 VAL H H 47 8.007 8.007 7.864 0.143 18712 1456 1 3 . 1 1 48 48 ILE N N 48 128.406 128.406 127.071 1.335 18712 1457 1 3 . 1 1 48 48 ILE HA H 48 4.202 4.202 3.998 0.203 18712 1458 1 3 . 1 1 48 48 ILE CA C 48 59.687 59.687 61.079 -1.392 18712 1459 1 3 . 1 1 48 48 ILE CB C 48 38.945 38.945 36.566 2.378 18712 1460 1 3 . 1 1 48 48 ILE H H 48 8.145 8.145 8.234 -0.089 18712 1461 1 3 . 1 1 49 49 ARG N N 49 123.765 123.765 126.486 -2.721 18712 1462 1 3 . 1 1 49 49 ARG HA H 49 4.328 4.328 4.186 0.142 18712 1463 1 3 . 1 1 49 49 ARG CA C 49 56.875 56.875 56.036 0.839 18712 1464 1 3 . 1 1 49 49 ARG CB C 49 31.563 31.563 31.447 0.116 18712 1465 1 3 . 1 1 49 49 ARG H H 49 7.447 7.447 8.274 -0.827 18712 1466 1 3 . 1 1 50 50 ILE N N 50 121.094 121.094 120.641 0.453 18712 1467 1 3 . 1 1 50 50 ILE HA H 50 3.414 3.414 3.746 -0.332 18712 1468 1 3 . 1 1 50 50 ILE CA C 50 64.609 64.609 61.594 3.015 18712 1469 1 3 . 1 1 50 50 ILE H H 50 8.284 8.284 8.172 0.112 18712 1470 1 3 . 1 1 51 51 GLY N N 51 115.791 115.791 113.006 2.785 18712 1471 1 3 . 1 1 51 51 GLY CA C 51 44.922 44.922 45.230 -0.308 18712 1472 1 3 . 1 1 51 51 GLY H H 51 8.679 8.679 8.891 -0.212 18712 1473 1 3 . 1 1 52 52 ALA N N 52 122.065 122.065 122.767 -0.702 18712 1474 1 3 . 1 1 52 52 ALA HA H 52 4.246 4.246 4.540 -0.294 18712 1475 1 3 . 1 1 52 52 ALA CA C 52 52.656 52.656 50.669 1.987 18712 1476 1 3 . 1 1 52 52 ALA CB C 52 18.906 18.906 20.378 -1.472 18712 1477 1 3 . 1 1 52 52 ALA H H 52 7.496 7.496 7.446 0.050 18712 1478 1 3 . 1 1 53 53 GLU N N 53 121.468 121.468 124.085 -2.617 18712 1479 1 3 . 1 1 53 53 GLU HA H 53 4.892 4.892 4.258 0.634 18712 1480 1 3 . 1 1 53 53 GLU CB C 53 30.508 30.508 30.504 0.004 18712 1481 1 3 . 1 1 53 53 GLU H H 53 8.427 8.427 8.581 -0.154 18712 1482 1 3 . 1 1 54 54 VAL N N 54 117.437 117.437 125.007 -7.570 18712 1483 1 3 . 1 1 54 54 VAL HA H 54 4.979 4.979 4.144 0.835 18712 1484 1 3 . 1 1 54 54 VAL CA C 54 58.632 58.632 61.050 -2.418 18712 1485 1 3 . 1 1 54 54 VAL CB C 54 35.781 35.781 32.881 2.900 18712 1486 1 3 . 1 1 54 54 VAL H H 54 9.002 9.002 8.032 0.970 18712 1487 1 3 . 1 1 55 55 LYS N N 55 123.906 123.906 123.028 0.878 18712 1488 1 3 . 1 1 55 55 LYS HA H 55 4.698 4.698 4.532 0.166 18712 1489 1 3 . 1 1 55 55 LYS CA C 55 53.359 53.359 54.696 -1.337 18712 1490 1 3 . 1 1 55 55 LYS CB C 55 35.781 35.781 34.642 1.139 18712 1491 1 3 . 1 1 55 55 LYS H H 55 9.244 9.244 7.868 1.376 18712 1492 1 3 . 1 1 56 56 ASP N N 56 118.562 118.562 121.372 -2.810 18712 1493 1 3 . 1 1 56 56 ASP HA H 56 3.764 3.764 4.395 -0.631 18712 1494 1 3 . 1 1 56 56 ASP CA C 56 56.172 56.172 56.633 -0.461 18712 1495 1 3 . 1 1 56 56 ASP CB C 56 40.000 40.000 40.650 -0.650 18712 1496 1 3 . 1 1 56 56 ASP H H 56 8.176 8.176 8.649 -0.473 18712 1497 1 3 . 1 1 57 57 GLY N N 57 112.515 112.515 113.374 -0.859 18712 1498 1 3 . 1 1 57 57 GLY CA C 57 45.625 45.625 45.333 0.292 18712 1499 1 3 . 1 1 57 57 GLY H H 57 8.841 8.841 8.654 0.187 18712 1500 1 3 . 1 1 58 58 ASP N N 58 121.375 121.375 121.412 -0.037 18712 1501 1 3 . 1 1 58 58 ASP HA H 58 4.532 4.532 4.870 -0.338 18712 1502 1 3 . 1 1 58 58 ASP CA C 58 54.765 54.765 52.527 2.238 18712 1503 1 3 . 1 1 58 58 ASP CB C 58 41.055 41.055 40.731 0.324 18712 1504 1 3 . 1 1 58 58 ASP H H 58 8.209 8.209 7.789 0.420 18712 1505 1 3 . 1 1 59 59 LEU N N 59 119.828 119.828 122.924 -3.096 18712 1506 1 3 . 1 1 59 59 LEU HA H 59 3.976 3.976 4.238 -0.262 18712 1507 1 3 . 1 1 59 59 LEU CA C 59 56.875 56.875 55.310 1.565 18712 1508 1 3 . 1 1 59 59 LEU CB C 59 44.219 44.219 42.481 1.738 18712 1509 1 3 . 1 1 59 59 LEU H H 59 8.570 8.570 8.267 0.303 18712 1510 1 3 . 1 1 60 60 LEU N N 60 116.594 116.594 113.620 2.974 18712 1511 1 3 . 1 1 60 60 LEU HA H 60 4.518 4.518 3.969 0.549 18712 1512 1 3 . 1 1 60 60 LEU CB C 60 44.922 44.922 40.321 4.601 18712 1513 1 3 . 1 1 60 60 LEU H H 60 8.816 8.816 7.473 1.343 18712 1514 1 3 . 1 1 61 61 VAL N N 61 115.656 115.656 116.568 -0.912 18712 1515 1 3 . 1 1 61 61 VAL HA H 61 4.618 4.618 4.258 0.360 18712 1516 1 3 . 1 1 61 61 VAL CA C 61 61.093 61.093 60.943 0.150 18712 1517 1 3 . 1 1 61 61 VAL CB C 61 36.484 36.484 35.907 0.577 18712 1518 1 3 . 1 1 61 61 VAL H H 61 7.322 7.322 7.405 -0.083 18712 1519 1 3 . 1 1 62 62 GLY N N 62 117.191 117.191 114.522 2.669 18712 1520 1 3 . 1 1 62 62 GLY CA C 62 45.625 45.625 44.608 1.017 18712 1521 1 3 . 1 1 62 62 GLY H H 62 9.563 9.563 8.421 1.142 18712 1522 1 3 . 1 1 63 63 LYS N N 63 127.584 127.584 127.329 0.255 18712 1523 1 3 . 1 1 63 63 LYS HA H 63 5.328 5.328 4.809 0.519 18712 1524 1 3 . 1 1 63 63 LYS CA C 63 56.172 56.172 54.976 1.196 18712 1525 1 3 . 1 1 63 63 LYS CB C 63 35.078 35.078 35.264 -0.186 18712 1526 1 3 . 1 1 63 63 LYS H H 63 8.712 8.712 8.305 0.407 18712 1527 1 3 . 1 1 64 64 VAL N N 64 114.383 114.383 123.191 -8.808 18712 1528 1 3 . 1 1 64 64 VAL HA H 64 5.523 5.523 4.990 0.533 18712 1529 1 3 . 1 1 64 64 VAL CA C 64 57.578 57.578 59.702 -2.124 18712 1530 1 3 . 1 1 64 64 VAL CB C 64 35.781 35.781 34.264 1.517 18712 1531 1 3 . 1 1 64 64 VAL H H 64 8.481 8.481 8.050 0.431 18712 1532 1 3 . 1 1 65 65 THR N N 65 118.431 118.431 116.617 1.814 18712 1533 1 3 . 1 1 65 65 THR HA H 65 4.602 4.602 4.891 -0.289 18712 1534 1 3 . 1 1 65 65 THR CA C 65 59.687 59.687 58.865 0.821 18712 1535 1 3 . 1 1 65 65 THR CB C 65 72.343 72.343 69.137 3.206 18712 1536 1 3 . 1 1 65 65 THR H H 65 8.637 8.637 8.527 0.110 18712 1537 1 3 . 1 1 66 66 PRO HA H 66 4.557 4.557 4.448 0.109 18712 1538 1 3 . 1 1 66 66 PRO CA C 66 63.906 63.906 62.856 1.050 18712 1539 1 3 . 1 1 66 66 PRO CB C 66 32.969 32.969 32.632 0.337 18712 1540 1 3 . 1 1 67 67 LYS N N 67 122.359 122.359 120.375 1.984 18712 1541 1 3 . 1 1 67 67 LYS HA H 67 4.391 4.391 4.532 -0.141 18712 1542 1 3 . 1 1 67 67 LYS CA C 67 56.172 56.172 54.818 1.354 18712 1543 1 3 . 1 1 67 67 LYS CB C 67 35.078 35.078 35.807 -0.729 18712 1544 1 3 . 1 1 67 67 LYS H H 67 8.371 8.371 7.847 0.524 18712 1545 1 3 . 1 1 68 68 GLY N N 68 109.563 109.563 107.001 2.562 18712 1546 1 3 . 1 1 68 68 GLY CA C 68 44.922 44.922 44.004 0.918 18712 1547 1 3 . 1 1 68 68 GLY H H 68 8.583 8.583 8.187 0.396 18712 1548 1 3 . 1 1 69 69 VAL N N 69 118.378 118.378 117.904 0.474 18712 1549 1 3 . 1 1 69 69 VAL HA H 69 4.032 4.032 3.850 0.182 18712 1550 1 3 . 1 1 69 69 VAL CA C 69 63.203 63.203 64.443 -1.240 18712 1551 1 3 . 1 1 69 69 VAL CB C 69 32.266 32.266 31.535 0.731 18712 1552 1 3 . 1 1 69 69 VAL H H 69 8.235 8.235 8.409 -0.174 18712 1553 1 3 . 1 1 70 70 THR N N 70 114.484 114.484 114.106 0.378 18712 1554 1 3 . 1 1 70 70 THR HA H 70 4.281 4.281 4.143 0.138 18712 1555 1 3 . 1 1 70 70 THR CA C 70 62.500 62.500 64.751 -2.251 18712 1556 1 3 . 1 1 70 70 THR CB C 70 69.531 69.531 68.579 0.952 18712 1557 1 3 . 1 1 70 70 THR H H 70 8.085 8.085 7.806 0.279 18712 1558 1 3 . 1 1 71 71 GLU N N 71 121.656 121.656 119.579 2.077 18712 1559 1 3 . 1 1 71 71 GLU HA H 71 4.325 4.325 4.238 0.087 18712 1560 1 3 . 1 1 71 71 GLU CA C 71 56.172 56.172 57.488 -1.316 18712 1561 1 3 . 1 1 71 71 GLU CB C 71 30.859 30.859 29.626 1.233 18712 1562 1 3 . 1 1 71 71 GLU H H 71 8.175 8.175 7.743 0.432 18712 1563 1 3 . 1 1 72 72 LEU N N 72 122.219 122.219 118.849 3.370 18712 1564 1 3 . 1 1 72 72 LEU HA H 72 4.534 4.534 4.144 0.390 18712 1565 1 3 . 1 1 72 72 LEU CA C 72 54.765 54.765 55.934 -1.169 18712 1566 1 3 . 1 1 72 72 LEU CB C 72 42.812 42.812 42.455 0.357 18712 1567 1 3 . 1 1 72 72 LEU H H 72 7.770 7.770 7.238 0.532 18712 1568 1 3 . 1 1 73 73 THR N N 73 114.407 114.407 112.674 1.733 18712 1569 1 3 . 1 1 73 73 THR HA H 73 4.405 4.405 4.471 -0.066 18712 1570 1 3 . 1 1 73 73 THR CA C 73 61.093 61.093 59.790 1.303 18712 1571 1 3 . 1 1 73 73 THR CB C 73 70.937 70.937 71.705 -0.768 18712 1572 1 3 . 1 1 73 73 THR H H 73 8.869 8.869 7.787 1.082 18712 1573 1 3 . 1 1 74 74 ALA N N 74 123.782 123.782 124.003 -0.221 18712 1574 1 3 . 1 1 74 74 ALA HA H 74 4.026 4.026 4.095 -0.069 18712 1575 1 3 . 1 1 74 74 ALA CA C 74 55.468 55.468 54.976 0.492 18712 1576 1 3 . 1 1 74 74 ALA CB C 74 18.203 18.203 18.461 -0.258 18712 1577 1 3 . 1 1 74 74 ALA H H 74 8.831 8.831 8.793 0.038 18712 1578 1 3 . 1 1 75 75 GLU N N 75 117.578 117.578 117.518 0.060 18712 1579 1 3 . 1 1 75 75 GLU HA H 75 4.043 4.043 3.984 0.059 18712 1580 1 3 . 1 1 75 75 GLU CA C 75 59.687 59.687 59.114 0.573 18712 1581 1 3 . 1 1 75 75 GLU CB C 75 29.453 29.453 29.374 0.079 18712 1582 1 3 . 1 1 75 75 GLU H H 75 8.637 8.637 8.313 0.324 18712 1583 1 3 . 1 1 76 76 GLU N N 76 120.042 120.042 120.019 0.023 18712 1584 1 3 . 1 1 76 76 GLU HA H 76 4.010 4.010 4.202 -0.192 18712 1585 1 3 . 1 1 76 76 GLU CA C 76 58.281 58.281 58.395 -0.114 18712 1586 1 3 . 1 1 76 76 GLU CB C 76 30.859 30.859 29.253 1.606 18712 1587 1 3 . 1 1 76 76 GLU H H 76 7.847 7.847 7.886 -0.039 18712 1588 1 3 . 1 1 77 77 ARG N N 77 119.687 119.687 119.209 0.478 18712 1589 1 3 . 1 1 77 77 ARG HA H 77 3.975 3.975 4.062 -0.087 18712 1590 1 3 . 1 1 77 77 ARG CA C 77 58.984 58.984 59.183 -0.199 18712 1591 1 3 . 1 1 77 77 ARG CB C 77 30.156 30.156 30.277 -0.121 18712 1592 1 3 . 1 1 77 77 ARG H H 77 8.452 8.452 8.010 0.442 18712 1593 1 3 . 1 1 78 78 LEU N N 78 120.250 120.250 117.407 2.843 18712 1594 1 3 . 1 1 78 78 LEU HA H 78 4.210 4.210 4.321 -0.111 18712 1595 1 3 . 1 1 78 78 LEU CA C 78 56.875 56.875 57.483 -0.608 18712 1596 1 3 . 1 1 78 78 LEU CB C 78 42.109 42.109 41.371 0.738 18712 1597 1 3 . 1 1 78 78 LEU H H 78 7.685 7.685 7.991 -0.306 18712 1598 1 3 . 1 1 79 79 LEU N N 79 119.265 119.265 119.661 -0.396 18712 1599 1 3 . 1 1 79 79 LEU HA H 79 4.208 4.208 4.042 0.166 18712 1600 1 3 . 1 1 79 79 LEU CA C 79 56.875 56.875 57.735 -0.860 18712 1601 1 3 . 1 1 79 79 LEU CB C 79 42.109 42.109 41.529 0.580 18712 1602 1 3 . 1 1 79 79 LEU H H 79 7.679 7.679 7.700 -0.021 18712 1603 1 3 . 1 1 80 80 HIS N N 80 118.348 118.348 119.350 -1.002 18712 1604 1 3 . 1 1 80 80 HIS HA H 80 4.422 4.422 4.240 0.182 18712 1605 1 3 . 1 1 80 80 HIS CA C 80 57.578 57.578 59.725 -2.147 18712 1606 1 3 . 1 1 80 80 HIS CB C 80 30.156 30.156 29.939 0.217 18712 1607 1 3 . 1 1 80 80 HIS H H 80 8.127 8.127 7.665 0.462 18712 1608 1 3 . 1 1 81 81 ALA N N 81 122.359 122.359 121.385 0.974 18712 1609 1 3 . 1 1 81 81 ALA HA H 81 4.204 4.204 3.995 0.209 18712 1610 1 3 . 1 1 81 81 ALA CA C 81 54.062 54.062 54.425 -0.362 18712 1611 1 3 . 1 1 81 81 ALA CB C 81 18.906 18.906 18.127 0.779 18712 1612 1 3 . 1 1 81 81 ALA H H 81 7.908 7.908 7.781 0.127 18712 1613 1 3 . 1 1 82 82 ILE N N 82 117.705 117.705 118.136 -0.431 18712 1614 1 3 . 1 1 82 82 ILE HA H 82 3.972 3.972 3.830 0.142 18712 1615 1 3 . 1 1 82 82 ILE CA C 82 62.500 62.500 62.786 -0.286 18712 1616 1 3 . 1 1 82 82 ILE CB C 82 38.594 38.594 37.188 1.407 18712 1617 1 3 . 1 1 82 82 ILE H H 82 7.780 7.780 7.142 0.638 18712 1618 1 3 . 1 1 83 83 PHE N N 83 120.528 120.528 118.250 2.278 18712 1619 1 3 . 1 1 83 83 PHE HA H 83 4.633 4.633 4.323 0.310 18712 1620 1 3 . 1 1 83 83 PHE CA C 83 58.281 58.281 59.441 -1.160 18712 1621 1 3 . 1 1 83 83 PHE CB C 83 40.000 40.000 39.980 0.020 18712 1622 1 3 . 1 1 83 83 PHE H H 83 8.227 8.227 8.002 0.225 18712 1623 1 3 . 1 1 84 84 GLY N N 84 110.328 110.328 107.387 2.941 18712 1624 1 3 . 1 1 84 84 GLY CA C 84 45.625 45.625 45.454 0.171 18712 1625 1 3 . 1 1 84 84 GLY H H 84 8.157 8.157 7.972 0.185 18712 1626 1 3 . 1 1 85 85 GLU N N 85 120.975 120.975 119.258 1.717 18712 1627 1 3 . 1 1 85 85 GLU HA H 85 4.234 4.234 4.519 -0.285 18712 1628 1 3 . 1 1 85 85 GLU CA C 85 57.226 57.226 55.023 2.203 18712 1629 1 3 . 1 1 85 85 GLU CB C 85 30.156 30.156 32.885 -2.729 18712 1630 1 3 . 1 1 85 85 GLU H H 85 8.374 8.374 7.729 0.645 18712 1631 1 3 . 1 1 86 86 LYS N N 86 121.202 121.202 124.230 -3.028 18712 1632 1 3 . 1 1 86 86 LYS HA H 86 4.291 4.291 4.373 -0.082 18712 1633 1 3 . 1 1 86 86 LYS CA C 86 56.172 56.172 56.891 -0.719 18712 1634 1 3 . 1 1 86 86 LYS CB C 86 32.969 32.969 32.458 0.511 18712 1635 1 3 . 1 1 86 86 LYS H H 86 8.230 8.230 8.565 -0.335 18712 1636 1 3 . 1 1 87 87 ALA N N 87 124.596 124.596 128.113 -3.517 18712 1637 1 3 . 1 1 87 87 ALA HA H 87 4.236 4.236 4.537 -0.301 18712 1638 1 3 . 1 1 87 87 ALA CA C 87 52.656 52.656 51.600 1.056 18712 1639 1 3 . 1 1 87 87 ALA CB C 87 19.610 19.610 20.300 -0.690 18712 1640 1 3 . 1 1 87 87 ALA H H 87 8.179 8.179 8.358 -0.179 18712 1641 1 3 . 1 1 88 88 ARG N N 88 120.688 120.688 123.558 -2.870 18712 1642 1 3 . 1 1 88 88 ARG HA H 88 4.344 4.344 4.404 -0.060 18712 1643 1 3 . 1 1 88 88 ARG CA C 88 56.172 56.172 55.649 0.523 18712 1644 1 3 . 1 1 88 88 ARG CB C 88 30.859 30.859 31.047 -0.188 18712 1645 1 3 . 1 1 88 88 ARG H H 88 8.274 8.274 8.422 -0.148 18712 1646 1 3 . 1 1 89 89 GLU N N 89 124.469 124.469 121.472 2.997 18712 1647 1 3 . 1 1 89 89 GLU HA H 89 4.575 4.575 4.549 0.026 18712 1648 1 3 . 1 1 89 89 GLU CA C 89 55.468 55.468 55.749 -0.281 18712 1649 1 3 . 1 1 89 89 GLU CB C 89 30.156 30.156 31.686 -1.530 18712 1650 1 3 . 1 1 89 89 GLU H H 89 8.632 8.632 8.508 0.124 18712 1651 1 3 . 1 1 90 90 VAL N N 90 114.440 114.440 117.091 -2.651 18712 1652 1 3 . 1 1 90 90 VAL HA H 90 5.047 5.047 4.929 0.118 18712 1653 1 3 . 1 1 90 90 VAL CA C 90 58.984 58.984 58.873 0.111 18712 1654 1 3 . 1 1 90 90 VAL CB C 90 36.484 36.484 34.062 2.422 18712 1655 1 3 . 1 1 90 90 VAL H H 90 8.246 8.246 8.213 0.033 18712 1656 1 3 . 1 1 91 91 ARG N N 91 118.602 118.602 121.466 -2.864 18712 1657 1 3 . 1 1 91 91 ARG HA H 91 4.771 4.771 4.701 0.070 18712 1658 1 3 . 1 1 91 91 ARG CB C 91 33.672 33.672 33.183 0.489 18712 1659 1 3 . 1 1 91 91 ARG H H 91 9.062 9.062 9.056 0.006 18712 1660 1 3 . 1 1 92 92 ASP N N 92 121.656 121.656 124.740 -3.084 18712 1661 1 3 . 1 1 92 92 ASP HA H 92 4.754 4.754 4.754 0.000 18712 1662 1 3 . 1 1 92 92 ASP CB C 92 41.406 41.406 40.782 0.624 18712 1663 1 3 . 1 1 92 92 ASP H H 92 8.770 8.770 8.817 -0.047 18712 1664 1 3 . 1 1 93 93 THR N N 93 124.654 124.654 114.041 10.613 18712 1665 1 3 . 1 1 93 93 THR HA H 93 4.586 4.586 4.421 0.165 18712 1666 1 3 . 1 1 93 93 THR CA C 93 60.390 60.390 61.320 -0.930 18712 1667 1 3 . 1 1 93 93 THR CB C 93 66.718 66.718 70.164 -3.446 18712 1668 1 3 . 1 1 93 93 THR H H 93 9.253 9.253 7.977 1.276 18712 1669 1 3 . 1 1 94 94 SER N N 94 117.437 117.437 118.346 -0.909 18712 1670 1 3 . 1 1 94 94 SER HA H 94 4.455 4.455 4.294 0.161 18712 1671 1 3 . 1 1 94 94 SER CA C 94 60.390 60.390 59.853 0.537 18712 1672 1 3 . 1 1 94 94 SER CB C 94 63.906 63.906 64.006 -0.100 18712 1673 1 3 . 1 1 94 94 SER H H 94 8.564 8.564 7.638 0.926 18712 1674 1 3 . 1 1 95 95 LEU N N 95 125.594 125.594 118.763 6.831 18712 1675 1 3 . 1 1 95 95 LEU HA H 95 4.684 4.684 4.520 0.164 18712 1676 1 3 . 1 1 95 95 LEU CB C 95 43.516 43.516 42.935 0.581 18712 1677 1 3 . 1 1 95 95 LEU H H 95 8.964 8.964 8.438 0.526 18712 1678 1 3 . 1 1 96 96 ARG N N 96 128.669 128.669 121.592 7.077 18712 1679 1 3 . 1 1 96 96 ARG HA H 96 5.061 5.061 4.541 0.520 18712 1680 1 3 . 1 1 96 96 ARG CA C 96 54.062 54.062 55.093 -1.031 18712 1681 1 3 . 1 1 96 96 ARG CB C 96 34.375 34.375 30.516 3.859 18712 1682 1 3 . 1 1 96 96 ARG H H 96 8.709 8.709 8.556 0.153 18712 1683 1 3 . 1 1 97 97 VAL N N 97 121.375 121.375 126.329 -4.954 18712 1684 1 3 . 1 1 97 97 VAL HA H 97 3.386 3.386 4.621 -1.235 18712 1685 1 3 . 1 1 97 97 VAL CA C 97 61.093 61.093 58.724 2.369 18712 1686 1 3 . 1 1 97 97 VAL CB C 97 32.266 32.266 33.954 -1.688 18712 1687 1 3 . 1 1 97 97 VAL H H 97 8.745 8.745 8.444 0.301 18712 1688 1 3 . 1 1 98 98 PRO HA H 98 4.543 4.543 4.494 0.049 18712 1689 1 3 . 1 1 98 98 PRO CA C 98 62.500 62.500 62.412 0.088 18712 1690 1 3 . 1 1 98 98 PRO CB C 98 32.969 32.969 32.413 0.556 18712 1691 1 3 . 1 1 99 99 HIS N N 99 118.140 118.140 117.249 0.891 18712 1692 1 3 . 1 1 99 99 HIS HA H 99 4.272 4.272 4.450 -0.178 18712 1693 1 3 . 1 1 99 99 HIS CA C 99 58.281 58.281 57.070 1.211 18712 1694 1 3 . 1 1 99 99 HIS CB C 99 30.156 30.156 29.743 0.413 18712 1695 1 3 . 1 1 99 99 HIS H H 99 8.368 8.368 8.264 0.104 18712 1696 1 3 . 1 1 100 100 GLY N N 100 116.101 116.101 114.464 1.637 18712 1697 1 3 . 1 1 100 100 GLY CA C 100 45.625 45.625 45.428 0.197 18712 1698 1 3 . 1 1 100 100 GLY H H 100 9.411 9.411 8.963 0.448 18712 1699 1 3 . 1 1 101 101 GLY N N 101 108.798 108.798 109.602 -0.804 18712 1700 1 3 . 1 1 101 101 GLY CA C 101 45.625 45.625 45.662 -0.037 18712 1701 1 3 . 1 1 101 101 GLY H H 101 8.399 8.399 7.861 0.538 18712 1702 1 3 . 1 1 102 102 GLY N N 102 105.967 105.967 109.540 -3.573 18712 1703 1 3 . 1 1 102 102 GLY CA C 102 45.625 45.625 45.540 0.085 18712 1704 1 3 . 1 1 102 102 GLY H H 102 8.310 8.310 8.359 -0.049 18712 1705 1 3 . 1 1 103 103 GLY N N 103 107.574 107.574 107.861 -0.287 18712 1706 1 3 . 1 1 103 103 GLY CA C 103 46.328 46.328 43.738 2.590 18712 1707 1 3 . 1 1 103 103 GLY H H 103 8.075 8.075 7.693 0.382 18712 1708 1 3 . 1 1 104 104 ILE N N 104 122.219 122.219 118.489 3.730 18712 1709 1 3 . 1 1 104 104 ILE HA H 104 5.075 5.075 4.410 0.665 18712 1710 1 3 . 1 1 104 104 ILE CA C 104 58.281 58.281 60.284 -2.003 18712 1711 1 3 . 1 1 104 104 ILE CB C 104 40.703 40.703 42.655 -1.952 18712 1712 1 3 . 1 1 104 104 ILE H H 104 8.269 8.269 7.607 0.662 18712 1713 1 3 . 1 1 105 105 ILE N N 105 124.237 124.237 125.013 -0.776 18712 1714 1 3 . 1 1 105 105 ILE HA H 105 4.312 4.312 4.229 0.083 18712 1715 1 3 . 1 1 105 105 ILE CA C 105 60.390 60.390 61.333 -0.943 18712 1716 1 3 . 1 1 105 105 ILE CB C 105 34.375 34.375 35.156 -0.781 18712 1717 1 3 . 1 1 105 105 ILE H H 105 8.965 8.965 8.446 0.519 18712 1718 1 3 . 1 1 106 106 HIS N N 106 135.053 135.053 128.534 6.519 18712 1719 1 3 . 1 1 106 106 HIS HA H 106 4.506 4.506 4.690 -0.184 18712 1720 1 3 . 1 1 106 106 HIS CA C 106 57.578 57.578 56.479 1.099 18712 1721 1 3 . 1 1 106 106 HIS CB C 106 33.672 33.672 31.999 1.673 18712 1722 1 3 . 1 1 106 106 HIS H H 106 9.604 9.604 8.390 1.214 18712 1723 1 3 . 1 1 107 107 ASP N N 107 112.528 112.528 119.064 -6.536 18712 1724 1 3 . 1 1 107 107 ASP HA H 107 4.707 4.707 4.764 -0.057 18712 1725 1 3 . 1 1 107 107 ASP CB C 107 42.812 42.812 45.322 -2.510 18712 1726 1 3 . 1 1 107 107 ASP H H 107 7.930 7.930 7.792 0.138 18712 1727 1 3 . 1 1 108 108 VAL N N 108 121.656 121.656 119.450 2.206 18712 1728 1 3 . 1 1 108 108 VAL HA H 108 5.028 5.028 4.465 0.563 18712 1729 1 3 . 1 1 108 108 VAL CA C 108 61.796 61.796 61.103 0.693 18712 1730 1 3 . 1 1 108 108 VAL CB C 108 36.484 36.484 35.035 1.448 18712 1731 1 3 . 1 1 108 108 VAL H H 108 8.325 8.325 8.386 -0.061 18712 1732 1 3 . 1 1 109 109 LYS N N 109 126.798 126.798 127.871 -1.073 18712 1733 1 3 . 1 1 109 109 LYS HA H 109 4.676 4.676 4.621 0.055 18712 1734 1 3 . 1 1 109 109 LYS CB C 109 37.187 37.187 34.458 2.729 18712 1735 1 3 . 1 1 109 109 LYS H H 109 9.417 9.417 8.452 0.965 18712 1736 1 3 . 1 1 110 110 VAL N N 110 121.892 121.892 123.643 -1.751 18712 1737 1 3 . 1 1 110 110 VAL HA H 110 4.676 4.676 4.320 0.356 18712 1738 1 3 . 1 1 110 110 VAL CB C 110 33.672 33.672 33.569 0.103 18712 1739 1 3 . 1 1 110 110 VAL H H 110 8.206 8.206 8.223 -0.017 18712 1740 1 3 . 1 1 111 111 PHE N N 111 126.578 126.578 127.756 -1.178 18712 1741 1 3 . 1 1 111 111 PHE HA H 111 4.995 4.995 4.839 0.156 18712 1742 1 3 . 1 1 111 111 PHE CA C 111 56.172 56.172 55.919 0.253 18712 1743 1 3 . 1 1 111 111 PHE CB C 111 42.109 42.109 41.094 1.015 18712 1744 1 3 . 1 1 111 111 PHE H H 111 9.459 9.459 9.054 0.405 18712 1745 1 3 . 1 1 112 112 ASN N N 112 121.797 121.797 118.995 2.802 18712 1746 1 3 . 1 1 112 112 ASN HA H 112 5.425 5.425 5.048 0.377 18712 1747 1 3 . 1 1 112 112 ASN CA C 112 52.656 52.656 52.693 -0.037 18712 1748 1 3 . 1 1 112 112 ASN CB C 112 42.109 42.109 42.222 -0.113 18712 1749 1 3 . 1 1 112 112 ASN H H 112 10.663 10.663 8.703 1.960 18712 1750 1 3 . 1 1 113 113 ARG N N 113 130.516 130.516 125.181 5.335 18712 1751 1 3 . 1 1 113 113 ARG HA H 113 4.435 4.435 4.389 0.046 18712 1752 1 3 . 1 1 113 113 ARG CA C 113 59.687 59.687 59.195 0.492 18712 1753 1 3 . 1 1 113 113 ARG CB C 113 30.859 30.859 30.396 0.463 18712 1754 1 3 . 1 1 113 113 ARG H H 113 9.138 9.138 9.053 0.085 18712 1755 1 3 . 1 1 114 114 GLU N N 114 119.008 119.008 118.183 0.825 18712 1756 1 3 . 1 1 114 114 GLU HA H 114 4.142 4.142 4.140 0.002 18712 1757 1 3 . 1 1 114 114 GLU CA C 114 58.281 58.281 58.747 -0.466 18712 1758 1 3 . 1 1 114 114 GLU CB C 114 29.453 29.453 28.966 0.487 18712 1759 1 3 . 1 1 114 114 GLU H H 114 8.924 8.924 8.086 0.838 18712 1760 1 3 . 1 1 115 115 ASP N N 115 116.593 116.593 117.502 -0.909 18712 1761 1 3 . 1 1 115 115 ASP HA H 115 4.869 4.869 4.586 0.283 18712 1762 1 3 . 1 1 115 115 ASP CA C 115 54.062 54.062 54.424 -0.362 18712 1763 1 3 . 1 1 115 115 ASP CB C 115 42.109 42.109 41.571 0.538 18712 1764 1 3 . 1 1 115 115 ASP H H 115 7.356 7.356 7.921 -0.565 18712 1765 1 3 . 1 1 116 116 GLY N N 116 106.689 106.689 107.691 -1.002 18712 1766 1 3 . 1 1 116 116 GLY CA C 116 44.922 44.922 44.633 0.289 18712 1767 1 3 . 1 1 116 116 GLY H H 116 7.918 7.918 7.608 0.310 18712 1768 1 3 . 1 1 117 117 ASP N N 117 119.329 119.329 120.523 -1.194 18712 1769 1 3 . 1 1 117 117 ASP HA H 117 4.632 4.632 4.644 -0.012 18712 1770 1 3 . 1 1 117 117 ASP CA C 117 55.468 55.468 53.224 2.244 18712 1771 1 3 . 1 1 117 117 ASP CB C 117 41.406 41.406 42.009 -0.603 18712 1772 1 3 . 1 1 117 117 ASP H H 117 7.220 7.220 7.803 -0.583 18712 1773 1 3 . 1 1 118 118 GLU N N 118 123.484 123.484 123.171 0.313 18712 1774 1 3 . 1 1 118 118 GLU HA H 118 4.240 4.240 4.478 -0.238 18712 1775 1 3 . 1 1 118 118 GLU CA C 118 56.875 56.875 56.241 0.634 18712 1776 1 3 . 1 1 118 118 GLU CB C 118 29.453 29.453 30.610 -1.157 18712 1777 1 3 . 1 1 118 118 GLU H H 118 8.626 8.626 8.557 0.069 18712 1778 1 3 . 1 1 119 119 LEU N N 119 129.139 129.139 126.818 2.321 18712 1779 1 3 . 1 1 119 119 LEU HA H 119 4.759 4.759 4.723 0.036 18712 1780 1 3 . 1 1 119 119 LEU CB C 119 44.219 44.219 44.062 0.157 18712 1781 1 3 . 1 1 119 119 LEU H H 119 8.106 8.106 8.301 -0.195 18712 1782 1 3 . 1 1 120 120 PRO CB C 120 31.914 31.914 30.933 0.981 18712 1783 1 3 . 1 1 121 121 PRO HA H 121 4.269 4.269 4.359 -0.090 18712 1784 1 3 . 1 1 121 121 PRO CA C 121 63.906 63.906 63.697 0.209 18712 1785 1 3 . 1 1 121 121 PRO CB C 121 31.563 31.563 31.509 0.054 18712 1786 1 3 . 1 1 122 122 GLY N N 122 112.656 112.656 111.268 1.388 18712 1787 1 3 . 1 1 122 122 GLY CA C 122 45.625 45.625 44.973 0.652 18712 1788 1 3 . 1 1 122 122 GLY H H 122 8.827 8.827 8.685 0.142 18712 1789 1 3 . 1 1 123 123 VAL N N 123 119.406 119.406 119.345 0.061 18712 1790 1 3 . 1 1 123 123 VAL HA H 123 4.017 4.017 4.616 -0.599 18712 1791 1 3 . 1 1 123 123 VAL CA C 123 62.851 62.851 61.529 1.322 18712 1792 1 3 . 1 1 123 123 VAL CB C 123 32.266 32.266 33.081 -0.815 18712 1793 1 3 . 1 1 123 123 VAL H H 123 7.845 7.845 7.419 0.426 18712 1794 1 3 . 1 1 124 124 ASN N N 124 124.609 124.609 121.388 3.221 18712 1795 1 3 . 1 1 124 124 ASN HA H 124 4.877 4.877 4.842 0.035 18712 1796 1 3 . 1 1 124 124 ASN CA C 124 54.765 54.765 53.477 1.288 18712 1797 1 3 . 1 1 124 124 ASN CB C 124 40.000 40.000 41.108 -1.108 18712 1798 1 3 . 1 1 124 124 ASN H H 124 9.206 9.206 8.723 0.483 18712 1799 1 3 . 1 1 125 125 GLN N N 125 117.959 117.959 114.972 2.987 18712 1800 1 3 . 1 1 125 125 GLN HA H 125 5.234 5.234 4.623 0.611 18712 1801 1 3 . 1 1 125 125 GLN CA C 125 56.172 56.172 55.236 0.936 18712 1802 1 3 . 1 1 125 125 GLN CB C 125 33.672 33.672 33.236 0.436 18712 1803 1 3 . 1 1 125 125 GLN H H 125 7.756 7.756 7.668 0.088 18712 1804 1 3 . 1 1 126 126 LEU N N 126 125.559 125.559 122.336 3.223 18712 1805 1 3 . 1 1 126 126 LEU HA H 126 5.261 5.261 4.824 0.437 18712 1806 1 3 . 1 1 126 126 LEU CA C 126 54.765 54.765 54.839 -0.074 18712 1807 1 3 . 1 1 126 126 LEU CB C 126 47.734 47.734 46.093 1.641 18712 1808 1 3 . 1 1 126 126 LEU H H 126 8.866 8.866 8.333 0.533 18712 1809 1 3 . 1 1 127 127 VAL N N 127 126.578 126.578 126.457 0.121 18712 1810 1 3 . 1 1 127 127 VAL HA H 127 5.127 5.127 4.730 0.397 18712 1811 1 3 . 1 1 127 127 VAL CA C 127 60.390 60.390 60.017 0.372 18712 1812 1 3 . 1 1 127 127 VAL CB C 127 35.078 35.078 35.424 -0.346 18712 1813 1 3 . 1 1 127 127 VAL H H 127 9.367 9.367 8.728 0.639 18712 1814 1 3 . 1 1 128 128 ARG N N 128 126.578 126.578 126.596 -0.018 18712 1815 1 3 . 1 1 128 128 ARG HA H 128 5.259 5.259 5.122 0.137 18712 1816 1 3 . 1 1 128 128 ARG CA C 128 54.765 54.765 53.916 0.849 18712 1817 1 3 . 1 1 128 128 ARG CB C 128 33.672 33.672 34.274 -0.602 18712 1818 1 3 . 1 1 128 128 ARG H H 128 9.502 9.502 8.849 0.653 18712 1819 1 3 . 1 1 129 129 VAL N N 129 123.977 123.977 119.192 4.785 18712 1820 1 3 . 1 1 129 129 VAL HA H 129 4.489 4.489 4.456 0.033 18712 1821 1 3 . 1 1 129 129 VAL CA C 129 61.093 61.093 60.920 0.173 18712 1822 1 3 . 1 1 129 129 VAL CB C 129 35.078 35.078 34.410 0.668 18712 1823 1 3 . 1 1 129 129 VAL H H 129 9.051 9.051 8.216 0.835 18712 1824 1 3 . 1 1 130 130 TYR N N 130 124.673 124.673 122.777 1.896 18712 1825 1 3 . 1 1 130 130 TYR HA H 130 5.419 5.419 5.081 0.338 18712 1826 1 3 . 1 1 130 130 TYR CA C 130 56.172 56.172 56.507 -0.335 18712 1827 1 3 . 1 1 130 130 TYR CB C 130 39.297 39.297 40.128 -0.831 18712 1828 1 3 . 1 1 130 130 TYR H H 130 8.650 8.650 8.565 0.085 18712 1829 1 3 . 1 1 131 131 ILE N N 131 125.227 125.227 124.423 0.804 18712 1830 1 3 . 1 1 131 131 ILE HA H 131 4.869 4.869 4.659 0.210 18712 1831 1 3 . 1 1 131 131 ILE CB C 131 40.000 40.000 41.466 -1.466 18712 1832 1 3 . 1 1 131 131 ILE H H 131 9.509 9.509 8.966 0.543 18712 1833 1 3 . 1 1 132 132 VAL N N 132 126.859 126.859 124.173 2.686 18712 1834 1 3 . 1 1 132 132 VAL HA H 132 4.729 4.729 5.235 -0.506 18712 1835 1 3 . 1 1 132 132 VAL CA C 132 61.093 61.093 58.781 2.312 18712 1836 1 3 . 1 1 132 132 VAL CB C 132 33.672 33.672 33.289 0.383 18712 1837 1 3 . 1 1 132 132 VAL H H 132 9.606 9.606 7.986 1.620 18712 1838 1 3 . 1 1 133 133 GLN N N 133 128.406 128.406 125.804 2.602 18712 1839 1 3 . 1 1 133 133 GLN HA H 133 4.751 4.751 4.670 0.081 18712 1840 1 3 . 1 1 133 133 GLN CA C 133 54.765 54.765 54.535 0.230 18712 1841 1 3 . 1 1 133 133 GLN CB C 133 31.563 31.563 29.099 2.465 18712 1842 1 3 . 1 1 133 133 GLN H H 133 9.153 9.153 8.301 0.852 18712 1843 1 3 . 1 1 134 134 LYS N N 134 122.929 122.929 124.131 -1.202 18712 1844 1 3 . 1 1 134 134 LYS HA H 134 4.725 4.725 4.631 0.094 18712 1845 1 3 . 1 1 134 134 LYS CA C 134 56.172 56.172 55.496 0.676 18712 1846 1 3 . 1 1 134 134 LYS CB C 134 33.320 33.320 34.429 -1.109 18712 1847 1 3 . 1 1 134 134 LYS H H 134 8.561 8.561 8.470 0.091 18712 1848 1 3 . 1 1 135 135 ARG N N 135 123.484 123.484 120.941 2.543 18712 1849 1 3 . 1 1 135 135 ARG HA H 135 4.503 4.503 4.529 -0.026 18712 1850 1 3 . 1 1 135 135 ARG CA C 135 55.468 55.468 55.174 0.294 18712 1851 1 3 . 1 1 135 135 ARG CB C 135 32.266 32.266 31.734 0.532 18712 1852 1 3 . 1 1 135 135 ARG H H 135 8.596 8.596 8.371 0.225 18712 1853 1 3 . 1 1 136 136 LYS N N 136 123.906 123.906 122.193 1.713 18712 1854 1 3 . 1 1 136 136 LYS HA H 136 4.467 4.467 4.462 0.005 18712 1855 1 3 . 1 1 136 136 LYS CA C 136 56.172 56.172 55.483 0.689 18712 1856 1 3 . 1 1 136 136 LYS CB C 136 32.969 32.969 33.529 -0.560 18712 1857 1 3 . 1 1 136 136 LYS H H 136 8.608 8.608 8.372 0.236 18712 1858 1 3 . 1 1 137 137 ILE N N 137 123.571 123.571 118.966 4.605 18712 1859 1 3 . 1 1 137 137 ILE HA H 137 4.184 4.184 3.751 0.433 18712 1860 1 3 . 1 1 137 137 ILE CA C 137 61.093 61.093 61.376 -0.283 18712 1861 1 3 . 1 1 137 137 ILE CB C 137 38.594 38.594 38.288 0.306 18712 1862 1 3 . 1 1 137 137 ILE H H 137 8.353 8.353 7.996 0.357 18712 1863 1 3 . 1 1 138 138 SER N N 138 119.547 119.547 118.032 1.515 18712 1864 1 3 . 1 1 138 138 SER HA H 138 4.503 4.503 4.286 0.217 18712 1865 1 3 . 1 1 138 138 SER CA C 138 58.281 58.281 58.996 -0.715 18712 1866 1 3 . 1 1 138 138 SER CB C 138 63.906 63.906 63.471 0.435 18712 1867 1 3 . 1 1 138 138 SER H H 138 8.410 8.410 8.090 0.320 18712 1868 1 3 . 1 1 139 139 GLU N N 139 123.281 123.281 129.061 -5.780 18712 1869 1 3 . 1 1 139 139 GLU HA H 139 4.307 4.307 4.440 -0.133 18712 1870 1 3 . 1 1 139 139 GLU CA C 139 56.875 56.875 55.997 0.878 18712 1871 1 3 . 1 1 139 139 GLU CB C 139 30.156 30.156 29.129 1.027 18712 1872 1 3 . 1 1 139 139 GLU H H 139 8.489 8.489 8.866 -0.377 18712 1873 1 3 . 1 1 140 140 GLY N N 140 109.792 109.792 109.803 -0.011 18712 1874 1 3 . 1 1 140 140 GLY CA C 140 45.625 45.625 45.125 0.500 18712 1875 1 3 . 1 1 140 140 GLY H H 140 8.418 8.418 8.419 -0.001 18712 1876 1 4 . 1 1 4 4 VAL N N 4 119.125 119.125 122.367 -3.242 18712 1877 1 4 . 1 1 4 4 VAL HA H 4 4.070 4.070 4.234 -0.164 18712 1878 1 4 . 1 1 4 4 VAL CA C 4 62.500 62.500 61.314 1.186 18712 1879 1 4 . 1 1 4 4 VAL CB C 4 32.969 32.969 32.902 0.067 18712 1880 1 4 . 1 1 4 4 VAL H H 4 7.998 7.998 8.224 -0.226 18712 1881 1 4 . 1 1 5 5 TYR N N 5 122.640 122.640 121.998 0.642 18712 1882 1 4 . 1 1 5 5 TYR HA H 5 4.674 4.674 4.908 -0.234 18712 1883 1 4 . 1 1 5 5 TYR CA C 5 58.281 58.281 55.287 2.994 18712 1884 1 4 . 1 1 5 5 TYR CB C 5 38.594 38.594 39.845 -1.251 18712 1885 1 4 . 1 1 5 5 TYR H H 5 8.305 8.305 7.449 0.856 18712 1886 1 4 . 1 1 6 6 THR N N 6 114.861 114.861 117.112 -2.251 18712 1887 1 4 . 1 1 6 6 THR HA H 6 4.548 4.548 4.286 0.262 18712 1888 1 4 . 1 1 6 6 THR CA C 6 61.796 61.796 62.645 -0.849 18712 1889 1 4 . 1 1 6 6 THR CB C 6 70.234 70.234 69.786 0.448 18712 1890 1 4 . 1 1 6 6 THR H H 6 8.003 8.003 8.756 -0.753 18712 1891 1 4 . 1 1 7 7 SER N N 7 118.140 118.140 117.940 0.200 18712 1892 1 4 . 1 1 7 7 SER HA H 7 4.600 4.600 4.553 0.047 18712 1893 1 4 . 1 1 7 7 SER CA C 7 57.578 57.578 57.929 -0.351 18712 1894 1 4 . 1 1 7 7 SER CB C 7 64.609 64.609 63.939 0.670 18712 1895 1 4 . 1 1 7 7 SER H H 7 8.487 8.487 8.095 0.392 18712 1896 1 4 . 1 1 8 8 ILE N N 8 121.375 121.375 120.535 0.840 18712 1897 1 4 . 1 1 8 8 ILE HA H 8 4.627 4.627 4.413 0.214 18712 1898 1 4 . 1 1 8 8 ILE CA C 8 60.390 60.390 60.966 -0.576 18712 1899 1 4 . 1 1 8 8 ILE CB C 8 40.000 40.000 38.788 1.212 18712 1900 1 4 . 1 1 8 8 ILE H H 8 8.139 8.139 8.373 -0.234 18712 1901 1 4 . 1 1 9 9 HIS N N 9 125.734 125.734 126.399 -0.665 18712 1902 1 4 . 1 1 9 9 HIS HA H 9 4.768 4.768 4.848 -0.080 18712 1903 1 4 . 1 1 9 9 HIS CB C 9 32.617 32.617 33.301 -0.684 18712 1904 1 4 . 1 1 9 9 HIS H H 9 8.743 8.743 8.651 0.092 18712 1905 1 4 . 1 1 10 10 ILE N N 10 125.875 125.875 122.121 3.754 18712 1906 1 4 . 1 1 10 10 ILE HA H 10 4.806 4.806 4.577 0.229 18712 1907 1 4 . 1 1 10 10 ILE CB C 10 39.297 39.297 38.882 0.415 18712 1908 1 4 . 1 1 10 10 ILE H H 10 8.035 8.035 8.634 -0.599 18712 1909 1 4 . 1 1 11 11 GLU N N 11 129.438 129.438 128.782 0.656 18712 1910 1 4 . 1 1 11 11 GLU HA H 11 4.472 4.472 4.496 -0.024 18712 1911 1 4 . 1 1 11 11 GLU CA C 11 54.062 54.062 55.670 -1.608 18712 1912 1 4 . 1 1 11 11 GLU CB C 11 32.617 32.617 31.488 1.129 18712 1913 1 4 . 1 1 11 11 GLU H H 11 8.934 8.934 8.971 -0.037 18712 1914 1 4 . 1 1 12 12 GLU N N 12 123.983 123.983 121.352 2.631 18712 1915 1 4 . 1 1 12 12 GLU HA H 12 4.752 4.752 4.660 0.092 18712 1916 1 4 . 1 1 12 12 GLU CA C 12 54.062 54.062 55.422 -1.360 18712 1917 1 4 . 1 1 12 12 GLU CB C 12 32.617 32.617 31.274 1.343 18712 1918 1 4 . 1 1 12 12 GLU H H 12 8.192 8.192 8.490 -0.298 18712 1919 1 4 . 1 1 13 13 TYR N N 13 122.826 122.826 124.860 -2.034 18712 1920 1 4 . 1 1 13 13 TYR HA H 13 4.741 4.741 4.732 0.009 18712 1921 1 4 . 1 1 13 13 TYR CB C 13 42.812 42.812 41.082 1.730 18712 1922 1 4 . 1 1 13 13 TYR H H 13 8.926 8.926 8.383 0.543 18712 1923 1 4 . 1 1 14 14 GLU N N 14 119.329 119.329 122.643 -3.314 18712 1924 1 4 . 1 1 14 14 GLU HA H 14 5.647 5.647 4.642 1.005 18712 1925 1 4 . 1 1 14 14 GLU CA C 14 54.765 54.765 55.158 -0.393 18712 1926 1 4 . 1 1 14 14 GLU CB C 14 34.375 34.375 32.637 1.738 18712 1927 1 4 . 1 1 14 14 GLU H H 14 8.716 8.716 8.633 0.083 18712 1928 1 4 . 1 1 15 15 SER N N 15 116.172 116.172 119.583 -3.411 18712 1929 1 4 . 1 1 15 15 SER HA H 15 4.616 4.616 4.844 -0.228 18712 1930 1 4 . 1 1 15 15 SER CA C 15 57.578 57.578 57.794 -0.216 18712 1931 1 4 . 1 1 15 15 SER CB C 15 66.015 66.015 64.879 1.136 18712 1932 1 4 . 1 1 15 15 SER H H 15 8.922 8.922 8.404 0.518 18712 1933 1 4 . 1 1 16 16 GLU N N 16 125.172 125.172 123.706 1.466 18712 1934 1 4 . 1 1 16 16 GLU HA H 16 5.082 5.082 4.856 0.226 18712 1935 1 4 . 1 1 16 16 GLU CA C 16 54.062 54.062 54.200 -0.138 18712 1936 1 4 . 1 1 16 16 GLU CB C 16 32.969 32.969 33.029 -0.060 18712 1937 1 4 . 1 1 16 16 GLU H H 16 8.587 8.587 8.355 0.232 18712 1938 1 4 . 1 1 17 17 ALA N N 17 124.890 124.890 127.343 -2.453 18712 1939 1 4 . 1 1 17 17 ALA HA H 17 4.969 4.969 4.358 0.611 18712 1940 1 4 . 1 1 17 17 ALA CA C 17 50.547 50.547 51.853 -1.306 18712 1941 1 4 . 1 1 17 17 ALA CB C 17 19.610 19.610 19.190 0.420 18712 1942 1 4 . 1 1 17 17 ALA H H 17 9.000 9.000 8.345 0.655 18712 1943 1 4 . 1 1 18 18 ARG N N 18 125.376 125.376 126.062 -0.686 18712 1944 1 4 . 1 1 18 18 ARG HA H 18 5.175 5.175 4.926 0.249 18712 1945 1 4 . 1 1 18 18 ARG CA C 18 54.765 54.765 54.670 0.095 18712 1946 1 4 . 1 1 18 18 ARG CB C 18 34.375 34.375 30.742 3.633 18712 1947 1 4 . 1 1 18 18 ARG H H 18 9.624 9.624 7.994 1.630 18712 1948 1 4 . 1 1 19 19 ASP N N 19 119.828 119.828 124.692 -4.864 18712 1949 1 4 . 1 1 19 19 ASP HA H 19 4.685 4.685 4.406 0.279 18712 1950 1 4 . 1 1 19 19 ASP CA C 19 55.117 55.117 54.236 0.881 18712 1951 1 4 . 1 1 19 19 ASP CB C 19 41.406 41.406 41.066 0.340 18712 1952 1 4 . 1 1 19 19 ASP H H 19 8.420 8.420 8.480 -0.060 18712 1953 1 4 . 1 1 20 20 THR N N 20 112.948 112.948 114.306 -1.358 18712 1954 1 4 . 1 1 20 20 THR HA H 20 4.979 4.979 4.379 0.600 18712 1955 1 4 . 1 1 20 20 THR CA C 20 60.390 60.390 61.251 -0.861 18712 1956 1 4 . 1 1 20 20 THR CB C 20 73.046 73.046 70.028 3.018 18712 1957 1 4 . 1 1 20 20 THR H H 20 7.602 7.602 8.096 -0.494 18712 1958 1 4 . 1 1 21 21 LYS HA H 21 4.146 4.146 4.335 -0.189 18712 1959 1 4 . 1 1 21 21 LYS CA C 21 58.984 58.984 58.067 0.917 18712 1960 1 4 . 1 1 21 21 LYS CB C 21 32.266 32.266 31.671 0.595 18712 1961 1 4 . 1 1 22 22 LEU N N 22 117.346 117.346 120.290 -2.944 18712 1962 1 4 . 1 1 22 22 LEU HA H 22 4.532 4.532 4.494 0.038 18712 1963 1 4 . 1 1 22 22 LEU CA C 22 54.062 54.062 54.571 -0.509 18712 1964 1 4 . 1 1 22 22 LEU CB C 22 42.812 42.812 41.726 1.086 18712 1965 1 4 . 1 1 22 22 LEU H H 22 7.848 7.848 7.421 0.427 18712 1966 1 4 . 1 1 23 23 GLY N N 23 108.437 108.437 109.569 -1.132 18712 1967 1 4 . 1 1 23 23 GLY CA C 23 43.516 43.516 44.408 -0.892 18712 1968 1 4 . 1 1 23 23 GLY H H 23 7.407 7.407 7.395 0.012 18712 1969 1 4 . 1 1 24 24 PRO HA H 24 4.894 4.894 4.584 0.310 18712 1970 1 4 . 1 1 24 24 PRO CA C 24 63.906 63.906 62.389 1.517 18712 1971 1 4 . 1 1 24 24 PRO CB C 24 31.563 31.563 33.306 -1.742 18712 1972 1 4 . 1 1 25 25 GLU N N 25 118.281 118.281 118.214 0.067 18712 1973 1 4 . 1 1 25 25 GLU HA H 25 4.621 4.621 4.371 0.250 18712 1974 1 4 . 1 1 25 25 GLU CA C 25 56.523 56.523 56.719 -0.196 18712 1975 1 4 . 1 1 25 25 GLU CB C 25 32.266 32.266 31.187 1.079 18712 1976 1 4 . 1 1 25 25 GLU H H 25 8.341 8.341 8.939 -0.598 18712 1977 1 4 . 1 1 26 26 GLU N N 26 119.406 119.406 119.214 0.192 18712 1978 1 4 . 1 1 26 26 GLU HA H 26 4.710 4.710 4.511 0.199 18712 1979 1 4 . 1 1 26 26 GLU CA C 26 54.765 54.765 55.781 -1.016 18712 1980 1 4 . 1 1 26 26 GLU CB C 26 33.672 33.672 30.855 2.817 18712 1981 1 4 . 1 1 26 26 GLU H H 26 8.336 8.336 7.780 0.556 18712 1982 1 4 . 1 1 27 27 ILE N N 27 127.472 127.472 122.079 5.393 18712 1983 1 4 . 1 1 27 27 ILE HA H 27 5.009 5.009 4.199 0.810 18712 1984 1 4 . 1 1 27 27 ILE CA C 27 60.390 60.390 61.685 -1.295 18712 1985 1 4 . 1 1 27 27 ILE CB C 27 37.187 37.187 38.753 -1.566 18712 1986 1 4 . 1 1 27 27 ILE H H 27 8.405 8.405 8.505 -0.100 18712 1987 1 4 . 1 1 28 28 THR N N 28 124.387 124.387 121.588 2.799 18712 1988 1 4 . 1 1 28 28 THR HA H 28 4.492 4.492 4.653 -0.161 18712 1989 1 4 . 1 1 28 28 THR CA C 28 59.687 59.687 60.304 -0.617 18712 1990 1 4 . 1 1 28 28 THR CB C 28 68.125 68.125 71.071 -2.946 18712 1991 1 4 . 1 1 28 28 THR H H 28 8.191 8.191 8.503 -0.312 18712 1992 1 4 . 1 1 29 29 ARG N N 29 120.568 120.568 121.105 -0.537 18712 1993 1 4 . 1 1 29 29 ARG HA H 29 4.202 4.202 4.650 -0.448 18712 1994 1 4 . 1 1 29 29 ARG CA C 29 55.468 55.468 55.224 0.244 18712 1995 1 4 . 1 1 29 29 ARG CB C 29 32.266 32.266 31.768 0.498 18712 1996 1 4 . 1 1 29 29 ARG H H 29 7.995 7.995 8.384 -0.389 18712 1997 1 4 . 1 1 30 30 ASP N N 30 123.906 123.906 123.489 0.417 18712 1998 1 4 . 1 1 30 30 ASP HA H 30 4.619 4.619 4.724 -0.105 18712 1999 1 4 . 1 1 30 30 ASP CA C 30 53.359 53.359 53.837 -0.478 18712 2000 1 4 . 1 1 30 30 ASP CB C 30 38.594 38.594 42.453 -3.859 18712 2001 1 4 . 1 1 30 30 ASP H H 30 8.784 8.784 8.709 0.075 18712 2002 1 4 . 1 1 31 31 ILE N N 31 123.422 123.422 123.310 0.112 18712 2003 1 4 . 1 1 31 31 ILE HA H 31 4.063 4.063 4.528 -0.465 18712 2004 1 4 . 1 1 31 31 ILE CA C 31 57.578 57.578 56.674 0.904 18712 2005 1 4 . 1 1 31 31 ILE CB C 31 40.703 40.703 36.680 4.023 18712 2006 1 4 . 1 1 31 31 ILE H H 31 7.404 7.404 8.064 -0.660 18712 2007 1 4 . 1 1 32 32 PRO HA H 32 4.273 4.273 4.523 -0.250 18712 2008 1 4 . 1 1 32 32 PRO CA C 32 63.554 63.554 63.014 0.540 18712 2009 1 4 . 1 1 32 32 PRO CB C 32 32.266 32.266 32.488 -0.222 18712 2010 1 4 . 1 1 33 33 ASN N N 33 114.027 114.027 115.047 -1.020 18712 2011 1 4 . 1 1 33 33 ASN HA H 33 4.269 4.269 4.344 -0.075 18712 2012 1 4 . 1 1 33 33 ASN CA C 33 55.117 55.117 53.900 1.217 18712 2013 1 4 . 1 1 33 33 ASN CB C 33 37.891 37.891 37.085 0.806 18712 2014 1 4 . 1 1 33 33 ASN H H 33 8.880 8.880 8.636 0.244 18712 2015 1 4 . 1 1 34 34 VAL N N 34 117.111 117.111 119.894 -2.783 18712 2016 1 4 . 1 1 34 34 VAL HA H 34 4.249 4.249 4.244 0.005 18712 2017 1 4 . 1 1 34 34 VAL CA C 34 62.148 62.148 61.429 0.719 18712 2018 1 4 . 1 1 34 34 VAL CB C 34 33.672 33.672 33.167 0.505 18712 2019 1 4 . 1 1 34 34 VAL H H 34 7.328 7.328 7.540 -0.212 18712 2020 1 4 . 1 1 35 35 GLY N N 35 113.600 113.600 111.086 2.514 18712 2021 1 4 . 1 1 35 35 GLY CA C 35 44.219 44.219 44.160 0.059 18712 2022 1 4 . 1 1 35 35 GLY H H 35 8.653 8.653 8.297 0.356 18712 2023 1 4 . 1 1 36 36 GLU N N 36 118.562 118.562 119.858 -1.296 18712 2024 1 4 . 1 1 36 36 GLU HA H 36 3.888 3.888 4.163 -0.275 18712 2025 1 4 . 1 1 36 36 GLU CA C 36 59.687 59.687 58.947 0.740 18712 2026 1 4 . 1 1 36 36 GLU CB C 36 29.453 29.453 29.635 -0.182 18712 2027 1 4 . 1 1 36 36 GLU H H 36 8.457 8.457 8.732 -0.275 18712 2028 1 4 . 1 1 37 37 ASP N N 37 118.140 118.140 116.957 1.183 18712 2029 1 4 . 1 1 37 37 ASP HA H 37 4.335 4.335 4.474 -0.139 18712 2030 1 4 . 1 1 37 37 ASP CA C 37 56.875 56.875 55.868 1.007 18712 2031 1 4 . 1 1 37 37 ASP CB C 37 40.000 40.000 40.732 -0.732 18712 2032 1 4 . 1 1 37 37 ASP H H 37 8.728 8.728 8.275 0.453 18712 2033 1 4 . 1 1 38 38 ALA N N 38 120.752 120.752 121.455 -0.703 18712 2034 1 4 . 1 1 38 38 ALA HA H 38 4.288 4.288 4.188 0.100 18712 2035 1 4 . 1 1 38 38 ALA CA C 38 53.359 53.359 54.262 -0.903 18712 2036 1 4 . 1 1 38 38 ALA CB C 38 18.555 18.555 18.792 -0.237 18712 2037 1 4 . 1 1 38 38 ALA H H 38 7.642 7.642 8.214 -0.572 18712 2038 1 4 . 1 1 39 39 LEU N N 39 117.015 117.015 112.338 4.677 18712 2039 1 4 . 1 1 39 39 LEU HA H 39 4.295 4.295 4.702 -0.407 18712 2040 1 4 . 1 1 39 39 LEU CA C 39 54.765 54.765 54.194 0.571 18712 2041 1 4 . 1 1 39 39 LEU CB C 39 43.164 43.164 41.259 1.905 18712 2042 1 4 . 1 1 39 39 LEU H H 39 7.446 7.446 7.225 0.221 18712 2043 1 4 . 1 1 40 40 ARG N N 40 118.017 118.017 119.089 -1.072 18712 2044 1 4 . 1 1 40 40 ARG HA H 40 4.064 4.064 4.140 -0.076 18712 2045 1 4 . 1 1 40 40 ARG CA C 40 59.687 59.687 58.167 1.520 18712 2046 1 4 . 1 1 40 40 ARG CB C 40 30.508 30.508 30.503 0.004 18712 2047 1 4 . 1 1 40 40 ARG H H 40 7.079 7.079 7.522 -0.443 18712 2048 1 4 . 1 1 41 41 ASN N N 41 115.439 115.439 115.849 -0.410 18712 2049 1 4 . 1 1 41 41 ASN HA H 41 4.996 4.996 4.704 0.292 18712 2050 1 4 . 1 1 41 41 ASN CA C 41 53.359 53.359 53.277 0.082 18712 2051 1 4 . 1 1 41 41 ASN CB C 41 39.297 39.297 38.916 0.381 18712 2052 1 4 . 1 1 41 41 ASN H H 41 9.057 9.057 8.155 0.902 18712 2053 1 4 . 1 1 42 42 LEU N N 42 118.703 118.703 121.460 -2.757 18712 2054 1 4 . 1 1 42 42 LEU HA H 42 4.403 4.403 4.108 0.295 18712 2055 1 4 . 1 1 42 42 LEU CA C 42 54.062 54.062 56.608 -2.546 18712 2056 1 4 . 1 1 42 42 LEU CB C 42 42.812 42.812 42.486 0.326 18712 2057 1 4 . 1 1 42 42 LEU H H 42 7.719 7.719 7.954 -0.235 18712 2058 1 4 . 1 1 43 43 ASP N N 43 122.791 122.791 124.685 -1.894 18712 2059 1 4 . 1 1 43 43 ASP HA H 43 4.481 4.481 4.851 -0.370 18712 2060 1 4 . 1 1 43 43 ASP CA C 43 52.656 52.656 53.029 -0.373 18712 2061 1 4 . 1 1 43 43 ASP CB C 43 39.648 39.648 42.400 -2.752 18712 2062 1 4 . 1 1 43 43 ASP H H 43 8.933 8.933 7.930 1.003 18712 2063 1 4 . 1 1 44 44 ASP N N 44 114.917 114.917 119.953 -5.036 18712 2064 1 4 . 1 1 44 44 ASP HA H 44 4.278 4.278 4.450 -0.172 18712 2065 1 4 . 1 1 44 44 ASP CA C 44 56.875 56.875 56.144 0.731 18712 2066 1 4 . 1 1 44 44 ASP CB C 44 40.000 40.000 40.902 -0.902 18712 2067 1 4 . 1 1 44 44 ASP H H 44 8.281 8.281 8.725 -0.444 18712 2068 1 4 . 1 1 45 45 ARG N N 45 118.140 118.140 116.875 1.265 18712 2069 1 4 . 1 1 45 45 ARG HA H 45 4.366 4.366 4.242 0.124 18712 2070 1 4 . 1 1 45 45 ARG CA C 45 55.117 55.117 56.559 -1.442 18712 2071 1 4 . 1 1 45 45 ARG CB C 45 30.859 30.859 30.488 0.371 18712 2072 1 4 . 1 1 45 45 ARG H H 45 8.500 8.500 8.301 0.199 18712 2073 1 4 . 1 1 46 46 GLY N N 46 101.828 101.828 106.384 -4.556 18712 2074 1 4 . 1 1 46 46 GLY CA C 46 45.273 45.273 45.052 0.221 18712 2075 1 4 . 1 1 46 46 GLY H H 46 7.680 7.680 7.872 -0.192 18712 2076 1 4 . 1 1 47 47 VAL N N 47 119.955 119.955 119.193 0.762 18712 2077 1 4 . 1 1 47 47 VAL HA H 47 4.406 4.406 4.220 0.186 18712 2078 1 4 . 1 1 47 47 VAL CA C 47 61.796 61.796 60.572 1.224 18712 2079 1 4 . 1 1 47 47 VAL CB C 47 33.672 33.672 33.531 0.141 18712 2080 1 4 . 1 1 47 47 VAL H H 47 8.007 8.007 7.384 0.623 18712 2081 1 4 . 1 1 48 48 ILE N N 48 128.406 128.406 124.827 3.579 18712 2082 1 4 . 1 1 48 48 ILE HA H 48 4.202 4.202 3.948 0.254 18712 2083 1 4 . 1 1 48 48 ILE CA C 48 59.687 59.687 60.785 -1.099 18712 2084 1 4 . 1 1 48 48 ILE CB C 48 38.945 38.945 36.755 2.190 18712 2085 1 4 . 1 1 48 48 ILE H H 48 8.145 8.145 8.135 0.010 18712 2086 1 4 . 1 1 49 49 ARG N N 49 123.765 123.765 127.379 -3.614 18712 2087 1 4 . 1 1 49 49 ARG HA H 49 4.328 4.328 4.279 0.049 18712 2088 1 4 . 1 1 49 49 ARG CA C 49 56.875 56.875 55.306 1.569 18712 2089 1 4 . 1 1 49 49 ARG CB C 49 31.563 31.563 31.350 0.213 18712 2090 1 4 . 1 1 49 49 ARG H H 49 7.447 7.447 7.749 -0.302 18712 2091 1 4 . 1 1 50 50 ILE N N 50 121.094 121.094 121.606 -0.512 18712 2092 1 4 . 1 1 50 50 ILE HA H 50 3.414 3.414 3.702 -0.288 18712 2093 1 4 . 1 1 50 50 ILE CA C 50 64.609 64.609 62.955 1.654 18712 2094 1 4 . 1 1 50 50 ILE H H 50 8.284 8.284 8.316 -0.032 18712 2095 1 4 . 1 1 51 51 GLY N N 51 115.791 115.791 113.454 2.337 18712 2096 1 4 . 1 1 51 51 GLY CA C 51 44.922 44.922 44.994 -0.072 18712 2097 1 4 . 1 1 51 51 GLY H H 51 8.679 8.679 8.882 -0.203 18712 2098 1 4 . 1 1 52 52 ALA N N 52 122.065 122.065 123.294 -1.229 18712 2099 1 4 . 1 1 52 52 ALA HA H 52 4.246 4.246 4.595 -0.349 18712 2100 1 4 . 1 1 52 52 ALA CA C 52 52.656 52.656 50.697 1.959 18712 2101 1 4 . 1 1 52 52 ALA CB C 52 18.906 18.906 20.296 -1.390 18712 2102 1 4 . 1 1 52 52 ALA H H 52 7.496 7.496 7.391 0.105 18712 2103 1 4 . 1 1 53 53 GLU N N 53 121.468 121.468 123.623 -2.155 18712 2104 1 4 . 1 1 53 53 GLU HA H 53 4.892 4.892 4.202 0.690 18712 2105 1 4 . 1 1 53 53 GLU CB C 53 30.508 30.508 30.182 0.326 18712 2106 1 4 . 1 1 53 53 GLU H H 53 8.427 8.427 8.577 -0.150 18712 2107 1 4 . 1 1 54 54 VAL N N 54 117.437 117.437 123.162 -5.725 18712 2108 1 4 . 1 1 54 54 VAL HA H 54 4.979 4.979 4.131 0.848 18712 2109 1 4 . 1 1 54 54 VAL CA C 54 58.632 58.632 61.281 -2.649 18712 2110 1 4 . 1 1 54 54 VAL CB C 54 35.781 35.781 32.834 2.946 18712 2111 1 4 . 1 1 54 54 VAL H H 54 9.002 9.002 8.207 0.795 18712 2112 1 4 . 1 1 55 55 LYS N N 55 123.906 123.906 123.325 0.581 18712 2113 1 4 . 1 1 55 55 LYS HA H 55 4.698 4.698 4.588 0.110 18712 2114 1 4 . 1 1 55 55 LYS CA C 55 53.359 53.359 54.602 -1.243 18712 2115 1 4 . 1 1 55 55 LYS CB C 55 35.781 35.781 34.742 1.039 18712 2116 1 4 . 1 1 55 55 LYS H H 55 9.244 9.244 7.911 1.333 18712 2117 1 4 . 1 1 56 56 ASP N N 56 118.562 118.562 119.790 -1.228 18712 2118 1 4 . 1 1 56 56 ASP HA H 56 3.764 3.764 4.382 -0.618 18712 2119 1 4 . 1 1 56 56 ASP CA C 56 56.172 56.172 56.513 -0.341 18712 2120 1 4 . 1 1 56 56 ASP CB C 56 40.000 40.000 40.658 -0.658 18712 2121 1 4 . 1 1 56 56 ASP H H 56 8.176 8.176 8.509 -0.333 18712 2122 1 4 . 1 1 57 57 GLY N N 57 112.515 112.515 111.853 0.662 18712 2123 1 4 . 1 1 57 57 GLY CA C 57 45.625 45.625 45.337 0.287 18712 2124 1 4 . 1 1 57 57 GLY H H 57 8.841 8.841 8.844 -0.003 18712 2125 1 4 . 1 1 58 58 ASP N N 58 121.375 121.375 121.307 0.068 18712 2126 1 4 . 1 1 58 58 ASP HA H 58 4.532 4.532 4.850 -0.318 18712 2127 1 4 . 1 1 58 58 ASP CA C 58 54.765 54.765 52.416 2.349 18712 2128 1 4 . 1 1 58 58 ASP CB C 58 41.055 41.055 40.581 0.474 18712 2129 1 4 . 1 1 58 58 ASP H H 58 8.209 8.209 7.860 0.349 18712 2130 1 4 . 1 1 59 59 LEU N N 59 119.828 119.828 122.708 -2.880 18712 2131 1 4 . 1 1 59 59 LEU HA H 59 3.976 3.976 4.236 -0.260 18712 2132 1 4 . 1 1 59 59 LEU CA C 59 56.875 56.875 55.132 1.743 18712 2133 1 4 . 1 1 59 59 LEU CB C 59 44.219 44.219 42.385 1.835 18712 2134 1 4 . 1 1 59 59 LEU H H 59 8.570 8.570 8.176 0.394 18712 2135 1 4 . 1 1 60 60 LEU N N 60 116.594 116.594 113.860 2.734 18712 2136 1 4 . 1 1 60 60 LEU HA H 60 4.518 4.518 3.972 0.546 18712 2137 1 4 . 1 1 60 60 LEU CB C 60 44.922 44.922 39.918 5.004 18712 2138 1 4 . 1 1 60 60 LEU H H 60 8.816 8.816 7.412 1.404 18712 2139 1 4 . 1 1 61 61 VAL N N 61 115.656 115.656 116.646 -0.990 18712 2140 1 4 . 1 1 61 61 VAL HA H 61 4.618 4.618 4.224 0.394 18712 2141 1 4 . 1 1 61 61 VAL CA C 61 61.093 61.093 60.334 0.759 18712 2142 1 4 . 1 1 61 61 VAL CB C 61 36.484 36.484 35.296 1.188 18712 2143 1 4 . 1 1 61 61 VAL H H 61 7.322 7.322 7.345 -0.023 18712 2144 1 4 . 1 1 62 62 GLY N N 62 117.191 117.191 114.100 3.091 18712 2145 1 4 . 1 1 62 62 GLY CA C 62 45.625 45.625 44.500 1.125 18712 2146 1 4 . 1 1 62 62 GLY H H 62 9.563 9.563 8.582 0.981 18712 2147 1 4 . 1 1 63 63 LYS N N 63 127.584 127.584 127.054 0.530 18712 2148 1 4 . 1 1 63 63 LYS HA H 63 5.328 5.328 4.738 0.590 18712 2149 1 4 . 1 1 63 63 LYS CA C 63 56.172 56.172 55.676 0.496 18712 2150 1 4 . 1 1 63 63 LYS CB C 63 35.078 35.078 36.108 -1.030 18712 2151 1 4 . 1 1 63 63 LYS H H 63 8.712 8.712 8.719 -0.007 18712 2152 1 4 . 1 1 64 64 VAL N N 64 114.383 114.383 120.208 -5.825 18712 2153 1 4 . 1 1 64 64 VAL HA H 64 5.523 5.523 4.812 0.711 18712 2154 1 4 . 1 1 64 64 VAL CA C 64 57.578 57.578 60.868 -3.290 18712 2155 1 4 . 1 1 64 64 VAL CB C 64 35.781 35.781 34.817 0.964 18712 2156 1 4 . 1 1 64 64 VAL H H 64 8.481 8.481 7.996 0.485 18712 2157 1 4 . 1 1 65 65 THR N N 65 118.431 118.431 116.996 1.435 18712 2158 1 4 . 1 1 65 65 THR HA H 65 4.602 4.602 4.887 -0.285 18712 2159 1 4 . 1 1 65 65 THR CA C 65 59.687 59.687 58.462 1.225 18712 2160 1 4 . 1 1 65 65 THR CB C 65 72.343 72.343 68.717 3.626 18712 2161 1 4 . 1 1 65 65 THR H H 65 8.637 8.637 8.007 0.630 18712 2162 1 4 . 1 1 66 66 PRO HA H 66 4.557 4.557 4.457 0.100 18712 2163 1 4 . 1 1 66 66 PRO CA C 66 63.906 63.906 62.783 1.123 18712 2164 1 4 . 1 1 66 66 PRO CB C 66 32.969 32.969 32.454 0.515 18712 2165 1 4 . 1 1 67 67 LYS N N 67 122.359 122.359 120.511 1.848 18712 2166 1 4 . 1 1 67 67 LYS HA H 67 4.391 4.391 4.640 -0.249 18712 2167 1 4 . 1 1 67 67 LYS CA C 67 56.172 56.172 54.632 1.540 18712 2168 1 4 . 1 1 67 67 LYS CB C 67 35.078 35.078 35.911 -0.833 18712 2169 1 4 . 1 1 67 67 LYS H H 67 8.371 8.371 7.886 0.485 18712 2170 1 4 . 1 1 68 68 GLY N N 68 109.563 109.563 107.253 2.310 18712 2171 1 4 . 1 1 68 68 GLY CA C 68 44.922 44.922 44.055 0.867 18712 2172 1 4 . 1 1 68 68 GLY H H 68 8.583 8.583 8.338 0.245 18712 2173 1 4 . 1 1 69 69 VAL N N 69 118.378 118.378 118.892 -0.514 18712 2174 1 4 . 1 1 69 69 VAL HA H 69 4.032 4.032 3.827 0.205 18712 2175 1 4 . 1 1 69 69 VAL CA C 69 63.203 63.203 65.004 -1.801 18712 2176 1 4 . 1 1 69 69 VAL CB C 69 32.266 32.266 32.076 0.190 18712 2177 1 4 . 1 1 69 69 VAL H H 69 8.235 8.235 8.363 -0.128 18712 2178 1 4 . 1 1 70 70 THR N N 70 114.484 114.484 115.115 -0.631 18712 2179 1 4 . 1 1 70 70 THR HA H 70 4.281 4.281 4.132 0.149 18712 2180 1 4 . 1 1 70 70 THR CA C 70 62.500 62.500 64.575 -2.075 18712 2181 1 4 . 1 1 70 70 THR CB C 70 69.531 69.531 68.837 0.694 18712 2182 1 4 . 1 1 70 70 THR H H 70 8.085 8.085 7.951 0.134 18712 2183 1 4 . 1 1 71 71 GLU N N 71 121.656 121.656 121.195 0.461 18712 2184 1 4 . 1 1 71 71 GLU HA H 71 4.325 4.325 4.456 -0.131 18712 2185 1 4 . 1 1 71 71 GLU CA C 71 56.172 56.172 55.314 0.858 18712 2186 1 4 . 1 1 71 71 GLU CB C 71 30.859 30.859 28.933 1.926 18712 2187 1 4 . 1 1 71 71 GLU H H 71 8.175 8.175 8.170 0.005 18712 2188 1 4 . 1 1 72 72 LEU N N 72 122.219 122.219 119.737 2.482 18712 2189 1 4 . 1 1 72 72 LEU HA H 72 4.534 4.534 4.480 0.054 18712 2190 1 4 . 1 1 72 72 LEU CA C 72 54.765 54.765 53.810 0.955 18712 2191 1 4 . 1 1 72 72 LEU CB C 72 42.812 42.812 44.304 -1.492 18712 2192 1 4 . 1 1 72 72 LEU H H 72 7.770 7.770 7.346 0.424 18712 2193 1 4 . 1 1 73 73 THR N N 73 114.407 114.407 110.906 3.501 18712 2194 1 4 . 1 1 73 73 THR HA H 73 4.405 4.405 4.493 -0.088 18712 2195 1 4 . 1 1 73 73 THR CA C 73 61.093 61.093 60.088 1.005 18712 2196 1 4 . 1 1 73 73 THR CB C 73 70.937 70.937 70.712 0.225 18712 2197 1 4 . 1 1 73 73 THR H H 73 8.869 8.869 8.038 0.831 18712 2198 1 4 . 1 1 74 74 ALA N N 74 123.782 123.782 125.740 -1.958 18712 2199 1 4 . 1 1 74 74 ALA HA H 74 4.026 4.026 4.037 -0.011 18712 2200 1 4 . 1 1 74 74 ALA CA C 74 55.468 55.468 54.792 0.676 18712 2201 1 4 . 1 1 74 74 ALA CB C 74 18.203 18.203 18.487 -0.284 18712 2202 1 4 . 1 1 74 74 ALA H H 74 8.831 8.831 8.804 0.027 18712 2203 1 4 . 1 1 75 75 GLU N N 75 117.578 117.578 118.233 -0.655 18712 2204 1 4 . 1 1 75 75 GLU HA H 75 4.043 4.043 4.026 0.017 18712 2205 1 4 . 1 1 75 75 GLU CA C 75 59.687 59.687 59.576 0.111 18712 2206 1 4 . 1 1 75 75 GLU CB C 75 29.453 29.453 29.207 0.246 18712 2207 1 4 . 1 1 75 75 GLU H H 75 8.637 8.637 8.807 -0.170 18712 2208 1 4 . 1 1 76 76 GLU N N 76 120.042 120.042 117.503 2.539 18712 2209 1 4 . 1 1 76 76 GLU HA H 76 4.010 4.010 4.078 -0.068 18712 2210 1 4 . 1 1 76 76 GLU CA C 76 58.281 58.281 58.712 -0.431 18712 2211 1 4 . 1 1 76 76 GLU CB C 76 30.859 30.859 29.278 1.581 18712 2212 1 4 . 1 1 76 76 GLU H H 76 7.847 7.847 7.685 0.162 18712 2213 1 4 . 1 1 77 77 ARG N N 77 119.687 119.687 118.634 1.053 18712 2214 1 4 . 1 1 77 77 ARG HA H 77 3.975 3.975 4.170 -0.195 18712 2215 1 4 . 1 1 77 77 ARG CA C 77 58.984 58.984 58.831 0.153 18712 2216 1 4 . 1 1 77 77 ARG CB C 77 30.156 30.156 30.292 -0.136 18712 2217 1 4 . 1 1 77 77 ARG H H 77 8.452 8.452 7.469 0.983 18712 2218 1 4 . 1 1 78 78 LEU N N 78 120.250 120.250 119.632 0.618 18712 2219 1 4 . 1 1 78 78 LEU HA H 78 4.210 4.210 4.309 -0.099 18712 2220 1 4 . 1 1 78 78 LEU CA C 78 56.875 56.875 57.682 -0.807 18712 2221 1 4 . 1 1 78 78 LEU CB C 78 42.109 42.109 41.614 0.495 18712 2222 1 4 . 1 1 78 78 LEU H H 78 7.685 7.685 7.649 0.036 18712 2223 1 4 . 1 1 79 79 LEU N N 79 119.265 119.265 118.909 0.356 18712 2224 1 4 . 1 1 79 79 LEU HA H 79 4.208 4.208 3.996 0.212 18712 2225 1 4 . 1 1 79 79 LEU CA C 79 56.875 56.875 57.836 -0.961 18712 2226 1 4 . 1 1 79 79 LEU CB C 79 42.109 42.109 41.248 0.861 18712 2227 1 4 . 1 1 79 79 LEU H H 79 7.679 7.679 8.267 -0.588 18712 2228 1 4 . 1 1 80 80 HIS N N 80 118.348 118.348 119.505 -1.157 18712 2229 1 4 . 1 1 80 80 HIS HA H 80 4.422 4.422 4.276 0.146 18712 2230 1 4 . 1 1 80 80 HIS CA C 80 57.578 57.578 59.883 -2.305 18712 2231 1 4 . 1 1 80 80 HIS CB C 80 30.156 30.156 29.852 0.303 18712 2232 1 4 . 1 1 80 80 HIS H H 80 8.127 8.127 7.603 0.524 18712 2233 1 4 . 1 1 81 81 ALA N N 81 122.359 122.359 121.139 1.220 18712 2234 1 4 . 1 1 81 81 ALA HA H 81 4.204 4.204 4.274 -0.070 18712 2235 1 4 . 1 1 81 81 ALA CA C 81 54.062 54.062 54.255 -0.193 18712 2236 1 4 . 1 1 81 81 ALA CB C 81 18.906 18.906 18.375 0.530 18712 2237 1 4 . 1 1 81 81 ALA H H 81 7.908 7.908 7.769 0.139 18712 2238 1 4 . 1 1 82 82 ILE N N 82 117.705 117.705 118.529 -0.824 18712 2239 1 4 . 1 1 82 82 ILE HA H 82 3.972 3.972 3.869 0.103 18712 2240 1 4 . 1 1 82 82 ILE CA C 82 62.500 62.500 62.995 -0.495 18712 2241 1 4 . 1 1 82 82 ILE CB C 82 38.594 38.594 37.217 1.377 18712 2242 1 4 . 1 1 82 82 ILE H H 82 7.780 7.780 7.384 0.396 18712 2243 1 4 . 1 1 83 83 PHE N N 83 120.528 120.528 118.221 2.307 18712 2244 1 4 . 1 1 83 83 PHE HA H 83 4.633 4.633 4.348 0.285 18712 2245 1 4 . 1 1 83 83 PHE CA C 83 58.281 58.281 59.164 -0.883 18712 2246 1 4 . 1 1 83 83 PHE CB C 83 40.000 40.000 39.904 0.096 18712 2247 1 4 . 1 1 83 83 PHE H H 83 8.227 8.227 8.108 0.119 18712 2248 1 4 . 1 1 84 84 GLY N N 84 110.328 110.328 107.181 3.147 18712 2249 1 4 . 1 1 84 84 GLY CA C 84 45.625 45.625 45.344 0.281 18712 2250 1 4 . 1 1 84 84 GLY H H 84 8.157 8.157 7.916 0.241 18712 2251 1 4 . 1 1 85 85 GLU N N 85 120.975 120.975 117.812 3.163 18712 2252 1 4 . 1 1 85 85 GLU HA H 85 4.234 4.234 4.265 -0.031 18712 2253 1 4 . 1 1 85 85 GLU CA C 85 57.226 57.226 54.770 2.456 18712 2254 1 4 . 1 1 85 85 GLU CB C 85 30.156 30.156 32.301 -2.145 18712 2255 1 4 . 1 1 85 85 GLU H H 85 8.374 8.374 7.603 0.771 18712 2256 1 4 . 1 1 86 86 LYS N N 86 121.202 121.202 123.124 -1.922 18712 2257 1 4 . 1 1 86 86 LYS HA H 86 4.291 4.291 4.120 0.171 18712 2258 1 4 . 1 1 86 86 LYS CA C 86 56.172 56.172 56.967 -0.794 18712 2259 1 4 . 1 1 86 86 LYS CB C 86 32.969 32.969 32.551 0.418 18712 2260 1 4 . 1 1 86 86 LYS H H 86 8.230 8.230 8.285 -0.055 18712 2261 1 4 . 1 1 87 87 ALA N N 87 124.596 124.596 127.023 -2.427 18712 2262 1 4 . 1 1 87 87 ALA HA H 87 4.236 4.236 4.510 -0.274 18712 2263 1 4 . 1 1 87 87 ALA CA C 87 52.656 52.656 51.283 1.373 18712 2264 1 4 . 1 1 87 87 ALA CB C 87 19.610 19.610 21.097 -1.487 18712 2265 1 4 . 1 1 87 87 ALA H H 87 8.179 8.179 8.331 -0.152 18712 2266 1 4 . 1 1 88 88 ARG N N 88 120.688 120.688 120.777 -0.089 18712 2267 1 4 . 1 1 88 88 ARG HA H 88 4.344 4.344 4.478 -0.134 18712 2268 1 4 . 1 1 88 88 ARG CA C 88 56.172 56.172 55.628 0.544 18712 2269 1 4 . 1 1 88 88 ARG CB C 88 30.859 30.859 31.556 -0.697 18712 2270 1 4 . 1 1 88 88 ARG H H 88 8.274 8.274 8.415 -0.141 18712 2271 1 4 . 1 1 89 89 GLU N N 89 124.469 124.469 124.271 0.198 18712 2272 1 4 . 1 1 89 89 GLU HA H 89 4.575 4.575 4.582 -0.007 18712 2273 1 4 . 1 1 89 89 GLU CA C 89 55.468 55.468 55.865 -0.397 18712 2274 1 4 . 1 1 89 89 GLU CB C 89 30.156 30.156 30.923 -0.767 18712 2275 1 4 . 1 1 89 89 GLU H H 89 8.632 8.632 8.665 -0.033 18712 2276 1 4 . 1 1 90 90 VAL N N 90 114.440 114.440 117.235 -2.795 18712 2277 1 4 . 1 1 90 90 VAL HA H 90 5.047 5.047 4.430 0.617 18712 2278 1 4 . 1 1 90 90 VAL CA C 90 58.984 58.984 59.358 -0.374 18712 2279 1 4 . 1 1 90 90 VAL CB C 90 36.484 36.484 34.771 1.713 18712 2280 1 4 . 1 1 90 90 VAL H H 90 8.246 8.246 8.261 -0.015 18712 2281 1 4 . 1 1 91 91 ARG N N 91 118.602 118.602 120.538 -1.936 18712 2282 1 4 . 1 1 91 91 ARG HA H 91 4.771 4.771 4.648 0.123 18712 2283 1 4 . 1 1 91 91 ARG CB C 91 33.672 33.672 31.823 1.849 18712 2284 1 4 . 1 1 91 91 ARG H H 91 9.062 9.062 8.343 0.719 18712 2285 1 4 . 1 1 92 92 ASP N N 92 121.656 121.656 123.748 -2.092 18712 2286 1 4 . 1 1 92 92 ASP HA H 92 4.754 4.754 4.570 0.184 18712 2287 1 4 . 1 1 92 92 ASP CB C 92 41.406 41.406 39.934 1.472 18712 2288 1 4 . 1 1 92 92 ASP H H 92 8.770 8.770 8.617 0.153 18712 2289 1 4 . 1 1 93 93 THR N N 93 124.654 124.654 116.108 8.546 18712 2290 1 4 . 1 1 93 93 THR HA H 93 4.586 4.586 4.367 0.219 18712 2291 1 4 . 1 1 93 93 THR CA C 93 60.390 60.390 61.020 -0.630 18712 2292 1 4 . 1 1 93 93 THR CB C 93 66.718 66.718 69.268 -2.550 18712 2293 1 4 . 1 1 93 93 THR H H 93 9.253 9.253 8.140 1.113 18712 2294 1 4 . 1 1 94 94 SER N N 94 117.437 117.437 115.931 1.506 18712 2295 1 4 . 1 1 94 94 SER HA H 94 4.455 4.455 4.437 0.018 18712 2296 1 4 . 1 1 94 94 SER CA C 94 60.390 60.390 59.053 1.337 18712 2297 1 4 . 1 1 94 94 SER CB C 94 63.906 63.906 64.391 -0.485 18712 2298 1 4 . 1 1 94 94 SER H H 94 8.564 8.564 7.749 0.815 18712 2299 1 4 . 1 1 95 95 LEU N N 95 125.594 125.594 119.161 6.433 18712 2300 1 4 . 1 1 95 95 LEU HA H 95 4.684 4.684 4.586 0.098 18712 2301 1 4 . 1 1 95 95 LEU CB C 95 43.516 43.516 43.309 0.207 18712 2302 1 4 . 1 1 95 95 LEU H H 95 8.964 8.964 8.253 0.711 18712 2303 1 4 . 1 1 96 96 ARG N N 96 128.669 128.669 121.189 7.480 18712 2304 1 4 . 1 1 96 96 ARG HA H 96 5.061 5.061 4.610 0.451 18712 2305 1 4 . 1 1 96 96 ARG CA C 96 54.062 54.062 55.355 -1.293 18712 2306 1 4 . 1 1 96 96 ARG CB C 96 34.375 34.375 31.200 3.175 18712 2307 1 4 . 1 1 96 96 ARG H H 96 8.709 8.709 8.395 0.314 18712 2308 1 4 . 1 1 97 97 VAL N N 97 121.375 121.375 124.394 -3.019 18712 2309 1 4 . 1 1 97 97 VAL HA H 97 3.386 3.386 4.651 -1.265 18712 2310 1 4 . 1 1 97 97 VAL CA C 97 61.093 61.093 59.131 1.962 18712 2311 1 4 . 1 1 97 97 VAL CB C 97 32.266 32.266 33.950 -1.683 18712 2312 1 4 . 1 1 97 97 VAL H H 97 8.745 8.745 8.621 0.124 18712 2313 1 4 . 1 1 98 98 PRO HA H 98 4.543 4.543 4.576 -0.033 18712 2314 1 4 . 1 1 98 98 PRO CA C 98 62.500 62.500 62.312 0.188 18712 2315 1 4 . 1 1 98 98 PRO CB C 98 32.969 32.969 32.591 0.378 18712 2316 1 4 . 1 1 99 99 HIS N N 99 118.140 118.140 116.399 1.741 18712 2317 1 4 . 1 1 99 99 HIS HA H 99 4.272 4.272 4.533 -0.261 18712 2318 1 4 . 1 1 99 99 HIS CA C 99 58.281 58.281 56.825 1.456 18712 2319 1 4 . 1 1 99 99 HIS CB C 99 30.156 30.156 29.345 0.811 18712 2320 1 4 . 1 1 99 99 HIS H H 99 8.368 8.368 8.378 -0.010 18712 2321 1 4 . 1 1 100 100 GLY N N 100 116.101 116.101 115.862 0.239 18712 2322 1 4 . 1 1 100 100 GLY CA C 100 45.625 45.625 45.364 0.261 18712 2323 1 4 . 1 1 100 100 GLY H H 100 9.411 9.411 8.896 0.515 18712 2324 1 4 . 1 1 101 101 GLY N N 101 108.798 108.798 109.495 -0.697 18712 2325 1 4 . 1 1 101 101 GLY CA C 101 45.625 45.625 45.581 0.044 18712 2326 1 4 . 1 1 101 101 GLY H H 101 8.399 8.399 7.888 0.511 18712 2327 1 4 . 1 1 102 102 GLY N N 102 105.967 105.967 110.275 -4.308 18712 2328 1 4 . 1 1 102 102 GLY CA C 102 45.625 45.625 45.203 0.422 18712 2329 1 4 . 1 1 102 102 GLY H H 102 8.310 8.310 8.294 0.016 18712 2330 1 4 . 1 1 103 103 GLY N N 103 107.574 107.574 108.135 -0.561 18712 2331 1 4 . 1 1 103 103 GLY CA C 103 46.328 46.328 43.787 2.541 18712 2332 1 4 . 1 1 103 103 GLY H H 103 8.075 8.075 7.636 0.439 18712 2333 1 4 . 1 1 104 104 ILE N N 104 122.219 122.219 118.385 3.834 18712 2334 1 4 . 1 1 104 104 ILE HA H 104 5.075 5.075 4.409 0.666 18712 2335 1 4 . 1 1 104 104 ILE CA C 104 58.281 58.281 60.135 -1.853 18712 2336 1 4 . 1 1 104 104 ILE CB C 104 40.703 40.703 42.630 -1.927 18712 2337 1 4 . 1 1 104 104 ILE H H 104 8.269 8.269 7.613 0.656 18712 2338 1 4 . 1 1 105 105 ILE N N 105 124.237 124.237 123.723 0.514 18712 2339 1 4 . 1 1 105 105 ILE HA H 105 4.312 4.312 4.212 0.100 18712 2340 1 4 . 1 1 105 105 ILE CA C 105 60.390 60.390 61.213 -0.823 18712 2341 1 4 . 1 1 105 105 ILE CB C 105 34.375 34.375 35.032 -0.657 18712 2342 1 4 . 1 1 105 105 ILE H H 105 8.965 8.965 8.293 0.672 18712 2343 1 4 . 1 1 106 106 HIS N N 106 135.053 135.053 129.035 6.018 18712 2344 1 4 . 1 1 106 106 HIS HA H 106 4.506 4.506 4.675 -0.169 18712 2345 1 4 . 1 1 106 106 HIS CA C 106 57.578 57.578 56.985 0.593 18712 2346 1 4 . 1 1 106 106 HIS CB C 106 33.672 33.672 31.969 1.703 18712 2347 1 4 . 1 1 106 106 HIS H H 106 9.604 9.604 8.619 0.985 18712 2348 1 4 . 1 1 107 107 ASP N N 107 112.528 112.528 118.570 -6.042 18712 2349 1 4 . 1 1 107 107 ASP HA H 107 4.707 4.707 4.814 -0.107 18712 2350 1 4 . 1 1 107 107 ASP CB C 107 42.812 42.812 45.455 -2.643 18712 2351 1 4 . 1 1 107 107 ASP H H 107 7.930 7.930 7.863 0.067 18712 2352 1 4 . 1 1 108 108 VAL N N 108 121.656 121.656 119.863 1.793 18712 2353 1 4 . 1 1 108 108 VAL HA H 108 5.028 5.028 4.489 0.539 18712 2354 1 4 . 1 1 108 108 VAL CA C 108 61.796 61.796 61.381 0.415 18712 2355 1 4 . 1 1 108 108 VAL CB C 108 36.484 36.484 35.035 1.449 18712 2356 1 4 . 1 1 108 108 VAL H H 108 8.325 8.325 8.405 -0.080 18712 2357 1 4 . 1 1 109 109 LYS N N 109 126.798 126.798 128.441 -1.643 18712 2358 1 4 . 1 1 109 109 LYS HA H 109 4.676 4.676 4.679 -0.003 18712 2359 1 4 . 1 1 109 109 LYS CB C 109 37.187 37.187 34.817 2.370 18712 2360 1 4 . 1 1 109 109 LYS H H 109 9.417 9.417 8.619 0.798 18712 2361 1 4 . 1 1 110 110 VAL N N 110 121.892 121.892 123.514 -1.622 18712 2362 1 4 . 1 1 110 110 VAL HA H 110 4.676 4.676 4.240 0.436 18712 2363 1 4 . 1 1 110 110 VAL CB C 110 33.672 33.672 34.425 -0.753 18712 2364 1 4 . 1 1 110 110 VAL H H 110 8.206 8.206 8.264 -0.058 18712 2365 1 4 . 1 1 111 111 PHE N N 111 126.578 126.578 127.581 -1.003 18712 2366 1 4 . 1 1 111 111 PHE HA H 111 4.995 4.995 4.778 0.217 18712 2367 1 4 . 1 1 111 111 PHE CA C 111 56.172 56.172 55.548 0.624 18712 2368 1 4 . 1 1 111 111 PHE CB C 111 42.109 42.109 41.126 0.983 18712 2369 1 4 . 1 1 111 111 PHE H H 111 9.459 9.459 9.128 0.331 18712 2370 1 4 . 1 1 112 112 ASN N N 112 121.797 121.797 118.993 2.804 18712 2371 1 4 . 1 1 112 112 ASN HA H 112 5.425 5.425 5.182 0.243 18712 2372 1 4 . 1 1 112 112 ASN CA C 112 52.656 52.656 52.765 -0.109 18712 2373 1 4 . 1 1 112 112 ASN CB C 112 42.109 42.109 42.319 -0.210 18712 2374 1 4 . 1 1 112 112 ASN H H 112 10.663 10.663 8.620 2.043 18712 2375 1 4 . 1 1 113 113 ARG N N 113 130.516 130.516 125.777 4.739 18712 2376 1 4 . 1 1 113 113 ARG HA H 113 4.435 4.435 4.324 0.111 18712 2377 1 4 . 1 1 113 113 ARG CA C 113 59.687 59.687 59.272 0.415 18712 2378 1 4 . 1 1 113 113 ARG CB C 113 30.859 30.859 29.851 1.008 18712 2379 1 4 . 1 1 113 113 ARG H H 113 9.138 9.138 9.025 0.113 18712 2380 1 4 . 1 1 114 114 GLU N N 114 119.008 119.008 119.483 -0.475 18712 2381 1 4 . 1 1 114 114 GLU HA H 114 4.142 4.142 4.091 0.051 18712 2382 1 4 . 1 1 114 114 GLU CA C 114 58.281 58.281 58.504 -0.223 18712 2383 1 4 . 1 1 114 114 GLU CB C 114 29.453 29.453 29.019 0.434 18712 2384 1 4 . 1 1 114 114 GLU H H 114 8.924 8.924 8.399 0.525 18712 2385 1 4 . 1 1 115 115 ASP N N 115 116.593 116.593 117.075 -0.482 18712 2386 1 4 . 1 1 115 115 ASP HA H 115 4.869 4.869 4.553 0.316 18712 2387 1 4 . 1 1 115 115 ASP CA C 115 54.062 54.062 54.283 -0.221 18712 2388 1 4 . 1 1 115 115 ASP CB C 115 42.109 42.109 41.775 0.334 18712 2389 1 4 . 1 1 115 115 ASP H H 115 7.356 7.356 7.751 -0.395 18712 2390 1 4 . 1 1 116 116 GLY N N 116 106.689 106.689 107.144 -0.455 18712 2391 1 4 . 1 1 116 116 GLY CA C 116 44.922 44.922 44.595 0.327 18712 2392 1 4 . 1 1 116 116 GLY H H 116 7.918 7.918 7.875 0.043 18712 2393 1 4 . 1 1 117 117 ASP N N 117 119.329 119.329 121.821 -2.492 18712 2394 1 4 . 1 1 117 117 ASP HA H 117 4.632 4.632 4.799 -0.167 18712 2395 1 4 . 1 1 117 117 ASP CA C 117 55.468 55.468 54.020 1.448 18712 2396 1 4 . 1 1 117 117 ASP CB C 117 41.406 41.406 41.535 -0.129 18712 2397 1 4 . 1 1 117 117 ASP H H 117 7.220 7.220 7.826 -0.606 18712 2398 1 4 . 1 1 118 118 GLU N N 118 123.484 123.484 125.318 -1.834 18712 2399 1 4 . 1 1 118 118 GLU HA H 118 4.240 4.240 4.400 -0.160 18712 2400 1 4 . 1 1 118 118 GLU CA C 118 56.875 56.875 56.763 0.112 18712 2401 1 4 . 1 1 118 118 GLU CB C 118 29.453 29.453 30.526 -1.073 18712 2402 1 4 . 1 1 118 118 GLU H H 118 8.626 8.626 8.572 0.054 18712 2403 1 4 . 1 1 119 119 LEU N N 119 129.139 129.139 126.452 2.687 18712 2404 1 4 . 1 1 119 119 LEU HA H 119 4.759 4.759 4.849 -0.090 18712 2405 1 4 . 1 1 119 119 LEU CB C 119 44.219 44.219 44.271 -0.052 18712 2406 1 4 . 1 1 119 119 LEU H H 119 8.106 8.106 8.258 -0.152 18712 2407 1 4 . 1 1 120 120 PRO CB C 120 31.914 31.914 30.985 0.929 18712 2408 1 4 . 1 1 121 121 PRO HA H 121 4.269 4.269 4.336 -0.067 18712 2409 1 4 . 1 1 121 121 PRO CA C 121 63.906 63.906 63.750 0.156 18712 2410 1 4 . 1 1 121 121 PRO CB C 121 31.563 31.563 31.223 0.341 18712 2411 1 4 . 1 1 122 122 GLY N N 122 112.656 112.656 111.695 0.961 18712 2412 1 4 . 1 1 122 122 GLY CA C 122 45.625 45.625 44.858 0.767 18712 2413 1 4 . 1 1 122 122 GLY H H 122 8.827 8.827 8.676 0.151 18712 2414 1 4 . 1 1 123 123 VAL N N 123 119.406 119.406 119.656 -0.250 18712 2415 1 4 . 1 1 123 123 VAL HA H 123 4.017 4.017 4.978 -0.961 18712 2416 1 4 . 1 1 123 123 VAL CA C 123 62.851 62.851 60.203 2.648 18712 2417 1 4 . 1 1 123 123 VAL CB C 123 32.266 32.266 33.964 -1.698 18712 2418 1 4 . 1 1 123 123 VAL H H 123 7.845 7.845 7.284 0.561 18712 2419 1 4 . 1 1 124 124 ASN N N 124 124.609 124.609 121.967 2.642 18712 2420 1 4 . 1 1 124 124 ASN HA H 124 4.877 4.877 4.918 -0.041 18712 2421 1 4 . 1 1 124 124 ASN CA C 124 54.765 54.765 53.256 1.509 18712 2422 1 4 . 1 1 124 124 ASN CB C 124 40.000 40.000 40.969 -0.969 18712 2423 1 4 . 1 1 124 124 ASN H H 124 9.206 9.206 8.812 0.394 18712 2424 1 4 . 1 1 125 125 GLN N N 125 117.959 117.959 115.147 2.812 18712 2425 1 4 . 1 1 125 125 GLN HA H 125 5.234 5.234 4.655 0.579 18712 2426 1 4 . 1 1 125 125 GLN CA C 125 56.172 56.172 55.183 0.989 18712 2427 1 4 . 1 1 125 125 GLN CB C 125 33.672 33.672 32.857 0.815 18712 2428 1 4 . 1 1 125 125 GLN H H 125 7.756 7.756 7.565 0.191 18712 2429 1 4 . 1 1 126 126 LEU N N 126 125.559 125.559 122.486 3.073 18712 2430 1 4 . 1 1 126 126 LEU HA H 126 5.261 5.261 4.959 0.302 18712 2431 1 4 . 1 1 126 126 LEU CA C 126 54.765 54.765 54.843 -0.078 18712 2432 1 4 . 1 1 126 126 LEU CB C 126 47.734 47.734 46.046 1.688 18712 2433 1 4 . 1 1 126 126 LEU H H 126 8.866 8.866 8.333 0.533 18712 2434 1 4 . 1 1 127 127 VAL N N 127 126.578 126.578 126.341 0.237 18712 2435 1 4 . 1 1 127 127 VAL HA H 127 5.127 5.127 4.725 0.402 18712 2436 1 4 . 1 1 127 127 VAL CA C 127 60.390 60.390 60.015 0.375 18712 2437 1 4 . 1 1 127 127 VAL CB C 127 35.078 35.078 35.557 -0.479 18712 2438 1 4 . 1 1 127 127 VAL H H 127 9.367 9.367 9.134 0.233 18712 2439 1 4 . 1 1 128 128 ARG N N 128 126.578 126.578 126.593 -0.015 18712 2440 1 4 . 1 1 128 128 ARG HA H 128 5.259 5.259 5.125 0.134 18712 2441 1 4 . 1 1 128 128 ARG CA C 128 54.765 54.765 53.987 0.778 18712 2442 1 4 . 1 1 128 128 ARG CB C 128 33.672 33.672 34.433 -0.761 18712 2443 1 4 . 1 1 128 128 ARG H H 128 9.502 9.502 9.006 0.496 18712 2444 1 4 . 1 1 129 129 VAL N N 129 123.977 123.977 119.456 4.521 18712 2445 1 4 . 1 1 129 129 VAL HA H 129 4.489 4.489 4.459 0.030 18712 2446 1 4 . 1 1 129 129 VAL CA C 129 61.093 61.093 61.038 0.055 18712 2447 1 4 . 1 1 129 129 VAL CB C 129 35.078 35.078 34.310 0.768 18712 2448 1 4 . 1 1 129 129 VAL H H 129 9.051 9.051 8.225 0.826 18712 2449 1 4 . 1 1 130 130 TYR N N 130 124.673 124.673 122.061 2.612 18712 2450 1 4 . 1 1 130 130 TYR HA H 130 5.419 5.419 5.054 0.365 18712 2451 1 4 . 1 1 130 130 TYR CA C 130 56.172 56.172 56.506 -0.334 18712 2452 1 4 . 1 1 130 130 TYR CB C 130 39.297 39.297 40.294 -0.997 18712 2453 1 4 . 1 1 130 130 TYR H H 130 8.650 8.650 8.699 -0.049 18712 2454 1 4 . 1 1 131 131 ILE N N 131 125.227 125.227 124.800 0.427 18712 2455 1 4 . 1 1 131 131 ILE HA H 131 4.869 4.869 4.718 0.151 18712 2456 1 4 . 1 1 131 131 ILE CB C 131 40.000 40.000 41.132 -1.132 18712 2457 1 4 . 1 1 131 131 ILE H H 131 9.509 9.509 8.946 0.563 18712 2458 1 4 . 1 1 132 132 VAL N N 132 126.859 126.859 125.000 1.859 18712 2459 1 4 . 1 1 132 132 VAL HA H 132 4.729 4.729 5.122 -0.393 18712 2460 1 4 . 1 1 132 132 VAL CA C 132 61.093 61.093 58.929 2.164 18712 2461 1 4 . 1 1 132 132 VAL CB C 132 33.672 33.672 32.846 0.826 18712 2462 1 4 . 1 1 132 132 VAL H H 132 9.606 9.606 8.010 1.596 18712 2463 1 4 . 1 1 133 133 GLN N N 133 128.406 128.406 125.684 2.722 18712 2464 1 4 . 1 1 133 133 GLN HA H 133 4.751 4.751 4.602 0.149 18712 2465 1 4 . 1 1 133 133 GLN CA C 133 54.765 54.765 54.325 0.440 18712 2466 1 4 . 1 1 133 133 GLN CB C 133 31.563 31.563 29.026 2.537 18712 2467 1 4 . 1 1 133 133 GLN H H 133 9.153 9.153 8.597 0.556 18712 2468 1 4 . 1 1 134 134 LYS N N 134 122.929 122.929 124.889 -1.960 18712 2469 1 4 . 1 1 134 134 LYS HA H 134 4.725 4.725 4.236 0.489 18712 2470 1 4 . 1 1 134 134 LYS CA C 134 56.172 56.172 55.875 0.297 18712 2471 1 4 . 1 1 134 134 LYS CB C 134 33.320 33.320 33.048 0.272 18712 2472 1 4 . 1 1 134 134 LYS H H 134 8.561 8.561 8.243 0.318 18712 2473 1 4 . 1 1 135 135 ARG N N 135 123.484 123.484 121.432 2.052 18712 2474 1 4 . 1 1 135 135 ARG HA H 135 4.503 4.503 4.085 0.418 18712 2475 1 4 . 1 1 135 135 ARG CA C 135 55.468 55.468 56.290 -0.822 18712 2476 1 4 . 1 1 135 135 ARG CB C 135 32.266 32.266 29.815 2.451 18712 2477 1 4 . 1 1 135 135 ARG H H 135 8.596 8.596 8.427 0.169 18712 2478 1 4 . 1 1 136 136 LYS N N 136 123.906 123.906 122.234 1.672 18712 2479 1 4 . 1 1 136 136 LYS HA H 136 4.467 4.467 4.519 -0.052 18712 2480 1 4 . 1 1 136 136 LYS CA C 136 56.172 56.172 54.469 1.703 18712 2481 1 4 . 1 1 136 136 LYS CB C 136 32.969 32.969 34.517 -1.548 18712 2482 1 4 . 1 1 136 136 LYS H H 136 8.608 8.608 8.221 0.387 18712 2483 1 4 . 1 1 137 137 ILE N N 137 123.571 123.571 117.190 6.381 18712 2484 1 4 . 1 1 137 137 ILE HA H 137 4.184 4.184 4.028 0.156 18712 2485 1 4 . 1 1 137 137 ILE CA C 137 61.093 61.093 61.170 -0.077 18712 2486 1 4 . 1 1 137 137 ILE CB C 137 38.594 38.594 38.404 0.190 18712 2487 1 4 . 1 1 137 137 ILE H H 137 8.353 8.353 8.259 0.094 18712 2488 1 4 . 1 1 138 138 SER N N 138 119.547 119.547 117.598 1.949 18712 2489 1 4 . 1 1 138 138 SER HA H 138 4.503 4.503 4.323 0.180 18712 2490 1 4 . 1 1 138 138 SER CA C 138 58.281 58.281 58.727 -0.446 18712 2491 1 4 . 1 1 138 138 SER CB C 138 63.906 63.906 63.782 0.124 18712 2492 1 4 . 1 1 138 138 SER H H 138 8.410 8.410 8.322 0.088 18712 2493 1 4 . 1 1 139 139 GLU N N 139 123.281 123.281 126.904 -3.623 18712 2494 1 4 . 1 1 139 139 GLU HA H 139 4.307 4.307 4.092 0.215 18712 2495 1 4 . 1 1 139 139 GLU CA C 139 56.875 56.875 57.116 -0.241 18712 2496 1 4 . 1 1 139 139 GLU CB C 139 30.156 30.156 29.713 0.443 18712 2497 1 4 . 1 1 139 139 GLU H H 139 8.489 8.489 8.630 -0.141 18712 2498 1 4 . 1 1 140 140 GLY N N 140 109.792 109.792 111.404 -1.612 18712 2499 1 4 . 1 1 140 140 GLY CA C 140 45.625 45.625 44.882 0.743 18712 2500 1 4 . 1 1 140 140 GLY H H 140 8.418 8.418 8.652 -0.234 18712 2501 1 5 . 1 1 4 4 VAL N N 4 119.125 119.125 120.449 -1.324 18712 2502 1 5 . 1 1 4 4 VAL HA H 4 4.070 4.070 4.187 -0.117 18712 2503 1 5 . 1 1 4 4 VAL CA C 4 62.500 62.500 61.686 0.814 18712 2504 1 5 . 1 1 4 4 VAL CB C 4 32.969 32.969 33.761 -0.792 18712 2505 1 5 . 1 1 4 4 VAL H H 4 7.998 7.998 8.096 -0.098 18712 2506 1 5 . 1 1 5 5 TYR N N 5 122.640 122.640 124.414 -1.774 18712 2507 1 5 . 1 1 5 5 TYR HA H 5 4.674 4.674 4.697 -0.023 18712 2508 1 5 . 1 1 5 5 TYR CA C 5 58.281 58.281 56.593 1.688 18712 2509 1 5 . 1 1 5 5 TYR CB C 5 38.594 38.594 37.845 0.749 18712 2510 1 5 . 1 1 5 5 TYR H H 5 8.305 8.305 8.548 -0.243 18712 2511 1 5 . 1 1 6 6 THR N N 6 114.861 114.861 117.547 -2.686 18712 2512 1 5 . 1 1 6 6 THR HA H 6 4.548 4.548 4.194 0.354 18712 2513 1 5 . 1 1 6 6 THR CA C 6 61.796 61.796 62.240 -0.444 18712 2514 1 5 . 1 1 6 6 THR CB C 6 70.234 70.234 69.524 0.710 18712 2515 1 5 . 1 1 6 6 THR H H 6 8.003 8.003 8.552 -0.549 18712 2516 1 5 . 1 1 7 7 SER N N 7 118.140 118.140 119.285 -1.145 18712 2517 1 5 . 1 1 7 7 SER HA H 7 4.600 4.600 4.707 -0.107 18712 2518 1 5 . 1 1 7 7 SER CA C 7 57.578 57.578 57.665 -0.087 18712 2519 1 5 . 1 1 7 7 SER CB C 7 64.609 64.609 64.076 0.534 18712 2520 1 5 . 1 1 7 7 SER H H 7 8.487 8.487 8.273 0.214 18712 2521 1 5 . 1 1 8 8 ILE N N 8 121.375 121.375 121.968 -0.593 18712 2522 1 5 . 1 1 8 8 ILE HA H 8 4.627 4.627 4.216 0.411 18712 2523 1 5 . 1 1 8 8 ILE CA C 8 60.390 60.390 61.301 -0.911 18712 2524 1 5 . 1 1 8 8 ILE CB C 8 40.000 40.000 38.533 1.467 18712 2525 1 5 . 1 1 8 8 ILE H H 8 8.139 8.139 8.226 -0.087 18712 2526 1 5 . 1 1 9 9 HIS N N 9 125.734 125.734 125.178 0.556 18712 2527 1 5 . 1 1 9 9 HIS HA H 9 4.768 4.768 4.801 -0.033 18712 2528 1 5 . 1 1 9 9 HIS CB C 9 32.617 32.617 32.685 -0.068 18712 2529 1 5 . 1 1 9 9 HIS H H 9 8.743 8.743 8.620 0.123 18712 2530 1 5 . 1 1 10 10 ILE N N 10 125.875 125.875 121.870 4.005 18712 2531 1 5 . 1 1 10 10 ILE HA H 10 4.806 4.806 4.375 0.431 18712 2532 1 5 . 1 1 10 10 ILE CB C 10 39.297 39.297 38.153 1.144 18712 2533 1 5 . 1 1 10 10 ILE H H 10 8.035 8.035 8.487 -0.452 18712 2534 1 5 . 1 1 11 11 GLU N N 11 129.438 129.438 128.695 0.743 18712 2535 1 5 . 1 1 11 11 GLU HA H 11 4.472 4.472 4.581 -0.109 18712 2536 1 5 . 1 1 11 11 GLU CA C 11 54.062 54.062 55.215 -1.153 18712 2537 1 5 . 1 1 11 11 GLU CB C 11 32.617 32.617 31.795 0.822 18712 2538 1 5 . 1 1 11 11 GLU H H 11 8.934 8.934 8.920 0.014 18712 2539 1 5 . 1 1 12 12 GLU N N 12 123.983 123.983 121.486 2.497 18712 2540 1 5 . 1 1 12 12 GLU HA H 12 4.752 4.752 4.531 0.221 18712 2541 1 5 . 1 1 12 12 GLU CA C 12 54.062 54.062 55.399 -1.337 18712 2542 1 5 . 1 1 12 12 GLU CB C 12 32.617 32.617 31.413 1.204 18712 2543 1 5 . 1 1 12 12 GLU H H 12 8.192 8.192 8.542 -0.350 18712 2544 1 5 . 1 1 13 13 TYR N N 13 122.826 122.826 125.344 -2.518 18712 2545 1 5 . 1 1 13 13 TYR HA H 13 4.741 4.741 4.714 0.027 18712 2546 1 5 . 1 1 13 13 TYR CB C 13 42.812 42.812 41.051 1.761 18712 2547 1 5 . 1 1 13 13 TYR H H 13 8.926 8.926 8.948 -0.022 18712 2548 1 5 . 1 1 14 14 GLU N N 14 119.329 119.329 120.591 -1.262 18712 2549 1 5 . 1 1 14 14 GLU HA H 14 5.647 5.647 4.757 0.890 18712 2550 1 5 . 1 1 14 14 GLU CA C 14 54.765 54.765 55.079 -0.314 18712 2551 1 5 . 1 1 14 14 GLU CB C 14 34.375 34.375 32.859 1.516 18712 2552 1 5 . 1 1 14 14 GLU H H 14 8.716 8.716 8.570 0.146 18712 2553 1 5 . 1 1 15 15 SER N N 15 116.172 116.172 118.306 -2.134 18712 2554 1 5 . 1 1 15 15 SER HA H 15 4.616 4.616 4.800 -0.184 18712 2555 1 5 . 1 1 15 15 SER CA C 15 57.578 57.578 58.338 -0.760 18712 2556 1 5 . 1 1 15 15 SER CB C 15 66.015 66.015 65.294 0.721 18712 2557 1 5 . 1 1 15 15 SER H H 15 8.922 8.922 8.365 0.557 18712 2558 1 5 . 1 1 16 16 GLU N N 16 125.172 125.172 123.335 1.837 18712 2559 1 5 . 1 1 16 16 GLU HA H 16 5.082 5.082 4.801 0.281 18712 2560 1 5 . 1 1 16 16 GLU CA C 16 54.062 54.062 53.740 0.322 18712 2561 1 5 . 1 1 16 16 GLU CB C 16 32.969 32.969 33.326 -0.357 18712 2562 1 5 . 1 1 16 16 GLU H H 16 8.587 8.587 8.183 0.404 18712 2563 1 5 . 1 1 17 17 ALA N N 17 124.890 124.890 127.371 -2.481 18712 2564 1 5 . 1 1 17 17 ALA HA H 17 4.969 4.969 4.315 0.654 18712 2565 1 5 . 1 1 17 17 ALA CA C 17 50.547 50.547 51.977 -1.430 18712 2566 1 5 . 1 1 17 17 ALA CB C 17 19.610 19.610 19.244 0.367 18712 2567 1 5 . 1 1 17 17 ALA H H 17 9.000 9.000 8.296 0.704 18712 2568 1 5 . 1 1 18 18 ARG N N 18 125.376 125.376 125.339 0.037 18712 2569 1 5 . 1 1 18 18 ARG HA H 18 5.175 5.175 5.023 0.152 18712 2570 1 5 . 1 1 18 18 ARG CA C 18 54.765 54.765 54.499 0.266 18712 2571 1 5 . 1 1 18 18 ARG CB C 18 34.375 34.375 31.280 3.095 18712 2572 1 5 . 1 1 18 18 ARG H H 18 9.624 9.624 7.983 1.641 18712 2573 1 5 . 1 1 19 19 ASP N N 19 119.828 119.828 122.770 -2.942 18712 2574 1 5 . 1 1 19 19 ASP HA H 19 4.685 4.685 4.603 0.082 18712 2575 1 5 . 1 1 19 19 ASP CA C 19 55.117 55.117 54.068 1.049 18712 2576 1 5 . 1 1 19 19 ASP CB C 19 41.406 41.406 41.190 0.216 18712 2577 1 5 . 1 1 19 19 ASP H H 19 8.420 8.420 8.189 0.231 18712 2578 1 5 . 1 1 20 20 THR N N 20 112.948 112.948 114.439 -1.491 18712 2579 1 5 . 1 1 20 20 THR HA H 20 4.979 4.979 4.302 0.677 18712 2580 1 5 . 1 1 20 20 THR CA C 20 60.390 60.390 60.800 -0.410 18712 2581 1 5 . 1 1 20 20 THR CB C 20 73.046 73.046 69.633 3.413 18712 2582 1 5 . 1 1 20 20 THR H H 20 7.602 7.602 8.201 -0.599 18712 2583 1 5 . 1 1 21 21 LYS HA H 21 4.146 4.146 4.399 -0.253 18712 2584 1 5 . 1 1 21 21 LYS CA C 21 58.984 58.984 57.726 1.258 18712 2585 1 5 . 1 1 21 21 LYS CB C 21 32.266 32.266 31.672 0.594 18712 2586 1 5 . 1 1 22 22 LEU N N 22 117.346 117.346 121.725 -4.379 18712 2587 1 5 . 1 1 22 22 LEU HA H 22 4.532 4.532 4.542 -0.010 18712 2588 1 5 . 1 1 22 22 LEU CA C 22 54.062 54.062 54.528 -0.466 18712 2589 1 5 . 1 1 22 22 LEU CB C 22 42.812 42.812 42.407 0.405 18712 2590 1 5 . 1 1 22 22 LEU H H 22 7.848 7.848 7.413 0.435 18712 2591 1 5 . 1 1 23 23 GLY N N 23 108.437 108.437 109.917 -1.480 18712 2592 1 5 . 1 1 23 23 GLY CA C 23 43.516 43.516 44.532 -1.016 18712 2593 1 5 . 1 1 23 23 GLY H H 23 7.407 7.407 7.562 -0.155 18712 2594 1 5 . 1 1 24 24 PRO HA H 24 4.894 4.894 4.625 0.269 18712 2595 1 5 . 1 1 24 24 PRO CA C 24 63.906 63.906 62.469 1.437 18712 2596 1 5 . 1 1 24 24 PRO CB C 24 31.563 31.563 33.038 -1.475 18712 2597 1 5 . 1 1 25 25 GLU N N 25 118.281 118.281 117.919 0.362 18712 2598 1 5 . 1 1 25 25 GLU HA H 25 4.621 4.621 4.466 0.155 18712 2599 1 5 . 1 1 25 25 GLU CA C 25 56.523 56.523 56.966 -0.443 18712 2600 1 5 . 1 1 25 25 GLU CB C 25 32.266 32.266 31.464 0.802 18712 2601 1 5 . 1 1 25 25 GLU H H 25 8.341 8.341 8.732 -0.391 18712 2602 1 5 . 1 1 26 26 GLU N N 26 119.406 119.406 118.420 0.986 18712 2603 1 5 . 1 1 26 26 GLU HA H 26 4.710 4.710 4.508 0.202 18712 2604 1 5 . 1 1 26 26 GLU CA C 26 54.765 54.765 55.706 -0.941 18712 2605 1 5 . 1 1 26 26 GLU CB C 26 33.672 33.672 31.032 2.640 18712 2606 1 5 . 1 1 26 26 GLU H H 26 8.336 8.336 7.842 0.494 18712 2607 1 5 . 1 1 27 27 ILE N N 27 127.472 127.472 122.228 5.244 18712 2608 1 5 . 1 1 27 27 ILE HA H 27 5.009 5.009 4.223 0.786 18712 2609 1 5 . 1 1 27 27 ILE CA C 27 60.390 60.390 61.828 -1.438 18712 2610 1 5 . 1 1 27 27 ILE CB C 27 37.187 37.187 38.852 -1.665 18712 2611 1 5 . 1 1 27 27 ILE H H 27 8.405 8.405 8.555 -0.150 18712 2612 1 5 . 1 1 28 28 THR N N 28 124.387 124.387 119.577 4.810 18712 2613 1 5 . 1 1 28 28 THR HA H 28 4.492 4.492 4.629 -0.137 18712 2614 1 5 . 1 1 28 28 THR CA C 28 59.687 59.687 60.827 -1.140 18712 2615 1 5 . 1 1 28 28 THR CB C 28 68.125 68.125 70.684 -2.559 18712 2616 1 5 . 1 1 28 28 THR H H 28 8.191 8.191 8.376 -0.185 18712 2617 1 5 . 1 1 29 29 ARG N N 29 120.568 120.568 121.828 -1.260 18712 2618 1 5 . 1 1 29 29 ARG HA H 29 4.202 4.202 4.612 -0.410 18712 2619 1 5 . 1 1 29 29 ARG CA C 29 55.468 55.468 55.462 0.006 18712 2620 1 5 . 1 1 29 29 ARG CB C 29 32.266 32.266 31.340 0.926 18712 2621 1 5 . 1 1 29 29 ARG H H 29 7.995 7.995 8.462 -0.467 18712 2622 1 5 . 1 1 30 30 ASP N N 30 123.906 123.906 123.478 0.428 18712 2623 1 5 . 1 1 30 30 ASP HA H 30 4.619 4.619 4.719 -0.100 18712 2624 1 5 . 1 1 30 30 ASP CA C 30 53.359 53.359 53.800 -0.441 18712 2625 1 5 . 1 1 30 30 ASP CB C 30 38.594 38.594 42.325 -3.732 18712 2626 1 5 . 1 1 30 30 ASP H H 30 8.784 8.784 8.704 0.081 18712 2627 1 5 . 1 1 31 31 ILE N N 31 123.422 123.422 123.039 0.383 18712 2628 1 5 . 1 1 31 31 ILE HA H 31 4.063 4.063 4.513 -0.450 18712 2629 1 5 . 1 1 31 31 ILE CA C 31 57.578 57.578 56.623 0.955 18712 2630 1 5 . 1 1 31 31 ILE CB C 31 40.703 40.703 36.699 4.004 18712 2631 1 5 . 1 1 31 31 ILE H H 31 7.404 7.404 8.011 -0.607 18712 2632 1 5 . 1 1 32 32 PRO HA H 32 4.273 4.273 4.472 -0.199 18712 2633 1 5 . 1 1 32 32 PRO CA C 32 63.554 63.554 63.042 0.512 18712 2634 1 5 . 1 1 32 32 PRO CB C 32 32.266 32.266 32.245 0.021 18712 2635 1 5 . 1 1 33 33 ASN N N 33 114.027 114.027 117.455 -3.428 18712 2636 1 5 . 1 1 33 33 ASN HA H 33 4.269 4.269 4.438 -0.169 18712 2637 1 5 . 1 1 33 33 ASN CA C 33 55.117 55.117 53.818 1.299 18712 2638 1 5 . 1 1 33 33 ASN CB C 33 37.891 37.891 37.038 0.853 18712 2639 1 5 . 1 1 33 33 ASN H H 33 8.880 8.880 8.630 0.250 18712 2640 1 5 . 1 1 34 34 VAL N N 34 117.111 117.111 119.289 -2.178 18712 2641 1 5 . 1 1 34 34 VAL HA H 34 4.249 4.249 4.291 -0.042 18712 2642 1 5 . 1 1 34 34 VAL CA C 34 62.148 62.148 61.316 0.832 18712 2643 1 5 . 1 1 34 34 VAL CB C 34 33.672 33.672 33.528 0.144 18712 2644 1 5 . 1 1 34 34 VAL H H 34 7.328 7.328 7.525 -0.197 18712 2645 1 5 . 1 1 35 35 GLY N N 35 113.600 113.600 111.438 2.162 18712 2646 1 5 . 1 1 35 35 GLY CA C 35 44.219 44.219 44.659 -0.440 18712 2647 1 5 . 1 1 35 35 GLY H H 35 8.653 8.653 8.524 0.129 18712 2648 1 5 . 1 1 36 36 GLU N N 36 118.562 118.562 123.215 -4.653 18712 2649 1 5 . 1 1 36 36 GLU HA H 36 3.888 3.888 3.960 -0.072 18712 2650 1 5 . 1 1 36 36 GLU CA C 36 59.687 59.687 58.751 0.936 18712 2651 1 5 . 1 1 36 36 GLU CB C 36 29.453 29.453 29.302 0.151 18712 2652 1 5 . 1 1 36 36 GLU H H 36 8.457 8.457 8.877 -0.420 18712 2653 1 5 . 1 1 37 37 ASP N N 37 118.140 118.140 120.369 -2.229 18712 2654 1 5 . 1 1 37 37 ASP HA H 37 4.335 4.335 4.503 -0.168 18712 2655 1 5 . 1 1 37 37 ASP CA C 37 56.875 56.875 56.264 0.611 18712 2656 1 5 . 1 1 37 37 ASP CB C 37 40.000 40.000 39.990 0.010 18712 2657 1 5 . 1 1 37 37 ASP H H 37 8.728 8.728 8.645 0.083 18712 2658 1 5 . 1 1 38 38 ALA N N 38 120.752 120.752 120.531 0.221 18712 2659 1 5 . 1 1 38 38 ALA HA H 38 4.288 4.288 4.484 -0.196 18712 2660 1 5 . 1 1 38 38 ALA CA C 38 53.359 53.359 54.136 -0.777 18712 2661 1 5 . 1 1 38 38 ALA CB C 38 18.555 18.555 19.059 -0.504 18712 2662 1 5 . 1 1 38 38 ALA H H 38 7.642 7.642 7.673 -0.031 18712 2663 1 5 . 1 1 39 39 LEU N N 39 117.015 117.015 111.599 5.416 18712 2664 1 5 . 1 1 39 39 LEU HA H 39 4.295 4.295 4.758 -0.463 18712 2665 1 5 . 1 1 39 39 LEU CA C 39 54.765 54.765 53.916 0.849 18712 2666 1 5 . 1 1 39 39 LEU CB C 39 43.164 43.164 41.722 1.442 18712 2667 1 5 . 1 1 39 39 LEU H H 39 7.446 7.446 7.135 0.311 18712 2668 1 5 . 1 1 40 40 ARG N N 40 118.017 118.017 119.709 -1.692 18712 2669 1 5 . 1 1 40 40 ARG HA H 40 4.064 4.064 4.134 -0.070 18712 2670 1 5 . 1 1 40 40 ARG CA C 40 59.687 59.687 58.416 1.270 18712 2671 1 5 . 1 1 40 40 ARG CB C 40 30.508 30.508 30.207 0.301 18712 2672 1 5 . 1 1 40 40 ARG H H 40 7.079 7.079 7.706 -0.627 18712 2673 1 5 . 1 1 41 41 ASN N N 41 115.439 115.439 116.518 -1.079 18712 2674 1 5 . 1 1 41 41 ASN HA H 41 4.996 4.996 4.776 0.220 18712 2675 1 5 . 1 1 41 41 ASN CA C 41 53.359 53.359 52.962 0.397 18712 2676 1 5 . 1 1 41 41 ASN CB C 41 39.297 39.297 39.768 -0.471 18712 2677 1 5 . 1 1 41 41 ASN H H 41 9.057 9.057 8.272 0.785 18712 2678 1 5 . 1 1 42 42 LEU N N 42 118.703 118.703 121.685 -2.982 18712 2679 1 5 . 1 1 42 42 LEU HA H 42 4.403 4.403 4.153 0.250 18712 2680 1 5 . 1 1 42 42 LEU CA C 42 54.062 54.062 56.399 -2.337 18712 2681 1 5 . 1 1 42 42 LEU CB C 42 42.812 42.812 42.513 0.299 18712 2682 1 5 . 1 1 42 42 LEU H H 42 7.719 7.719 7.880 -0.161 18712 2683 1 5 . 1 1 43 43 ASP N N 43 122.791 122.791 125.836 -3.045 18712 2684 1 5 . 1 1 43 43 ASP HA H 43 4.481 4.481 4.818 -0.337 18712 2685 1 5 . 1 1 43 43 ASP CA C 43 52.656 52.656 52.866 -0.210 18712 2686 1 5 . 1 1 43 43 ASP CB C 43 39.648 39.648 42.123 -2.475 18712 2687 1 5 . 1 1 43 43 ASP H H 43 8.933 8.933 7.982 0.951 18712 2688 1 5 . 1 1 44 44 ASP N N 44 114.917 114.917 119.664 -4.747 18712 2689 1 5 . 1 1 44 44 ASP HA H 44 4.278 4.278 4.460 -0.182 18712 2690 1 5 . 1 1 44 44 ASP CA C 44 56.875 56.875 56.770 0.105 18712 2691 1 5 . 1 1 44 44 ASP CB C 44 40.000 40.000 40.336 -0.336 18712 2692 1 5 . 1 1 44 44 ASP H H 44 8.281 8.281 8.821 -0.540 18712 2693 1 5 . 1 1 45 45 ARG N N 45 118.140 118.140 117.482 0.658 18712 2694 1 5 . 1 1 45 45 ARG HA H 45 4.366 4.366 4.329 0.037 18712 2695 1 5 . 1 1 45 45 ARG CA C 45 55.117 55.117 56.336 -1.219 18712 2696 1 5 . 1 1 45 45 ARG CB C 45 30.859 30.859 30.635 0.224 18712 2697 1 5 . 1 1 45 45 ARG H H 45 8.500 8.500 8.208 0.292 18712 2698 1 5 . 1 1 46 46 GLY N N 46 101.828 101.828 106.402 -4.574 18712 2699 1 5 . 1 1 46 46 GLY CA C 46 45.273 45.273 45.050 0.223 18712 2700 1 5 . 1 1 46 46 GLY H H 46 7.680 7.680 7.848 -0.168 18712 2701 1 5 . 1 1 47 47 VAL N N 47 119.955 119.955 118.374 1.581 18712 2702 1 5 . 1 1 47 47 VAL HA H 47 4.406 4.406 4.332 0.074 18712 2703 1 5 . 1 1 47 47 VAL CA C 47 61.796 61.796 59.151 2.645 18712 2704 1 5 . 1 1 47 47 VAL CB C 47 33.672 33.672 35.165 -1.493 18712 2705 1 5 . 1 1 47 47 VAL H H 47 8.007 8.007 7.332 0.675 18712 2706 1 5 . 1 1 48 48 ILE N N 48 128.406 128.406 127.648 0.758 18712 2707 1 5 . 1 1 48 48 ILE HA H 48 4.202 4.202 3.997 0.205 18712 2708 1 5 . 1 1 48 48 ILE CA C 48 59.687 59.687 60.977 -1.290 18712 2709 1 5 . 1 1 48 48 ILE CB C 48 38.945 38.945 36.508 2.437 18712 2710 1 5 . 1 1 48 48 ILE H H 48 8.145 8.145 8.233 -0.088 18712 2711 1 5 . 1 1 49 49 ARG N N 49 123.765 123.765 128.045 -4.280 18712 2712 1 5 . 1 1 49 49 ARG HA H 49 4.328 4.328 4.127 0.201 18712 2713 1 5 . 1 1 49 49 ARG CA C 49 56.875 56.875 56.574 0.301 18712 2714 1 5 . 1 1 49 49 ARG CB C 49 31.563 31.563 31.240 0.323 18712 2715 1 5 . 1 1 49 49 ARG H H 49 7.447 7.447 7.651 -0.204 18712 2716 1 5 . 1 1 50 50 ILE N N 50 121.094 121.094 119.712 1.382 18712 2717 1 5 . 1 1 50 50 ILE HA H 50 3.414 3.414 3.858 -0.444 18712 2718 1 5 . 1 1 50 50 ILE CA C 50 64.609 64.609 61.309 3.300 18712 2719 1 5 . 1 1 50 50 ILE H H 50 8.284 8.284 8.237 0.047 18712 2720 1 5 . 1 1 51 51 GLY N N 51 115.791 115.791 113.011 2.780 18712 2721 1 5 . 1 1 51 51 GLY CA C 51 44.922 44.922 45.157 -0.235 18712 2722 1 5 . 1 1 51 51 GLY H H 51 8.679 8.679 8.905 -0.226 18712 2723 1 5 . 1 1 52 52 ALA N N 52 122.065 122.065 122.910 -0.845 18712 2724 1 5 . 1 1 52 52 ALA HA H 52 4.246 4.246 4.535 -0.289 18712 2725 1 5 . 1 1 52 52 ALA CA C 52 52.656 52.656 50.904 1.752 18712 2726 1 5 . 1 1 52 52 ALA CB C 52 18.906 18.906 20.528 -1.622 18712 2727 1 5 . 1 1 52 52 ALA H H 52 7.496 7.496 7.487 0.009 18712 2728 1 5 . 1 1 53 53 GLU N N 53 121.468 121.468 122.463 -0.995 18712 2729 1 5 . 1 1 53 53 GLU HA H 53 4.892 4.892 4.212 0.680 18712 2730 1 5 . 1 1 53 53 GLU CB C 53 30.508 30.508 30.208 0.300 18712 2731 1 5 . 1 1 53 53 GLU H H 53 8.427 8.427 8.586 -0.159 18712 2732 1 5 . 1 1 54 54 VAL N N 54 117.437 117.437 124.483 -7.046 18712 2733 1 5 . 1 1 54 54 VAL HA H 54 4.979 4.979 4.129 0.850 18712 2734 1 5 . 1 1 54 54 VAL CA C 54 58.632 58.632 60.608 -1.976 18712 2735 1 5 . 1 1 54 54 VAL CB C 54 35.781 35.781 33.204 2.577 18712 2736 1 5 . 1 1 54 54 VAL H H 54 9.002 9.002 8.168 0.834 18712 2737 1 5 . 1 1 55 55 LYS N N 55 123.906 123.906 124.488 -0.582 18712 2738 1 5 . 1 1 55 55 LYS HA H 55 4.698 4.698 4.682 0.016 18712 2739 1 5 . 1 1 55 55 LYS CA C 55 53.359 53.359 54.593 -1.234 18712 2740 1 5 . 1 1 55 55 LYS CB C 55 35.781 35.781 34.805 0.976 18712 2741 1 5 . 1 1 55 55 LYS H H 55 9.244 9.244 7.752 1.492 18712 2742 1 5 . 1 1 56 56 ASP N N 56 118.562 118.562 119.062 -0.500 18712 2743 1 5 . 1 1 56 56 ASP HA H 56 3.764 3.764 4.401 -0.637 18712 2744 1 5 . 1 1 56 56 ASP CA C 56 56.172 56.172 55.741 0.431 18712 2745 1 5 . 1 1 56 56 ASP CB C 56 40.000 40.000 40.661 -0.661 18712 2746 1 5 . 1 1 56 56 ASP H H 56 8.176 8.176 8.432 -0.256 18712 2747 1 5 . 1 1 57 57 GLY N N 57 112.515 112.515 111.162 1.353 18712 2748 1 5 . 1 1 57 57 GLY CA C 57 45.625 45.625 45.337 0.288 18712 2749 1 5 . 1 1 57 57 GLY H H 57 8.841 8.841 8.892 -0.051 18712 2750 1 5 . 1 1 58 58 ASP N N 58 121.375 121.375 121.880 -0.505 18712 2751 1 5 . 1 1 58 58 ASP HA H 58 4.532 4.532 4.966 -0.434 18712 2752 1 5 . 1 1 58 58 ASP CA C 58 54.765 54.765 52.610 2.155 18712 2753 1 5 . 1 1 58 58 ASP CB C 58 41.055 41.055 41.192 -0.137 18712 2754 1 5 . 1 1 58 58 ASP H H 58 8.209 8.209 7.714 0.495 18712 2755 1 5 . 1 1 59 59 LEU N N 59 119.828 119.828 123.040 -3.212 18712 2756 1 5 . 1 1 59 59 LEU HA H 59 3.976 3.976 4.324 -0.348 18712 2757 1 5 . 1 1 59 59 LEU CA C 59 56.875 56.875 54.088 2.787 18712 2758 1 5 . 1 1 59 59 LEU CB C 59 44.219 44.219 42.355 1.864 18712 2759 1 5 . 1 1 59 59 LEU H H 59 8.570 8.570 8.594 -0.024 18712 2760 1 5 . 1 1 60 60 LEU N N 60 116.594 116.594 112.389 4.205 18712 2761 1 5 . 1 1 60 60 LEU HA H 60 4.518 4.518 4.012 0.506 18712 2762 1 5 . 1 1 60 60 LEU CB C 60 44.922 44.922 39.977 4.945 18712 2763 1 5 . 1 1 60 60 LEU H H 60 8.816 8.816 8.094 0.722 18712 2764 1 5 . 1 1 61 61 VAL N N 61 115.656 115.656 112.115 3.541 18712 2765 1 5 . 1 1 61 61 VAL HA H 61 4.618 4.618 4.424 0.194 18712 2766 1 5 . 1 1 61 61 VAL CA C 61 61.093 61.093 59.638 1.456 18712 2767 1 5 . 1 1 61 61 VAL CB C 61 36.484 36.484 34.578 1.906 18712 2768 1 5 . 1 1 61 61 VAL H H 61 7.322 7.322 7.338 -0.016 18712 2769 1 5 . 1 1 62 62 GLY N N 62 117.191 117.191 111.535 5.656 18712 2770 1 5 . 1 1 62 62 GLY CA C 62 45.625 45.625 44.386 1.239 18712 2771 1 5 . 1 1 62 62 GLY H H 62 9.563 9.563 8.198 1.365 18712 2772 1 5 . 1 1 63 63 LYS N N 63 127.584 127.584 126.949 0.635 18712 2773 1 5 . 1 1 63 63 LYS HA H 63 5.328 5.328 4.681 0.647 18712 2774 1 5 . 1 1 63 63 LYS CA C 63 56.172 56.172 55.672 0.500 18712 2775 1 5 . 1 1 63 63 LYS CB C 63 35.078 35.078 35.132 -0.054 18712 2776 1 5 . 1 1 63 63 LYS H H 63 8.712 8.712 8.008 0.704 18712 2777 1 5 . 1 1 64 64 VAL N N 64 114.383 114.383 120.673 -6.290 18712 2778 1 5 . 1 1 64 64 VAL HA H 64 5.523 5.523 5.169 0.354 18712 2779 1 5 . 1 1 64 64 VAL CA C 64 57.578 57.578 60.311 -2.733 18712 2780 1 5 . 1 1 64 64 VAL CB C 64 35.781 35.781 35.811 -0.030 18712 2781 1 5 . 1 1 64 64 VAL H H 64 8.481 8.481 7.960 0.521 18712 2782 1 5 . 1 1 65 65 THR N N 65 118.431 118.431 112.668 5.763 18712 2783 1 5 . 1 1 65 65 THR HA H 65 4.602 4.602 4.907 -0.305 18712 2784 1 5 . 1 1 65 65 THR CA C 65 59.687 59.687 58.859 0.828 18712 2785 1 5 . 1 1 65 65 THR CB C 65 72.343 72.343 69.996 2.346 18712 2786 1 5 . 1 1 65 65 THR H H 65 8.637 8.637 8.155 0.482 18712 2787 1 5 . 1 1 66 66 PRO HA H 66 4.557 4.557 4.797 -0.240 18712 2788 1 5 . 1 1 66 66 PRO CA C 66 63.906 63.906 62.353 1.553 18712 2789 1 5 . 1 1 66 66 PRO CB C 66 32.969 32.969 32.241 0.728 18712 2790 1 5 . 1 1 67 67 LYS N N 67 122.359 122.359 122.255 0.104 18712 2791 1 5 . 1 1 67 67 LYS HA H 67 4.391 4.391 4.600 -0.209 18712 2792 1 5 . 1 1 67 67 LYS CA C 67 56.172 56.172 54.900 1.272 18712 2793 1 5 . 1 1 67 67 LYS CB C 67 35.078 35.078 36.346 -1.268 18712 2794 1 5 . 1 1 67 67 LYS H H 67 8.371 8.371 8.638 -0.267 18712 2795 1 5 . 1 1 68 68 GLY N N 68 109.563 109.563 108.468 1.095 18712 2796 1 5 . 1 1 68 68 GLY CA C 68 44.922 44.922 43.876 1.046 18712 2797 1 5 . 1 1 68 68 GLY H H 68 8.583 8.583 8.250 0.333 18712 2798 1 5 . 1 1 69 69 VAL N N 69 118.378 118.378 114.555 3.823 18712 2799 1 5 . 1 1 69 69 VAL HA H 69 4.032 4.032 4.145 -0.113 18712 2800 1 5 . 1 1 69 69 VAL CA C 69 63.203 63.203 64.104 -0.901 18712 2801 1 5 . 1 1 69 69 VAL CB C 69 32.266 32.266 32.002 0.264 18712 2802 1 5 . 1 1 69 69 VAL H H 69 8.235 8.235 8.274 -0.039 18712 2803 1 5 . 1 1 70 70 THR N N 70 114.484 114.484 112.666 1.818 18712 2804 1 5 . 1 1 70 70 THR HA H 70 4.281 4.281 4.062 0.219 18712 2805 1 5 . 1 1 70 70 THR CA C 70 62.500 62.500 64.381 -1.881 18712 2806 1 5 . 1 1 70 70 THR CB C 70 69.531 69.531 68.401 1.130 18712 2807 1 5 . 1 1 70 70 THR H H 70 8.085 8.085 7.954 0.131 18712 2808 1 5 . 1 1 71 71 GLU N N 71 121.656 121.656 120.851 0.805 18712 2809 1 5 . 1 1 71 71 GLU HA H 71 4.325 4.325 4.598 -0.273 18712 2810 1 5 . 1 1 71 71 GLU CA C 71 56.172 56.172 55.639 0.533 18712 2811 1 5 . 1 1 71 71 GLU CB C 71 30.859 30.859 29.666 1.193 18712 2812 1 5 . 1 1 71 71 GLU H H 71 8.175 8.175 8.196 -0.021 18712 2813 1 5 . 1 1 72 72 LEU N N 72 122.219 122.219 120.655 1.564 18712 2814 1 5 . 1 1 72 72 LEU HA H 72 4.534 4.534 4.706 -0.172 18712 2815 1 5 . 1 1 72 72 LEU CA C 72 54.765 54.765 53.280 1.485 18712 2816 1 5 . 1 1 72 72 LEU CB C 72 42.812 42.812 45.151 -2.339 18712 2817 1 5 . 1 1 72 72 LEU H H 72 7.770 7.770 7.545 0.225 18712 2818 1 5 . 1 1 73 73 THR N N 73 114.407 114.407 111.450 2.957 18712 2819 1 5 . 1 1 73 73 THR HA H 73 4.405 4.405 4.525 -0.120 18712 2820 1 5 . 1 1 73 73 THR CA C 73 61.093 61.093 60.036 1.056 18712 2821 1 5 . 1 1 73 73 THR CB C 73 70.937 70.937 71.124 -0.187 18712 2822 1 5 . 1 1 73 73 THR H H 73 8.869 8.869 8.365 0.504 18712 2823 1 5 . 1 1 74 74 ALA N N 74 123.782 123.782 125.625 -1.843 18712 2824 1 5 . 1 1 74 74 ALA HA H 74 4.026 4.026 4.044 -0.018 18712 2825 1 5 . 1 1 74 74 ALA CA C 74 55.468 55.468 55.053 0.415 18712 2826 1 5 . 1 1 74 74 ALA CB C 74 18.203 18.203 18.326 -0.123 18712 2827 1 5 . 1 1 74 74 ALA H H 74 8.831 8.831 8.879 -0.048 18712 2828 1 5 . 1 1 75 75 GLU N N 75 117.578 117.578 117.597 -0.019 18712 2829 1 5 . 1 1 75 75 GLU HA H 75 4.043 4.043 4.028 0.015 18712 2830 1 5 . 1 1 75 75 GLU CA C 75 59.687 59.687 59.531 0.156 18712 2831 1 5 . 1 1 75 75 GLU CB C 75 29.453 29.453 29.216 0.237 18712 2832 1 5 . 1 1 75 75 GLU H H 75 8.637 8.637 8.908 -0.271 18712 2833 1 5 . 1 1 76 76 GLU N N 76 120.042 120.042 118.155 1.887 18712 2834 1 5 . 1 1 76 76 GLU HA H 76 4.010 4.010 4.130 -0.120 18712 2835 1 5 . 1 1 76 76 GLU CA C 76 58.281 58.281 58.221 0.060 18712 2836 1 5 . 1 1 76 76 GLU CB C 76 30.859 30.859 29.488 1.371 18712 2837 1 5 . 1 1 76 76 GLU H H 76 7.847 7.847 7.583 0.264 18712 2838 1 5 . 1 1 77 77 ARG N N 77 119.687 119.687 119.389 0.298 18712 2839 1 5 . 1 1 77 77 ARG HA H 77 3.975 3.975 4.126 -0.151 18712 2840 1 5 . 1 1 77 77 ARG CA C 77 58.984 58.984 59.321 -0.337 18712 2841 1 5 . 1 1 77 77 ARG CB C 77 30.156 30.156 30.343 -0.187 18712 2842 1 5 . 1 1 77 77 ARG H H 77 8.452 8.452 7.859 0.593 18712 2843 1 5 . 1 1 78 78 LEU N N 78 120.250 120.250 118.655 1.595 18712 2844 1 5 . 1 1 78 78 LEU HA H 78 4.210 4.210 4.251 -0.041 18712 2845 1 5 . 1 1 78 78 LEU CA C 78 56.875 56.875 57.690 -0.815 18712 2846 1 5 . 1 1 78 78 LEU CB C 78 42.109 42.109 41.328 0.781 18712 2847 1 5 . 1 1 78 78 LEU H H 78 7.685 7.685 7.859 -0.174 18712 2848 1 5 . 1 1 79 79 LEU N N 79 119.265 119.265 119.890 -0.625 18712 2849 1 5 . 1 1 79 79 LEU HA H 79 4.208 4.208 4.053 0.155 18712 2850 1 5 . 1 1 79 79 LEU CA C 79 56.875 56.875 57.753 -0.878 18712 2851 1 5 . 1 1 79 79 LEU CB C 79 42.109 42.109 41.531 0.578 18712 2852 1 5 . 1 1 79 79 LEU H H 79 7.679 7.679 7.689 -0.010 18712 2853 1 5 . 1 1 80 80 HIS N N 80 118.348 118.348 119.674 -1.326 18712 2854 1 5 . 1 1 80 80 HIS HA H 80 4.422 4.422 4.284 0.138 18712 2855 1 5 . 1 1 80 80 HIS CA C 80 57.578 57.578 58.731 -1.153 18712 2856 1 5 . 1 1 80 80 HIS CB C 80 30.156 30.156 29.288 0.868 18712 2857 1 5 . 1 1 80 80 HIS H H 80 8.127 8.127 7.725 0.402 18712 2858 1 5 . 1 1 81 81 ALA N N 81 122.359 122.359 120.944 1.415 18712 2859 1 5 . 1 1 81 81 ALA HA H 81 4.204 4.204 3.964 0.240 18712 2860 1 5 . 1 1 81 81 ALA CA C 81 54.062 54.062 54.323 -0.261 18712 2861 1 5 . 1 1 81 81 ALA CB C 81 18.906 18.906 18.022 0.884 18712 2862 1 5 . 1 1 81 81 ALA H H 81 7.908 7.908 7.758 0.150 18712 2863 1 5 . 1 1 82 82 ILE N N 82 117.705 117.705 117.883 -0.178 18712 2864 1 5 . 1 1 82 82 ILE HA H 82 3.972 3.972 3.871 0.101 18712 2865 1 5 . 1 1 82 82 ILE CA C 82 62.500 62.500 62.712 -0.212 18712 2866 1 5 . 1 1 82 82 ILE CB C 82 38.594 38.594 37.312 1.282 18712 2867 1 5 . 1 1 82 82 ILE H H 82 7.780 7.780 7.202 0.578 18712 2868 1 5 . 1 1 83 83 PHE N N 83 120.528 120.528 118.398 2.130 18712 2869 1 5 . 1 1 83 83 PHE HA H 83 4.633 4.633 4.357 0.276 18712 2870 1 5 . 1 1 83 83 PHE CA C 83 58.281 58.281 59.557 -1.276 18712 2871 1 5 . 1 1 83 83 PHE CB C 83 40.000 40.000 40.093 -0.093 18712 2872 1 5 . 1 1 83 83 PHE H H 83 8.227 8.227 8.138 0.089 18712 2873 1 5 . 1 1 84 84 GLY N N 84 110.328 110.328 106.929 3.399 18712 2874 1 5 . 1 1 84 84 GLY CA C 84 45.625 45.625 45.324 0.301 18712 2875 1 5 . 1 1 84 84 GLY H H 84 8.157 8.157 8.226 -0.069 18712 2876 1 5 . 1 1 85 85 GLU N N 85 120.975 120.975 115.387 5.588 18712 2877 1 5 . 1 1 85 85 GLU HA H 85 4.234 4.234 4.621 -0.387 18712 2878 1 5 . 1 1 85 85 GLU CA C 85 57.226 57.226 54.813 2.413 18712 2879 1 5 . 1 1 85 85 GLU CB C 85 30.156 30.156 31.501 -1.345 18712 2880 1 5 . 1 1 85 85 GLU H H 85 8.374 8.374 8.030 0.344 18712 2881 1 5 . 1 1 86 86 LYS N N 86 121.202 121.202 121.704 -0.502 18712 2882 1 5 . 1 1 86 86 LYS HA H 86 4.291 4.291 4.148 0.143 18712 2883 1 5 . 1 1 86 86 LYS CA C 86 56.172 56.172 56.588 -0.416 18712 2884 1 5 . 1 1 86 86 LYS CB C 86 32.969 32.969 32.570 0.399 18712 2885 1 5 . 1 1 86 86 LYS H H 86 8.230 8.230 8.560 -0.330 18712 2886 1 5 . 1 1 87 87 ALA N N 87 124.596 124.596 123.917 0.679 18712 2887 1 5 . 1 1 87 87 ALA HA H 87 4.236 4.236 4.493 -0.257 18712 2888 1 5 . 1 1 87 87 ALA CA C 87 52.656 52.656 51.226 1.430 18712 2889 1 5 . 1 1 87 87 ALA CB C 87 19.610 19.610 19.829 -0.219 18712 2890 1 5 . 1 1 87 87 ALA H H 87 8.179 8.179 7.838 0.341 18712 2891 1 5 . 1 1 88 88 ARG N N 88 120.688 120.688 121.306 -0.618 18712 2892 1 5 . 1 1 88 88 ARG HA H 88 4.344 4.344 4.286 0.058 18712 2893 1 5 . 1 1 88 88 ARG CA C 88 56.172 56.172 55.898 0.274 18712 2894 1 5 . 1 1 88 88 ARG CB C 88 30.859 30.859 30.511 0.348 18712 2895 1 5 . 1 1 88 88 ARG H H 88 8.274 8.274 8.373 -0.099 18712 2896 1 5 . 1 1 89 89 GLU N N 89 124.469 124.469 122.517 1.952 18712 2897 1 5 . 1 1 89 89 GLU HA H 89 4.575 4.575 4.631 -0.056 18712 2898 1 5 . 1 1 89 89 GLU CA C 89 55.468 55.468 55.286 0.182 18712 2899 1 5 . 1 1 89 89 GLU CB C 89 30.156 30.156 32.715 -2.559 18712 2900 1 5 . 1 1 89 89 GLU H H 89 8.632 8.632 8.606 0.026 18712 2901 1 5 . 1 1 90 90 VAL N N 90 114.440 114.440 119.702 -5.262 18712 2902 1 5 . 1 1 90 90 VAL HA H 90 5.047 5.047 4.914 0.133 18712 2903 1 5 . 1 1 90 90 VAL CA C 90 58.984 58.984 60.653 -1.669 18712 2904 1 5 . 1 1 90 90 VAL CB C 90 36.484 36.484 35.549 0.935 18712 2905 1 5 . 1 1 90 90 VAL H H 90 8.246 8.246 8.321 -0.075 18712 2906 1 5 . 1 1 91 91 ARG N N 91 118.602 118.602 123.662 -5.060 18712 2907 1 5 . 1 1 91 91 ARG HA H 91 4.771 4.771 4.697 0.074 18712 2908 1 5 . 1 1 91 91 ARG CB C 91 33.672 33.672 33.775 -0.103 18712 2909 1 5 . 1 1 91 91 ARG H H 91 9.062 9.062 8.982 0.080 18712 2910 1 5 . 1 1 92 92 ASP N N 92 121.656 121.656 124.994 -3.338 18712 2911 1 5 . 1 1 92 92 ASP HA H 92 4.754 4.754 4.746 0.008 18712 2912 1 5 . 1 1 92 92 ASP CB C 92 41.406 41.406 40.417 0.989 18712 2913 1 5 . 1 1 92 92 ASP H H 92 8.770 8.770 8.629 0.141 18712 2914 1 5 . 1 1 93 93 THR N N 93 124.654 124.654 113.659 10.995 18712 2915 1 5 . 1 1 93 93 THR HA H 93 4.586 4.586 4.476 0.110 18712 2916 1 5 . 1 1 93 93 THR CA C 93 60.390 60.390 61.267 -0.877 18712 2917 1 5 . 1 1 93 93 THR CB C 93 66.718 66.718 69.523 -2.805 18712 2918 1 5 . 1 1 93 93 THR H H 93 9.253 9.253 8.278 0.975 18712 2919 1 5 . 1 1 94 94 SER N N 94 117.437 117.437 118.947 -1.510 18712 2920 1 5 . 1 1 94 94 SER HA H 94 4.455 4.455 4.303 0.152 18712 2921 1 5 . 1 1 94 94 SER CA C 94 60.390 60.390 58.964 1.426 18712 2922 1 5 . 1 1 94 94 SER CB C 94 63.906 63.906 63.888 0.018 18712 2923 1 5 . 1 1 94 94 SER H H 94 8.564 8.564 7.581 0.983 18712 2924 1 5 . 1 1 95 95 LEU N N 95 125.594 125.594 116.846 8.748 18712 2925 1 5 . 1 1 95 95 LEU HA H 95 4.684 4.684 4.504 0.180 18712 2926 1 5 . 1 1 95 95 LEU CB C 95 43.516 43.516 42.997 0.519 18712 2927 1 5 . 1 1 95 95 LEU H H 95 8.964 8.964 8.121 0.843 18712 2928 1 5 . 1 1 96 96 ARG N N 96 128.669 128.669 122.572 6.097 18712 2929 1 5 . 1 1 96 96 ARG HA H 96 5.061 5.061 4.437 0.624 18712 2930 1 5 . 1 1 96 96 ARG CA C 96 54.062 54.062 55.245 -1.183 18712 2931 1 5 . 1 1 96 96 ARG CB C 96 34.375 34.375 30.424 3.951 18712 2932 1 5 . 1 1 96 96 ARG H H 96 8.709 8.709 8.473 0.236 18712 2933 1 5 . 1 1 97 97 VAL N N 97 121.375 121.375 128.046 -6.671 18712 2934 1 5 . 1 1 97 97 VAL HA H 97 3.386 3.386 4.495 -1.109 18712 2935 1 5 . 1 1 97 97 VAL CA C 97 61.093 61.093 59.527 1.566 18712 2936 1 5 . 1 1 97 97 VAL CB C 97 32.266 32.266 33.470 -1.204 18712 2937 1 5 . 1 1 97 97 VAL H H 97 8.745 8.745 8.537 0.208 18712 2938 1 5 . 1 1 98 98 PRO HA H 98 4.543 4.543 4.522 0.021 18712 2939 1 5 . 1 1 98 98 PRO CA C 98 62.500 62.500 62.481 0.019 18712 2940 1 5 . 1 1 98 98 PRO CB C 98 32.969 32.969 32.425 0.544 18712 2941 1 5 . 1 1 99 99 HIS N N 99 118.140 118.140 117.060 1.080 18712 2942 1 5 . 1 1 99 99 HIS HA H 99 4.272 4.272 4.379 -0.107 18712 2943 1 5 . 1 1 99 99 HIS CA C 99 58.281 58.281 56.794 1.486 18712 2944 1 5 . 1 1 99 99 HIS CB C 99 30.156 30.156 29.547 0.609 18712 2945 1 5 . 1 1 99 99 HIS H H 99 8.368 8.368 8.378 -0.010 18712 2946 1 5 . 1 1 100 100 GLY N N 100 116.101 116.101 115.586 0.515 18712 2947 1 5 . 1 1 100 100 GLY CA C 100 45.625 45.625 45.269 0.356 18712 2948 1 5 . 1 1 100 100 GLY H H 100 9.411 9.411 8.903 0.508 18712 2949 1 5 . 1 1 101 101 GLY N N 101 108.798 108.798 109.736 -0.938 18712 2950 1 5 . 1 1 101 101 GLY CA C 101 45.625 45.625 45.546 0.079 18712 2951 1 5 . 1 1 101 101 GLY H H 101 8.399 8.399 7.823 0.576 18712 2952 1 5 . 1 1 102 102 GLY N N 102 105.967 105.967 109.996 -4.029 18712 2953 1 5 . 1 1 102 102 GLY CA C 102 45.625 45.625 45.163 0.461 18712 2954 1 5 . 1 1 102 102 GLY H H 102 8.310 8.310 8.379 -0.069 18712 2955 1 5 . 1 1 103 103 GLY N N 103 107.574 107.574 107.450 0.124 18712 2956 1 5 . 1 1 103 103 GLY CA C 103 46.328 46.328 43.730 2.598 18712 2957 1 5 . 1 1 103 103 GLY H H 103 8.075 8.075 7.474 0.601 18712 2958 1 5 . 1 1 104 104 ILE N N 104 122.219 122.219 118.491 3.728 18712 2959 1 5 . 1 1 104 104 ILE HA H 104 5.075 5.075 4.403 0.672 18712 2960 1 5 . 1 1 104 104 ILE CA C 104 58.281 58.281 60.299 -2.018 18712 2961 1 5 . 1 1 104 104 ILE CB C 104 40.703 40.703 42.764 -2.061 18712 2962 1 5 . 1 1 104 104 ILE H H 104 8.269 8.269 7.927 0.342 18712 2963 1 5 . 1 1 105 105 ILE N N 105 124.237 124.237 124.737 -0.500 18712 2964 1 5 . 1 1 105 105 ILE HA H 105 4.312 4.312 4.318 -0.006 18712 2965 1 5 . 1 1 105 105 ILE CA C 105 60.390 60.390 60.977 -0.587 18712 2966 1 5 . 1 1 105 105 ILE CB C 105 34.375 34.375 35.025 -0.650 18712 2967 1 5 . 1 1 105 105 ILE H H 105 8.965 8.965 8.403 0.562 18712 2968 1 5 . 1 1 106 106 HIS N N 106 135.053 135.053 128.634 6.419 18712 2969 1 5 . 1 1 106 106 HIS HA H 106 4.506 4.506 4.698 -0.192 18712 2970 1 5 . 1 1 106 106 HIS CA C 106 57.578 57.578 56.409 1.169 18712 2971 1 5 . 1 1 106 106 HIS CB C 106 33.672 33.672 31.596 2.076 18712 2972 1 5 . 1 1 106 106 HIS H H 106 9.604 9.604 8.455 1.149 18712 2973 1 5 . 1 1 107 107 ASP N N 107 112.528 112.528 118.490 -5.962 18712 2974 1 5 . 1 1 107 107 ASP HA H 107 4.707 4.707 4.733 -0.026 18712 2975 1 5 . 1 1 107 107 ASP CB C 107 42.812 42.812 45.305 -2.493 18712 2976 1 5 . 1 1 107 107 ASP H H 107 7.930 7.930 7.758 0.172 18712 2977 1 5 . 1 1 108 108 VAL N N 108 121.656 121.656 120.266 1.390 18712 2978 1 5 . 1 1 108 108 VAL HA H 108 5.028 5.028 4.601 0.427 18712 2979 1 5 . 1 1 108 108 VAL CA C 108 61.796 61.796 61.164 0.632 18712 2980 1 5 . 1 1 108 108 VAL CB C 108 36.484 36.484 35.121 1.363 18712 2981 1 5 . 1 1 108 108 VAL H H 108 8.325 8.325 8.420 -0.095 18712 2982 1 5 . 1 1 109 109 LYS N N 109 126.798 126.798 128.013 -1.215 18712 2983 1 5 . 1 1 109 109 LYS HA H 109 4.676 4.676 4.646 0.030 18712 2984 1 5 . 1 1 109 109 LYS CB C 109 37.187 37.187 34.656 2.531 18712 2985 1 5 . 1 1 109 109 LYS H H 109 9.417 9.417 9.075 0.342 18712 2986 1 5 . 1 1 110 110 VAL N N 110 121.892 121.892 123.629 -1.737 18712 2987 1 5 . 1 1 110 110 VAL HA H 110 4.676 4.676 4.312 0.364 18712 2988 1 5 . 1 1 110 110 VAL CB C 110 33.672 33.672 33.777 -0.105 18712 2989 1 5 . 1 1 110 110 VAL H H 110 8.206 8.206 8.189 0.017 18712 2990 1 5 . 1 1 111 111 PHE N N 111 126.578 126.578 127.851 -1.273 18712 2991 1 5 . 1 1 111 111 PHE HA H 111 4.995 4.995 4.798 0.197 18712 2992 1 5 . 1 1 111 111 PHE CA C 111 56.172 56.172 55.990 0.181 18712 2993 1 5 . 1 1 111 111 PHE CB C 111 42.109 42.109 41.167 0.942 18712 2994 1 5 . 1 1 111 111 PHE H H 111 9.459 9.459 8.912 0.547 18712 2995 1 5 . 1 1 112 112 ASN N N 112 121.797 121.797 119.688 2.109 18712 2996 1 5 . 1 1 112 112 ASN HA H 112 5.425 5.425 5.101 0.324 18712 2997 1 5 . 1 1 112 112 ASN CA C 112 52.656 52.656 51.913 0.743 18712 2998 1 5 . 1 1 112 112 ASN CB C 112 42.109 42.109 41.890 0.219 18712 2999 1 5 . 1 1 112 112 ASN H H 112 10.663 10.663 8.656 2.007 18712 3000 1 5 . 1 1 113 113 ARG N N 113 130.516 130.516 125.500 5.016 18712 3001 1 5 . 1 1 113 113 ARG HA H 113 4.435 4.435 4.378 0.057 18712 3002 1 5 . 1 1 113 113 ARG CA C 113 59.687 59.687 58.593 1.094 18712 3003 1 5 . 1 1 113 113 ARG CB C 113 30.859 30.859 30.076 0.783 18712 3004 1 5 . 1 1 113 113 ARG H H 113 9.138 9.138 9.107 0.031 18712 3005 1 5 . 1 1 114 114 GLU N N 114 119.008 119.008 119.759 -0.751 18712 3006 1 5 . 1 1 114 114 GLU HA H 114 4.142 4.142 4.109 0.033 18712 3007 1 5 . 1 1 114 114 GLU CA C 114 58.281 58.281 58.597 -0.316 18712 3008 1 5 . 1 1 114 114 GLU CB C 114 29.453 29.453 28.866 0.587 18712 3009 1 5 . 1 1 114 114 GLU H H 114 8.924 8.924 8.233 0.691 18712 3010 1 5 . 1 1 115 115 ASP N N 115 116.593 116.593 118.822 -2.229 18712 3011 1 5 . 1 1 115 115 ASP HA H 115 4.869 4.869 4.563 0.306 18712 3012 1 5 . 1 1 115 115 ASP CA C 115 54.062 54.062 54.776 -0.715 18712 3013 1 5 . 1 1 115 115 ASP CB C 115 42.109 42.109 41.635 0.474 18712 3014 1 5 . 1 1 115 115 ASP H H 115 7.356 7.356 7.696 -0.340 18712 3015 1 5 . 1 1 116 116 GLY N N 116 106.689 106.689 108.391 -1.702 18712 3016 1 5 . 1 1 116 116 GLY CA C 116 44.922 44.922 44.565 0.357 18712 3017 1 5 . 1 1 116 116 GLY H H 116 7.918 7.918 7.805 0.113 18712 3018 1 5 . 1 1 117 117 ASP N N 117 119.329 119.329 121.179 -1.850 18712 3019 1 5 . 1 1 117 117 ASP HA H 117 4.632 4.632 4.598 0.034 18712 3020 1 5 . 1 1 117 117 ASP CA C 117 55.468 55.468 53.875 1.593 18712 3021 1 5 . 1 1 117 117 ASP CB C 117 41.406 41.406 42.107 -0.701 18712 3022 1 5 . 1 1 117 117 ASP H H 117 7.220 7.220 7.784 -0.564 18712 3023 1 5 . 1 1 118 118 GLU N N 118 123.484 123.484 125.280 -1.796 18712 3024 1 5 . 1 1 118 118 GLU HA H 118 4.240 4.240 4.393 -0.153 18712 3025 1 5 . 1 1 118 118 GLU CA C 118 56.875 56.875 56.875 0.000 18712 3026 1 5 . 1 1 118 118 GLU CB C 118 29.453 29.453 30.466 -1.013 18712 3027 1 5 . 1 1 118 118 GLU H H 118 8.626 8.626 8.562 0.064 18712 3028 1 5 . 1 1 119 119 LEU N N 119 129.139 129.139 127.464 1.675 18712 3029 1 5 . 1 1 119 119 LEU HA H 119 4.759 4.759 4.673 0.086 18712 3030 1 5 . 1 1 119 119 LEU CB C 119 44.219 44.219 44.042 0.177 18712 3031 1 5 . 1 1 119 119 LEU H H 119 8.106 8.106 8.310 -0.204 18712 3032 1 5 . 1 1 120 120 PRO CB C 120 31.914 31.914 31.370 0.544 18712 3033 1 5 . 1 1 121 121 PRO HA H 121 4.269 4.269 4.334 -0.065 18712 3034 1 5 . 1 1 121 121 PRO CA C 121 63.906 63.906 63.630 0.276 18712 3035 1 5 . 1 1 121 121 PRO CB C 121 31.563 31.563 31.140 0.423 18712 3036 1 5 . 1 1 122 122 GLY N N 122 112.656 112.656 111.259 1.397 18712 3037 1 5 . 1 1 122 122 GLY CA C 122 45.625 45.625 44.883 0.742 18712 3038 1 5 . 1 1 122 122 GLY H H 122 8.827 8.827 8.702 0.125 18712 3039 1 5 . 1 1 123 123 VAL N N 123 119.406 119.406 118.720 0.686 18712 3040 1 5 . 1 1 123 123 VAL HA H 123 4.017 4.017 4.545 -0.528 18712 3041 1 5 . 1 1 123 123 VAL CA C 123 62.851 62.851 61.164 1.687 18712 3042 1 5 . 1 1 123 123 VAL CB C 123 32.266 32.266 34.126 -1.860 18712 3043 1 5 . 1 1 123 123 VAL H H 123 7.845 7.845 7.370 0.475 18712 3044 1 5 . 1 1 124 124 ASN N N 124 124.609 124.609 123.572 1.037 18712 3045 1 5 . 1 1 124 124 ASN HA H 124 4.877 4.877 4.907 -0.030 18712 3046 1 5 . 1 1 124 124 ASN CA C 124 54.765 54.765 53.680 1.085 18712 3047 1 5 . 1 1 124 124 ASN CB C 124 40.000 40.000 40.614 -0.614 18712 3048 1 5 . 1 1 124 124 ASN H H 124 9.206 9.206 9.072 0.134 18712 3049 1 5 . 1 1 125 125 GLN N N 125 117.959 117.959 114.862 3.097 18712 3050 1 5 . 1 1 125 125 GLN HA H 125 5.234 5.234 4.596 0.638 18712 3051 1 5 . 1 1 125 125 GLN CA C 125 56.172 56.172 55.134 1.038 18712 3052 1 5 . 1 1 125 125 GLN CB C 125 33.672 33.672 33.395 0.277 18712 3053 1 5 . 1 1 125 125 GLN H H 125 7.756 7.756 7.578 0.178 18712 3054 1 5 . 1 1 126 126 LEU N N 126 125.559 125.559 122.267 3.292 18712 3055 1 5 . 1 1 126 126 LEU HA H 126 5.261 5.261 4.947 0.314 18712 3056 1 5 . 1 1 126 126 LEU CA C 126 54.765 54.765 54.394 0.371 18712 3057 1 5 . 1 1 126 126 LEU CB C 126 47.734 47.734 46.210 1.524 18712 3058 1 5 . 1 1 126 126 LEU H H 126 8.866 8.866 8.177 0.689 18712 3059 1 5 . 1 1 127 127 VAL N N 127 126.578 126.578 123.941 2.637 18712 3060 1 5 . 1 1 127 127 VAL HA H 127 5.127 5.127 4.569 0.558 18712 3061 1 5 . 1 1 127 127 VAL CA C 127 60.390 60.390 60.966 -0.576 18712 3062 1 5 . 1 1 127 127 VAL CB C 127 35.078 35.078 35.793 -0.715 18712 3063 1 5 . 1 1 127 127 VAL H H 127 9.367 9.367 8.989 0.378 18712 3064 1 5 . 1 1 128 128 ARG N N 128 126.578 126.578 126.168 0.410 18712 3065 1 5 . 1 1 128 128 ARG HA H 128 5.259 5.259 5.125 0.134 18712 3066 1 5 . 1 1 128 128 ARG CA C 128 54.765 54.765 54.632 0.133 18712 3067 1 5 . 1 1 128 128 ARG CB C 128 33.672 33.672 33.570 0.102 18712 3068 1 5 . 1 1 128 128 ARG H H 128 9.502 9.502 9.034 0.468 18712 3069 1 5 . 1 1 129 129 VAL N N 129 123.977 123.977 123.509 0.468 18712 3070 1 5 . 1 1 129 129 VAL HA H 129 4.489 4.489 4.245 0.244 18712 3071 1 5 . 1 1 129 129 VAL CA C 129 61.093 61.093 62.151 -1.058 18712 3072 1 5 . 1 1 129 129 VAL CB C 129 35.078 35.078 33.434 1.644 18712 3073 1 5 . 1 1 129 129 VAL H H 129 9.051 9.051 8.191 0.860 18712 3074 1 5 . 1 1 130 130 TYR N N 130 124.673 124.673 125.287 -0.614 18712 3075 1 5 . 1 1 130 130 TYR HA H 130 5.419 5.419 5.037 0.382 18712 3076 1 5 . 1 1 130 130 TYR CA C 130 56.172 56.172 56.585 -0.413 18712 3077 1 5 . 1 1 130 130 TYR CB C 130 39.297 39.297 40.510 -1.213 18712 3078 1 5 . 1 1 130 130 TYR H H 130 8.650 8.650 8.872 -0.222 18712 3079 1 5 . 1 1 131 131 ILE N N 131 125.227 125.227 123.992 1.235 18712 3080 1 5 . 1 1 131 131 ILE HA H 131 4.869 4.869 4.639 0.230 18712 3081 1 5 . 1 1 131 131 ILE CB C 131 40.000 40.000 41.387 -1.387 18712 3082 1 5 . 1 1 131 131 ILE H H 131 9.509 9.509 8.179 1.330 18712 3083 1 5 . 1 1 132 132 VAL N N 132 126.859 126.859 124.290 2.569 18712 3084 1 5 . 1 1 132 132 VAL HA H 132 4.729 4.729 5.166 -0.437 18712 3085 1 5 . 1 1 132 132 VAL CA C 132 61.093 61.093 59.545 1.548 18712 3086 1 5 . 1 1 132 132 VAL CB C 132 33.672 33.672 34.142 -0.470 18712 3087 1 5 . 1 1 132 132 VAL H H 132 9.606 9.606 8.081 1.525 18712 3088 1 5 . 1 1 133 133 GLN N N 133 128.406 128.406 124.761 3.645 18712 3089 1 5 . 1 1 133 133 GLN HA H 133 4.751 4.751 4.493 0.258 18712 3090 1 5 . 1 1 133 133 GLN CA C 133 54.765 54.765 55.008 -0.243 18712 3091 1 5 . 1 1 133 133 GLN CB C 133 31.563 31.563 29.146 2.417 18712 3092 1 5 . 1 1 133 133 GLN H H 133 9.153 9.153 8.178 0.975 18712 3093 1 5 . 1 1 134 134 LYS N N 134 122.929 122.929 125.295 -2.366 18712 3094 1 5 . 1 1 134 134 LYS HA H 134 4.725 4.725 4.371 0.354 18712 3095 1 5 . 1 1 134 134 LYS CA C 134 56.172 56.172 55.395 0.777 18712 3096 1 5 . 1 1 134 134 LYS CB C 134 33.320 33.320 33.629 -0.309 18712 3097 1 5 . 1 1 134 134 LYS H H 134 8.561 8.561 8.553 0.008 18712 3098 1 5 . 1 1 135 135 ARG N N 135 123.484 123.484 125.070 -1.586 18712 3099 1 5 . 1 1 135 135 ARG HA H 135 4.503 4.503 4.197 0.306 18712 3100 1 5 . 1 1 135 135 ARG CA C 135 55.468 55.468 56.504 -1.036 18712 3101 1 5 . 1 1 135 135 ARG CB C 135 32.266 32.266 30.947 1.319 18712 3102 1 5 . 1 1 135 135 ARG H H 135 8.596 8.596 8.366 0.230 18712 3103 1 5 . 1 1 136 136 LYS N N 136 123.906 123.906 119.382 4.524 18712 3104 1 5 . 1 1 136 136 LYS HA H 136 4.467 4.467 4.521 -0.054 18712 3105 1 5 . 1 1 136 136 LYS CA C 136 56.172 56.172 55.111 1.061 18712 3106 1 5 . 1 1 136 136 LYS CB C 136 32.969 32.969 33.617 -0.648 18712 3107 1 5 . 1 1 136 136 LYS H H 136 8.608 8.608 8.193 0.415 18712 3108 1 5 . 1 1 137 137 ILE N N 137 123.571 123.571 118.335 5.236 18712 3109 1 5 . 1 1 137 137 ILE HA H 137 4.184 4.184 4.046 0.138 18712 3110 1 5 . 1 1 137 137 ILE CA C 137 61.093 61.093 61.964 -0.871 18712 3111 1 5 . 1 1 137 137 ILE CB C 137 38.594 38.594 38.174 0.420 18712 3112 1 5 . 1 1 137 137 ILE H H 137 8.353 8.353 8.289 0.064 18712 3113 1 5 . 1 1 138 138 SER N N 138 119.547 119.547 120.404 -0.857 18712 3114 1 5 . 1 1 138 138 SER HA H 138 4.503 4.503 4.357 0.146 18712 3115 1 5 . 1 1 138 138 SER CA C 138 58.281 58.281 59.160 -0.879 18712 3116 1 5 . 1 1 138 138 SER CB C 138 63.906 63.906 63.633 0.273 18712 3117 1 5 . 1 1 138 138 SER H H 138 8.410 8.410 8.338 0.073 18712 3118 1 5 . 1 1 139 139 GLU N N 139 123.281 123.281 127.152 -3.871 18712 3119 1 5 . 1 1 139 139 GLU HA H 139 4.307 4.307 4.306 0.001 18712 3120 1 5 . 1 1 139 139 GLU CA C 139 56.875 56.875 57.064 -0.189 18712 3121 1 5 . 1 1 139 139 GLU CB C 139 30.156 30.156 29.779 0.377 18712 3122 1 5 . 1 1 139 139 GLU H H 139 8.489 8.489 8.830 -0.341 18712 3123 1 5 . 1 1 140 140 GLY N N 140 109.792 109.792 108.809 0.983 18712 3124 1 5 . 1 1 140 140 GLY CA C 140 45.625 45.625 44.713 0.912 18712 3125 1 5 . 1 1 140 140 GLY H H 140 8.418 8.418 8.233 0.185 18712 3126 1 6 . 1 1 4 4 VAL N N 4 119.125 119.125 119.763 -0.638 18712 3127 1 6 . 1 1 4 4 VAL HA H 4 4.070 4.070 4.106 -0.036 18712 3128 1 6 . 1 1 4 4 VAL CA C 4 62.500 62.500 61.110 1.390 18712 3129 1 6 . 1 1 4 4 VAL CB C 4 32.969 32.969 33.369 -0.400 18712 3130 1 6 . 1 1 4 4 VAL H H 4 7.998 7.998 8.176 -0.178 18712 3131 1 6 . 1 1 5 5 TYR N N 5 122.640 122.640 124.758 -2.118 18712 3132 1 6 . 1 1 5 5 TYR HA H 5 4.674 4.674 4.782 -0.108 18712 3133 1 6 . 1 1 5 5 TYR CA C 5 58.281 58.281 57.352 0.929 18712 3134 1 6 . 1 1 5 5 TYR CB C 5 38.594 38.594 38.549 0.045 18712 3135 1 6 . 1 1 5 5 TYR H H 5 8.305 8.305 8.421 -0.116 18712 3136 1 6 . 1 1 6 6 THR N N 6 114.861 114.861 116.149 -1.288 18712 3137 1 6 . 1 1 6 6 THR HA H 6 4.548 4.548 4.746 -0.198 18712 3138 1 6 . 1 1 6 6 THR CA C 6 61.796 61.796 60.256 1.540 18712 3139 1 6 . 1 1 6 6 THR CB C 6 70.234 70.234 70.481 -0.247 18712 3140 1 6 . 1 1 6 6 THR H H 6 8.003 8.003 8.270 -0.267 18712 3141 1 6 . 1 1 7 7 SER N N 7 118.140 118.140 115.148 2.992 18712 3142 1 6 . 1 1 7 7 SER HA H 7 4.600 4.600 4.375 0.225 18712 3143 1 6 . 1 1 7 7 SER CA C 7 57.578 57.578 58.625 -1.047 18712 3144 1 6 . 1 1 7 7 SER CB C 7 64.609 64.609 63.322 1.286 18712 3145 1 6 . 1 1 7 7 SER H H 7 8.487 8.487 8.187 0.300 18712 3146 1 6 . 1 1 8 8 ILE N N 8 121.375 121.375 121.163 0.212 18712 3147 1 6 . 1 1 8 8 ILE HA H 8 4.627 4.627 4.177 0.450 18712 3148 1 6 . 1 1 8 8 ILE CA C 8 60.390 60.390 61.336 -0.946 18712 3149 1 6 . 1 1 8 8 ILE CB C 8 40.000 40.000 38.041 1.959 18712 3150 1 6 . 1 1 8 8 ILE H H 8 8.139 8.139 8.202 -0.063 18712 3151 1 6 . 1 1 9 9 HIS N N 9 125.734 125.734 125.916 -0.182 18712 3152 1 6 . 1 1 9 9 HIS HA H 9 4.768 4.768 4.807 -0.039 18712 3153 1 6 . 1 1 9 9 HIS CB C 9 32.617 32.617 33.831 -1.214 18712 3154 1 6 . 1 1 9 9 HIS H H 9 8.743 8.743 8.429 0.314 18712 3155 1 6 . 1 1 10 10 ILE N N 10 125.875 125.875 121.289 4.586 18712 3156 1 6 . 1 1 10 10 ILE HA H 10 4.806 4.806 4.935 -0.129 18712 3157 1 6 . 1 1 10 10 ILE CB C 10 39.297 39.297 41.360 -2.063 18712 3158 1 6 . 1 1 10 10 ILE H H 10 8.035 8.035 8.679 -0.644 18712 3159 1 6 . 1 1 11 11 GLU N N 11 129.438 129.438 126.257 3.181 18712 3160 1 6 . 1 1 11 11 GLU HA H 11 4.472 4.472 4.452 0.020 18712 3161 1 6 . 1 1 11 11 GLU CA C 11 54.062 54.062 55.341 -1.279 18712 3162 1 6 . 1 1 11 11 GLU CB C 11 32.617 32.617 31.576 1.041 18712 3163 1 6 . 1 1 11 11 GLU H H 11 8.934 8.934 8.965 -0.031 18712 3164 1 6 . 1 1 12 12 GLU N N 12 123.983 123.983 118.348 5.635 18712 3165 1 6 . 1 1 12 12 GLU HA H 12 4.752 4.752 4.672 0.080 18712 3166 1 6 . 1 1 12 12 GLU CA C 12 54.062 54.062 54.952 -0.890 18712 3167 1 6 . 1 1 12 12 GLU CB C 12 32.617 32.617 30.767 1.851 18712 3168 1 6 . 1 1 12 12 GLU H H 12 8.192 8.192 8.263 -0.071 18712 3169 1 6 . 1 1 13 13 TYR N N 13 122.826 122.826 124.178 -1.352 18712 3170 1 6 . 1 1 13 13 TYR HA H 13 4.741 4.741 4.765 -0.024 18712 3171 1 6 . 1 1 13 13 TYR CB C 13 42.812 42.812 41.342 1.470 18712 3172 1 6 . 1 1 13 13 TYR H H 13 8.926 8.926 7.949 0.977 18712 3173 1 6 . 1 1 14 14 GLU N N 14 119.329 119.329 123.540 -4.211 18712 3174 1 6 . 1 1 14 14 GLU HA H 14 5.647 5.647 4.676 0.971 18712 3175 1 6 . 1 1 14 14 GLU CA C 14 54.765 54.765 55.375 -0.610 18712 3176 1 6 . 1 1 14 14 GLU CB C 14 34.375 34.375 32.697 1.678 18712 3177 1 6 . 1 1 14 14 GLU H H 14 8.716 8.716 8.626 0.090 18712 3178 1 6 . 1 1 15 15 SER N N 15 116.172 116.172 117.972 -1.800 18712 3179 1 6 . 1 1 15 15 SER HA H 15 4.616 4.616 4.715 -0.099 18712 3180 1 6 . 1 1 15 15 SER CA C 15 57.578 57.578 58.127 -0.549 18712 3181 1 6 . 1 1 15 15 SER CB C 15 66.015 66.015 64.915 1.100 18712 3182 1 6 . 1 1 15 15 SER H H 15 8.922 8.922 8.335 0.587 18712 3183 1 6 . 1 1 16 16 GLU N N 16 125.172 125.172 125.576 -0.404 18712 3184 1 6 . 1 1 16 16 GLU HA H 16 5.082 5.082 4.919 0.163 18712 3185 1 6 . 1 1 16 16 GLU CA C 16 54.062 54.062 53.882 0.180 18712 3186 1 6 . 1 1 16 16 GLU CB C 16 32.969 32.969 33.360 -0.391 18712 3187 1 6 . 1 1 16 16 GLU H H 16 8.587 8.587 8.224 0.363 18712 3188 1 6 . 1 1 17 17 ALA N N 17 124.890 124.890 127.685 -2.795 18712 3189 1 6 . 1 1 17 17 ALA HA H 17 4.969 4.969 4.388 0.581 18712 3190 1 6 . 1 1 17 17 ALA CA C 17 50.547 50.547 51.863 -1.316 18712 3191 1 6 . 1 1 17 17 ALA CB C 17 19.610 19.610 19.247 0.363 18712 3192 1 6 . 1 1 17 17 ALA H H 17 9.000 9.000 8.336 0.664 18712 3193 1 6 . 1 1 18 18 ARG N N 18 125.376 125.376 124.280 1.096 18712 3194 1 6 . 1 1 18 18 ARG HA H 18 5.175 5.175 4.938 0.237 18712 3195 1 6 . 1 1 18 18 ARG CA C 18 54.765 54.765 55.296 -0.531 18712 3196 1 6 . 1 1 18 18 ARG CB C 18 34.375 34.375 31.563 2.812 18712 3197 1 6 . 1 1 18 18 ARG H H 18 9.624 9.624 7.952 1.671 18712 3198 1 6 . 1 1 19 19 ASP N N 19 119.828 119.828 125.105 -5.277 18712 3199 1 6 . 1 1 19 19 ASP HA H 19 4.685 4.685 4.583 0.102 18712 3200 1 6 . 1 1 19 19 ASP CA C 19 55.117 55.117 55.257 -0.140 18712 3201 1 6 . 1 1 19 19 ASP CB C 19 41.406 41.406 41.252 0.154 18712 3202 1 6 . 1 1 19 19 ASP H H 19 8.420 8.420 8.526 -0.106 18712 3203 1 6 . 1 1 20 20 THR N N 20 112.948 112.948 115.266 -2.318 18712 3204 1 6 . 1 1 20 20 THR HA H 20 4.979 4.979 4.369 0.610 18712 3205 1 6 . 1 1 20 20 THR CA C 20 60.390 60.390 60.809 -0.418 18712 3206 1 6 . 1 1 20 20 THR CB C 20 73.046 73.046 70.294 2.752 18712 3207 1 6 . 1 1 20 20 THR H H 20 7.602 7.602 8.168 -0.566 18712 3208 1 6 . 1 1 21 21 LYS HA H 21 4.146 4.146 4.410 -0.264 18712 3209 1 6 . 1 1 21 21 LYS CA C 21 58.984 58.984 57.468 1.516 18712 3210 1 6 . 1 1 21 21 LYS CB C 21 32.266 32.266 31.593 0.673 18712 3211 1 6 . 1 1 22 22 LEU N N 22 117.346 117.346 120.028 -2.682 18712 3212 1 6 . 1 1 22 22 LEU HA H 22 4.532 4.532 4.388 0.144 18712 3213 1 6 . 1 1 22 22 LEU CA C 22 54.062 54.062 54.678 -0.616 18712 3214 1 6 . 1 1 22 22 LEU CB C 22 42.812 42.812 42.872 -0.060 18712 3215 1 6 . 1 1 22 22 LEU H H 22 7.848 7.848 7.356 0.492 18712 3216 1 6 . 1 1 23 23 GLY N N 23 108.437 108.437 108.816 -0.379 18712 3217 1 6 . 1 1 23 23 GLY CA C 23 43.516 43.516 44.204 -0.688 18712 3218 1 6 . 1 1 23 23 GLY H H 23 7.407 7.407 7.448 -0.041 18712 3219 1 6 . 1 1 24 24 PRO HA H 24 4.894 4.894 4.604 0.290 18712 3220 1 6 . 1 1 24 24 PRO CA C 24 63.906 63.906 62.565 1.341 18712 3221 1 6 . 1 1 24 24 PRO CB C 24 31.563 31.563 32.856 -1.293 18712 3222 1 6 . 1 1 25 25 GLU N N 25 118.281 118.281 118.484 -0.203 18712 3223 1 6 . 1 1 25 25 GLU HA H 25 4.621 4.621 4.414 0.207 18712 3224 1 6 . 1 1 25 25 GLU CA C 25 56.523 56.523 56.397 0.126 18712 3225 1 6 . 1 1 25 25 GLU CB C 25 32.266 32.266 30.805 1.461 18712 3226 1 6 . 1 1 25 25 GLU H H 25 8.341 8.341 8.895 -0.554 18712 3227 1 6 . 1 1 26 26 GLU N N 26 119.406 119.406 120.117 -0.711 18712 3228 1 6 . 1 1 26 26 GLU HA H 26 4.710 4.710 4.471 0.239 18712 3229 1 6 . 1 1 26 26 GLU CA C 26 54.765 54.765 55.769 -1.004 18712 3230 1 6 . 1 1 26 26 GLU CB C 26 33.672 33.672 30.860 2.812 18712 3231 1 6 . 1 1 26 26 GLU H H 26 8.336 8.336 7.816 0.520 18712 3232 1 6 . 1 1 27 27 ILE N N 27 127.472 127.472 122.115 5.357 18712 3233 1 6 . 1 1 27 27 ILE HA H 27 5.009 5.009 4.235 0.774 18712 3234 1 6 . 1 1 27 27 ILE CA C 27 60.390 60.390 61.178 -0.788 18712 3235 1 6 . 1 1 27 27 ILE CB C 27 37.187 37.187 38.951 -1.764 18712 3236 1 6 . 1 1 27 27 ILE H H 27 8.405 8.405 8.397 0.008 18712 3237 1 6 . 1 1 28 28 THR N N 28 124.387 124.387 120.223 4.164 18712 3238 1 6 . 1 1 28 28 THR HA H 28 4.492 4.492 4.592 -0.100 18712 3239 1 6 . 1 1 28 28 THR CA C 28 59.687 59.687 60.873 -1.186 18712 3240 1 6 . 1 1 28 28 THR CB C 28 68.125 68.125 70.617 -2.492 18712 3241 1 6 . 1 1 28 28 THR H H 28 8.191 8.191 8.405 -0.214 18712 3242 1 6 . 1 1 29 29 ARG N N 29 120.568 120.568 120.961 -0.393 18712 3243 1 6 . 1 1 29 29 ARG HA H 29 4.202 4.202 4.633 -0.431 18712 3244 1 6 . 1 1 29 29 ARG CA C 29 55.468 55.468 55.148 0.320 18712 3245 1 6 . 1 1 29 29 ARG CB C 29 32.266 32.266 30.786 1.480 18712 3246 1 6 . 1 1 29 29 ARG H H 29 7.995 7.995 8.461 -0.466 18712 3247 1 6 . 1 1 30 30 ASP N N 30 123.906 123.906 123.635 0.271 18712 3248 1 6 . 1 1 30 30 ASP HA H 30 4.619 4.619 4.672 -0.053 18712 3249 1 6 . 1 1 30 30 ASP CA C 30 53.359 53.359 53.691 -0.332 18712 3250 1 6 . 1 1 30 30 ASP CB C 30 38.594 38.594 42.507 -3.913 18712 3251 1 6 . 1 1 30 30 ASP H H 30 8.784 8.784 8.599 0.185 18712 3252 1 6 . 1 1 31 31 ILE N N 31 123.422 123.422 122.871 0.551 18712 3253 1 6 . 1 1 31 31 ILE HA H 31 4.063 4.063 4.479 -0.416 18712 3254 1 6 . 1 1 31 31 ILE CA C 31 57.578 57.578 56.735 0.843 18712 3255 1 6 . 1 1 31 31 ILE CB C 31 40.703 40.703 36.471 4.232 18712 3256 1 6 . 1 1 31 31 ILE H H 31 7.404 7.404 8.090 -0.686 18712 3257 1 6 . 1 1 32 32 PRO HA H 32 4.273 4.273 4.547 -0.274 18712 3258 1 6 . 1 1 32 32 PRO CA C 32 63.554 63.554 62.968 0.586 18712 3259 1 6 . 1 1 32 32 PRO CB C 32 32.266 32.266 32.442 -0.176 18712 3260 1 6 . 1 1 33 33 ASN N N 33 114.027 114.027 113.367 0.660 18712 3261 1 6 . 1 1 33 33 ASN HA H 33 4.269 4.269 4.289 -0.020 18712 3262 1 6 . 1 1 33 33 ASN CA C 33 55.117 55.117 54.187 0.930 18712 3263 1 6 . 1 1 33 33 ASN CB C 33 37.891 37.891 37.690 0.201 18712 3264 1 6 . 1 1 33 33 ASN H H 33 8.880 8.880 8.704 0.176 18712 3265 1 6 . 1 1 34 34 VAL N N 34 117.111 117.111 119.278 -2.167 18712 3266 1 6 . 1 1 34 34 VAL HA H 34 4.249 4.249 4.261 -0.012 18712 3267 1 6 . 1 1 34 34 VAL CA C 34 62.148 62.148 61.611 0.537 18712 3268 1 6 . 1 1 34 34 VAL CB C 34 33.672 33.672 33.597 0.075 18712 3269 1 6 . 1 1 34 34 VAL H H 34 7.328 7.328 7.487 -0.159 18712 3270 1 6 . 1 1 35 35 GLY N N 35 113.600 113.600 112.516 1.084 18712 3271 1 6 . 1 1 35 35 GLY CA C 35 44.219 44.219 44.451 -0.232 18712 3272 1 6 . 1 1 35 35 GLY H H 35 8.653 8.653 8.293 0.360 18712 3273 1 6 . 1 1 36 36 GLU N N 36 118.562 118.562 120.010 -1.448 18712 3274 1 6 . 1 1 36 36 GLU HA H 36 3.888 3.888 4.003 -0.115 18712 3275 1 6 . 1 1 36 36 GLU CA C 36 59.687 59.687 58.432 1.254 18712 3276 1 6 . 1 1 36 36 GLU CB C 36 29.453 29.453 29.707 -0.254 18712 3277 1 6 . 1 1 36 36 GLU H H 36 8.457 8.457 8.746 -0.289 18712 3278 1 6 . 1 1 37 37 ASP N N 37 118.140 118.140 119.307 -1.167 18712 3279 1 6 . 1 1 37 37 ASP HA H 37 4.335 4.335 4.390 -0.055 18712 3280 1 6 . 1 1 37 37 ASP CA C 37 56.875 56.875 56.487 0.388 18712 3281 1 6 . 1 1 37 37 ASP CB C 37 40.000 40.000 39.701 0.299 18712 3282 1 6 . 1 1 37 37 ASP H H 37 8.728 8.728 8.808 -0.080 18712 3283 1 6 . 1 1 38 38 ALA N N 38 120.752 120.752 120.960 -0.208 18712 3284 1 6 . 1 1 38 38 ALA HA H 38 4.288 4.288 4.115 0.173 18712 3285 1 6 . 1 1 38 38 ALA CA C 38 53.359 53.359 54.038 -0.679 18712 3286 1 6 . 1 1 38 38 ALA CB C 38 18.555 18.555 19.108 -0.553 18712 3287 1 6 . 1 1 38 38 ALA H H 38 7.642 7.642 7.618 0.024 18712 3288 1 6 . 1 1 39 39 LEU N N 39 117.015 117.015 113.181 3.834 18712 3289 1 6 . 1 1 39 39 LEU HA H 39 4.295 4.295 4.766 -0.471 18712 3290 1 6 . 1 1 39 39 LEU CA C 39 54.765 54.765 54.102 0.662 18712 3291 1 6 . 1 1 39 39 LEU CB C 39 43.164 43.164 41.516 1.648 18712 3292 1 6 . 1 1 39 39 LEU H H 39 7.446 7.446 7.498 -0.052 18712 3293 1 6 . 1 1 40 40 ARG N N 40 118.017 118.017 121.051 -3.034 18712 3294 1 6 . 1 1 40 40 ARG HA H 40 4.064 4.064 4.039 0.025 18712 3295 1 6 . 1 1 40 40 ARG CA C 40 59.687 59.687 58.944 0.743 18712 3296 1 6 . 1 1 40 40 ARG CB C 40 30.508 30.508 29.821 0.687 18712 3297 1 6 . 1 1 40 40 ARG H H 40 7.079 7.079 7.612 -0.533 18712 3298 1 6 . 1 1 41 41 ASN N N 41 115.439 115.439 116.433 -0.994 18712 3299 1 6 . 1 1 41 41 ASN HA H 41 4.996 4.996 4.785 0.211 18712 3300 1 6 . 1 1 41 41 ASN CA C 41 53.359 53.359 53.552 -0.193 18712 3301 1 6 . 1 1 41 41 ASN CB C 41 39.297 39.297 38.980 0.317 18712 3302 1 6 . 1 1 41 41 ASN H H 41 9.057 9.057 8.372 0.685 18712 3303 1 6 . 1 1 42 42 LEU N N 42 118.703 118.703 121.113 -2.410 18712 3304 1 6 . 1 1 42 42 LEU HA H 42 4.403 4.403 4.077 0.326 18712 3305 1 6 . 1 1 42 42 LEU CA C 42 54.062 54.062 56.400 -2.338 18712 3306 1 6 . 1 1 42 42 LEU CB C 42 42.812 42.812 42.830 -0.018 18712 3307 1 6 . 1 1 42 42 LEU H H 42 7.719 7.719 7.734 -0.015 18712 3308 1 6 . 1 1 43 43 ASP N N 43 122.791 122.791 124.159 -1.368 18712 3309 1 6 . 1 1 43 43 ASP HA H 43 4.481 4.481 4.765 -0.284 18712 3310 1 6 . 1 1 43 43 ASP CA C 43 52.656 52.656 52.012 0.644 18712 3311 1 6 . 1 1 43 43 ASP CB C 43 39.648 39.648 41.690 -2.042 18712 3312 1 6 . 1 1 43 43 ASP H H 43 8.933 8.933 8.270 0.663 18712 3313 1 6 . 1 1 44 44 ASP N N 44 114.917 114.917 118.241 -3.324 18712 3314 1 6 . 1 1 44 44 ASP HA H 44 4.278 4.278 4.458 -0.180 18712 3315 1 6 . 1 1 44 44 ASP CA C 44 56.875 56.875 57.067 -0.192 18712 3316 1 6 . 1 1 44 44 ASP CB C 44 40.000 40.000 40.665 -0.665 18712 3317 1 6 . 1 1 44 44 ASP H H 44 8.281 8.281 8.727 -0.446 18712 3318 1 6 . 1 1 45 45 ARG N N 45 118.140 118.140 116.056 2.084 18712 3319 1 6 . 1 1 45 45 ARG HA H 45 4.366 4.366 4.274 0.092 18712 3320 1 6 . 1 1 45 45 ARG CA C 45 55.117 55.117 56.322 -1.205 18712 3321 1 6 . 1 1 45 45 ARG CB C 45 30.859 30.859 30.224 0.635 18712 3322 1 6 . 1 1 45 45 ARG H H 45 8.500 8.500 8.204 0.296 18712 3323 1 6 . 1 1 46 46 GLY N N 46 101.828 101.828 106.996 -5.168 18712 3324 1 6 . 1 1 46 46 GLY CA C 46 45.273 45.273 45.276 -0.003 18712 3325 1 6 . 1 1 46 46 GLY H H 46 7.680 7.680 8.021 -0.341 18712 3326 1 6 . 1 1 47 47 VAL N N 47 119.955 119.955 119.014 0.941 18712 3327 1 6 . 1 1 47 47 VAL HA H 47 4.406 4.406 4.600 -0.194 18712 3328 1 6 . 1 1 47 47 VAL CA C 47 61.796 61.796 58.928 2.868 18712 3329 1 6 . 1 1 47 47 VAL CB C 47 33.672 33.672 34.778 -1.106 18712 3330 1 6 . 1 1 47 47 VAL H H 47 8.007 8.007 8.353 -0.346 18712 3331 1 6 . 1 1 48 48 ILE N N 48 128.406 128.406 127.103 1.303 18712 3332 1 6 . 1 1 48 48 ILE HA H 48 4.202 4.202 4.064 0.138 18712 3333 1 6 . 1 1 48 48 ILE CA C 48 59.687 59.687 60.873 -1.187 18712 3334 1 6 . 1 1 48 48 ILE CB C 48 38.945 38.945 36.338 2.607 18712 3335 1 6 . 1 1 48 48 ILE H H 48 8.145 8.145 8.233 -0.088 18712 3336 1 6 . 1 1 49 49 ARG N N 49 123.765 123.765 126.715 -2.950 18712 3337 1 6 . 1 1 49 49 ARG HA H 49 4.328 4.328 4.122 0.206 18712 3338 1 6 . 1 1 49 49 ARG CA C 49 56.875 56.875 56.634 0.241 18712 3339 1 6 . 1 1 49 49 ARG CB C 49 31.563 31.563 31.194 0.369 18712 3340 1 6 . 1 1 49 49 ARG H H 49 7.447 7.447 7.889 -0.442 18712 3341 1 6 . 1 1 50 50 ILE N N 50 121.094 121.094 120.379 0.715 18712 3342 1 6 . 1 1 50 50 ILE HA H 50 3.414 3.414 3.838 -0.424 18712 3343 1 6 . 1 1 50 50 ILE CA C 50 64.609 64.609 61.262 3.347 18712 3344 1 6 . 1 1 50 50 ILE H H 50 8.284 8.284 8.165 0.119 18712 3345 1 6 . 1 1 51 51 GLY N N 51 115.791 115.791 113.040 2.751 18712 3346 1 6 . 1 1 51 51 GLY CA C 51 44.922 44.922 45.292 -0.370 18712 3347 1 6 . 1 1 51 51 GLY H H 51 8.679 8.679 9.034 -0.355 18712 3348 1 6 . 1 1 52 52 ALA N N 52 122.065 122.065 122.741 -0.676 18712 3349 1 6 . 1 1 52 52 ALA HA H 52 4.246 4.246 4.546 -0.300 18712 3350 1 6 . 1 1 52 52 ALA CA C 52 52.656 52.656 50.627 2.029 18712 3351 1 6 . 1 1 52 52 ALA CB C 52 18.906 18.906 20.335 -1.429 18712 3352 1 6 . 1 1 52 52 ALA H H 52 7.496 7.496 7.513 -0.017 18712 3353 1 6 . 1 1 53 53 GLU N N 53 121.468 121.468 123.878 -2.410 18712 3354 1 6 . 1 1 53 53 GLU HA H 53 4.892 4.892 4.178 0.714 18712 3355 1 6 . 1 1 53 53 GLU CB C 53 30.508 30.508 30.420 0.088 18712 3356 1 6 . 1 1 53 53 GLU H H 53 8.427 8.427 8.610 -0.182 18712 3357 1 6 . 1 1 54 54 VAL N N 54 117.437 117.437 125.664 -8.227 18712 3358 1 6 . 1 1 54 54 VAL HA H 54 4.979 4.979 4.156 0.823 18712 3359 1 6 . 1 1 54 54 VAL CA C 54 58.632 58.632 60.259 -1.627 18712 3360 1 6 . 1 1 54 54 VAL CB C 54 35.781 35.781 33.441 2.340 18712 3361 1 6 . 1 1 54 54 VAL H H 54 9.002 9.002 8.267 0.735 18712 3362 1 6 . 1 1 55 55 LYS N N 55 123.906 123.906 122.307 1.599 18712 3363 1 6 . 1 1 55 55 LYS HA H 55 4.698 4.698 4.488 0.210 18712 3364 1 6 . 1 1 55 55 LYS CA C 55 53.359 53.359 55.155 -1.796 18712 3365 1 6 . 1 1 55 55 LYS CB C 55 35.781 35.781 34.447 1.334 18712 3366 1 6 . 1 1 55 55 LYS H H 55 9.244 9.244 7.838 1.406 18712 3367 1 6 . 1 1 56 56 ASP N N 56 118.562 118.562 120.664 -2.102 18712 3368 1 6 . 1 1 56 56 ASP HA H 56 3.764 3.764 4.369 -0.605 18712 3369 1 6 . 1 1 56 56 ASP CA C 56 56.172 56.172 56.277 -0.105 18712 3370 1 6 . 1 1 56 56 ASP CB C 56 40.000 40.000 40.893 -0.893 18712 3371 1 6 . 1 1 56 56 ASP H H 56 8.176 8.176 8.499 -0.323 18712 3372 1 6 . 1 1 57 57 GLY N N 57 112.515 112.515 114.538 -2.023 18712 3373 1 6 . 1 1 57 57 GLY CA C 57 45.625 45.625 45.001 0.624 18712 3374 1 6 . 1 1 57 57 GLY H H 57 8.841 8.841 8.779 0.062 18712 3375 1 6 . 1 1 58 58 ASP N N 58 121.375 121.375 122.102 -0.727 18712 3376 1 6 . 1 1 58 58 ASP HA H 58 4.532 4.532 4.935 -0.403 18712 3377 1 6 . 1 1 58 58 ASP CA C 58 54.765 54.765 52.881 1.884 18712 3378 1 6 . 1 1 58 58 ASP CB C 58 41.055 41.055 40.435 0.620 18712 3379 1 6 . 1 1 58 58 ASP H H 58 8.209 8.209 7.729 0.480 18712 3380 1 6 . 1 1 59 59 LEU N N 59 119.828 119.828 122.815 -2.987 18712 3381 1 6 . 1 1 59 59 LEU HA H 59 3.976 3.976 4.155 -0.179 18712 3382 1 6 . 1 1 59 59 LEU CA C 59 56.875 56.875 55.436 1.439 18712 3383 1 6 . 1 1 59 59 LEU CB C 59 44.219 44.219 42.583 1.637 18712 3384 1 6 . 1 1 59 59 LEU H H 59 8.570 8.570 8.180 0.390 18712 3385 1 6 . 1 1 60 60 LEU N N 60 116.594 116.594 112.588 4.006 18712 3386 1 6 . 1 1 60 60 LEU HA H 60 4.518 4.518 3.967 0.551 18712 3387 1 6 . 1 1 60 60 LEU CB C 60 44.922 44.922 40.235 4.687 18712 3388 1 6 . 1 1 60 60 LEU H H 60 8.816 8.816 7.981 0.835 18712 3389 1 6 . 1 1 61 61 VAL N N 61 115.656 115.656 116.739 -1.083 18712 3390 1 6 . 1 1 61 61 VAL HA H 61 4.618 4.618 4.321 0.297 18712 3391 1 6 . 1 1 61 61 VAL CA C 61 61.093 61.093 61.365 -0.272 18712 3392 1 6 . 1 1 61 61 VAL CB C 61 36.484 36.484 34.963 1.521 18712 3393 1 6 . 1 1 61 61 VAL H H 61 7.322 7.322 7.346 -0.024 18712 3394 1 6 . 1 1 62 62 GLY N N 62 117.191 117.191 114.951 2.240 18712 3395 1 6 . 1 1 62 62 GLY CA C 62 45.625 45.625 44.562 1.063 18712 3396 1 6 . 1 1 62 62 GLY H H 62 9.563 9.563 8.222 1.341 18712 3397 1 6 . 1 1 63 63 LYS N N 63 127.584 127.584 126.988 0.596 18712 3398 1 6 . 1 1 63 63 LYS HA H 63 5.328 5.328 4.550 0.778 18712 3399 1 6 . 1 1 63 63 LYS CA C 63 56.172 56.172 55.664 0.508 18712 3400 1 6 . 1 1 63 63 LYS CB C 63 35.078 35.078 34.543 0.535 18712 3401 1 6 . 1 1 63 63 LYS H H 63 8.712 8.712 8.018 0.694 18712 3402 1 6 . 1 1 64 64 VAL N N 64 114.383 114.383 122.331 -7.948 18712 3403 1 6 . 1 1 64 64 VAL HA H 64 5.523 5.523 5.065 0.458 18712 3404 1 6 . 1 1 64 64 VAL CA C 64 57.578 57.578 60.208 -2.630 18712 3405 1 6 . 1 1 64 64 VAL CB C 64 35.781 35.781 34.371 1.410 18712 3406 1 6 . 1 1 64 64 VAL H H 64 8.481 8.481 7.936 0.545 18712 3407 1 6 . 1 1 65 65 THR N N 65 118.431 118.431 116.589 1.842 18712 3408 1 6 . 1 1 65 65 THR HA H 65 4.602 4.602 4.953 -0.351 18712 3409 1 6 . 1 1 65 65 THR CA C 65 59.687 59.687 58.714 0.973 18712 3410 1 6 . 1 1 65 65 THR CB C 65 72.343 72.343 69.381 2.962 18712 3411 1 6 . 1 1 65 65 THR H H 65 8.637 8.637 8.739 -0.102 18712 3412 1 6 . 1 1 66 66 PRO HA H 66 4.557 4.557 4.435 0.122 18712 3413 1 6 . 1 1 66 66 PRO CA C 66 63.906 63.906 62.776 1.130 18712 3414 1 6 . 1 1 66 66 PRO CB C 66 32.969 32.969 32.519 0.450 18712 3415 1 6 . 1 1 67 67 LYS N N 67 122.359 122.359 119.326 3.033 18712 3416 1 6 . 1 1 67 67 LYS HA H 67 4.391 4.391 4.636 -0.245 18712 3417 1 6 . 1 1 67 67 LYS CA C 67 56.172 56.172 54.917 1.254 18712 3418 1 6 . 1 1 67 67 LYS CB C 67 35.078 35.078 36.547 -1.469 18712 3419 1 6 . 1 1 67 67 LYS H H 67 8.371 8.371 7.789 0.582 18712 3420 1 6 . 1 1 68 68 GLY N N 68 109.563 109.563 109.765 -0.202 18712 3421 1 6 . 1 1 68 68 GLY CA C 68 44.922 44.922 44.603 0.319 18712 3422 1 6 . 1 1 68 68 GLY H H 68 8.583 8.583 8.376 0.207 18712 3423 1 6 . 1 1 69 69 VAL N N 69 118.378 118.378 115.493 2.885 18712 3424 1 6 . 1 1 69 69 VAL HA H 69 4.032 4.032 4.150 -0.118 18712 3425 1 6 . 1 1 69 69 VAL CA C 69 63.203 63.203 64.300 -1.097 18712 3426 1 6 . 1 1 69 69 VAL CB C 69 32.266 32.266 32.346 -0.080 18712 3427 1 6 . 1 1 69 69 VAL H H 69 8.235 8.235 8.164 0.071 18712 3428 1 6 . 1 1 70 70 THR N N 70 114.484 114.484 116.161 -1.677 18712 3429 1 6 . 1 1 70 70 THR HA H 70 4.281 4.281 4.205 0.076 18712 3430 1 6 . 1 1 70 70 THR CA C 70 62.500 62.500 65.057 -2.557 18712 3431 1 6 . 1 1 70 70 THR CB C 70 69.531 69.531 68.522 1.010 18712 3432 1 6 . 1 1 70 70 THR H H 70 8.085 8.085 8.034 0.051 18712 3433 1 6 . 1 1 71 71 GLU N N 71 121.656 121.656 121.612 0.044 18712 3434 1 6 . 1 1 71 71 GLU HA H 71 4.325 4.325 4.543 -0.218 18712 3435 1 6 . 1 1 71 71 GLU CA C 71 56.172 56.172 55.367 0.805 18712 3436 1 6 . 1 1 71 71 GLU CB C 71 30.859 30.859 28.330 2.529 18712 3437 1 6 . 1 1 71 71 GLU H H 71 8.175 8.175 8.355 -0.180 18712 3438 1 6 . 1 1 72 72 LEU N N 72 122.219 122.219 120.460 1.759 18712 3439 1 6 . 1 1 72 72 LEU HA H 72 4.534 4.534 4.461 0.073 18712 3440 1 6 . 1 1 72 72 LEU CA C 72 54.765 54.765 54.675 0.090 18712 3441 1 6 . 1 1 72 72 LEU CB C 72 42.812 42.812 42.996 -0.184 18712 3442 1 6 . 1 1 72 72 LEU H H 72 7.770 7.770 7.362 0.408 18712 3443 1 6 . 1 1 73 73 THR N N 73 114.407 114.407 113.417 0.990 18712 3444 1 6 . 1 1 73 73 THR HA H 73 4.405 4.405 4.490 -0.085 18712 3445 1 6 . 1 1 73 73 THR CA C 73 61.093 61.093 60.797 0.295 18712 3446 1 6 . 1 1 73 73 THR CB C 73 70.937 70.937 70.463 0.473 18712 3447 1 6 . 1 1 73 73 THR H H 73 8.869 8.869 8.057 0.812 18712 3448 1 6 . 1 1 74 74 ALA N N 74 123.782 123.782 123.347 0.435 18712 3449 1 6 . 1 1 74 74 ALA HA H 74 4.026 4.026 4.169 -0.143 18712 3450 1 6 . 1 1 74 74 ALA CA C 74 55.468 55.468 54.676 0.792 18712 3451 1 6 . 1 1 74 74 ALA CB C 74 18.203 18.203 18.314 -0.111 18712 3452 1 6 . 1 1 74 74 ALA H H 74 8.831 8.831 8.669 0.162 18712 3453 1 6 . 1 1 75 75 GLU N N 75 117.578 117.578 117.535 0.043 18712 3454 1 6 . 1 1 75 75 GLU HA H 75 4.043 4.043 4.109 -0.066 18712 3455 1 6 . 1 1 75 75 GLU CA C 75 59.687 59.687 59.077 0.610 18712 3456 1 6 . 1 1 75 75 GLU CB C 75 29.453 29.453 29.373 0.080 18712 3457 1 6 . 1 1 75 75 GLU H H 75 8.637 8.637 8.787 -0.150 18712 3458 1 6 . 1 1 76 76 GLU N N 76 120.042 120.042 119.287 0.755 18712 3459 1 6 . 1 1 76 76 GLU HA H 76 4.010 4.010 4.166 -0.156 18712 3460 1 6 . 1 1 76 76 GLU CA C 76 58.281 58.281 58.612 -0.331 18712 3461 1 6 . 1 1 76 76 GLU CB C 76 30.859 30.859 29.704 1.155 18712 3462 1 6 . 1 1 76 76 GLU H H 76 7.847 7.847 7.500 0.347 18712 3463 1 6 . 1 1 77 77 ARG N N 77 119.687 119.687 118.121 1.566 18712 3464 1 6 . 1 1 77 77 ARG HA H 77 3.975 3.975 4.163 -0.188 18712 3465 1 6 . 1 1 77 77 ARG CA C 77 58.984 58.984 58.986 -0.002 18712 3466 1 6 . 1 1 77 77 ARG CB C 77 30.156 30.156 29.974 0.182 18712 3467 1 6 . 1 1 77 77 ARG H H 77 8.452 8.452 8.497 -0.045 18712 3468 1 6 . 1 1 78 78 LEU N N 78 120.250 120.250 116.880 3.370 18712 3469 1 6 . 1 1 78 78 LEU HA H 78 4.210 4.210 4.473 -0.263 18712 3470 1 6 . 1 1 78 78 LEU CA C 78 56.875 56.875 56.816 0.060 18712 3471 1 6 . 1 1 78 78 LEU CB C 78 42.109 42.109 42.041 0.068 18712 3472 1 6 . 1 1 78 78 LEU H H 78 7.685 7.685 7.526 0.159 18712 3473 1 6 . 1 1 79 79 LEU N N 79 119.265 119.265 122.012 -2.747 18712 3474 1 6 . 1 1 79 79 LEU HA H 79 4.208 4.208 3.906 0.302 18712 3475 1 6 . 1 1 79 79 LEU CA C 79 56.875 56.875 58.006 -1.131 18712 3476 1 6 . 1 1 79 79 LEU CB C 79 42.109 42.109 41.539 0.570 18712 3477 1 6 . 1 1 79 79 LEU H H 79 7.679 7.679 7.316 0.363 18712 3478 1 6 . 1 1 80 80 HIS N N 80 118.348 118.348 117.527 0.821 18712 3479 1 6 . 1 1 80 80 HIS HA H 80 4.422 4.422 4.283 0.139 18712 3480 1 6 . 1 1 80 80 HIS CA C 80 57.578 57.578 59.753 -2.175 18712 3481 1 6 . 1 1 80 80 HIS CB C 80 30.156 30.156 29.428 0.728 18712 3482 1 6 . 1 1 80 80 HIS H H 80 8.127 8.127 7.856 0.271 18712 3483 1 6 . 1 1 81 81 ALA N N 81 122.359 122.359 120.075 2.284 18712 3484 1 6 . 1 1 81 81 ALA HA H 81 4.204 4.204 4.218 -0.014 18712 3485 1 6 . 1 1 81 81 ALA CA C 81 54.062 54.062 53.939 0.123 18712 3486 1 6 . 1 1 81 81 ALA CB C 81 18.906 18.906 18.495 0.411 18712 3487 1 6 . 1 1 81 81 ALA H H 81 7.908 7.908 7.831 0.077 18712 3488 1 6 . 1 1 82 82 ILE N N 82 117.705 117.705 118.599 -0.894 18712 3489 1 6 . 1 1 82 82 ILE HA H 82 3.972 3.972 3.853 0.119 18712 3490 1 6 . 1 1 82 82 ILE CA C 82 62.500 62.500 63.977 -1.477 18712 3491 1 6 . 1 1 82 82 ILE CB C 82 38.594 38.594 38.196 0.398 18712 3492 1 6 . 1 1 82 82 ILE H H 82 7.780 7.780 7.522 0.258 18712 3493 1 6 . 1 1 83 83 PHE N N 83 120.528 120.528 118.320 2.208 18712 3494 1 6 . 1 1 83 83 PHE HA H 83 4.633 4.633 4.376 0.257 18712 3495 1 6 . 1 1 83 83 PHE CA C 83 58.281 58.281 59.042 -0.761 18712 3496 1 6 . 1 1 83 83 PHE CB C 83 40.000 40.000 39.632 0.368 18712 3497 1 6 . 1 1 83 83 PHE H H 83 8.227 8.227 8.070 0.157 18712 3498 1 6 . 1 1 84 84 GLY N N 84 110.328 110.328 106.463 3.865 18712 3499 1 6 . 1 1 84 84 GLY CA C 84 45.625 45.625 45.545 0.080 18712 3500 1 6 . 1 1 84 84 GLY H H 84 8.157 8.157 7.881 0.276 18712 3501 1 6 . 1 1 85 85 GLU N N 85 120.975 120.975 118.061 2.914 18712 3502 1 6 . 1 1 85 85 GLU HA H 85 4.234 4.234 4.595 -0.361 18712 3503 1 6 . 1 1 85 85 GLU CA C 85 57.226 57.226 54.594 2.632 18712 3504 1 6 . 1 1 85 85 GLU CB C 85 30.156 30.156 33.018 -2.862 18712 3505 1 6 . 1 1 85 85 GLU H H 85 8.374 8.374 8.010 0.364 18712 3506 1 6 . 1 1 86 86 LYS N N 86 121.202 121.202 121.599 -0.397 18712 3507 1 6 . 1 1 86 86 LYS HA H 86 4.291 4.291 4.733 -0.442 18712 3508 1 6 . 1 1 86 86 LYS CA C 86 56.172 56.172 55.981 0.191 18712 3509 1 6 . 1 1 86 86 LYS CB C 86 32.969 32.969 32.587 0.382 18712 3510 1 6 . 1 1 86 86 LYS H H 86 8.230 8.230 8.523 -0.293 18712 3511 1 6 . 1 1 87 87 ALA N N 87 124.596 124.596 126.625 -2.029 18712 3512 1 6 . 1 1 87 87 ALA HA H 87 4.236 4.236 4.507 -0.271 18712 3513 1 6 . 1 1 87 87 ALA CA C 87 52.656 52.656 51.191 1.465 18712 3514 1 6 . 1 1 87 87 ALA CB C 87 19.610 19.610 20.565 -0.955 18712 3515 1 6 . 1 1 87 87 ALA H H 87 8.179 8.179 8.173 0.006 18712 3516 1 6 . 1 1 88 88 ARG N N 88 120.688 120.688 121.270 -0.582 18712 3517 1 6 . 1 1 88 88 ARG HA H 88 4.344 4.344 4.438 -0.094 18712 3518 1 6 . 1 1 88 88 ARG CA C 88 56.172 56.172 55.722 0.450 18712 3519 1 6 . 1 1 88 88 ARG CB C 88 30.859 30.859 30.906 -0.047 18712 3520 1 6 . 1 1 88 88 ARG H H 88 8.274 8.274 8.384 -0.110 18712 3521 1 6 . 1 1 89 89 GLU N N 89 124.469 124.469 123.198 1.271 18712 3522 1 6 . 1 1 89 89 GLU HA H 89 4.575 4.575 4.552 0.023 18712 3523 1 6 . 1 1 89 89 GLU CA C 89 55.468 55.468 55.767 -0.299 18712 3524 1 6 . 1 1 89 89 GLU CB C 89 30.156 30.156 31.290 -1.134 18712 3525 1 6 . 1 1 89 89 GLU H H 89 8.632 8.632 8.584 0.048 18712 3526 1 6 . 1 1 90 90 VAL N N 90 114.440 114.440 120.295 -5.855 18712 3527 1 6 . 1 1 90 90 VAL HA H 90 5.047 5.047 4.280 0.767 18712 3528 1 6 . 1 1 90 90 VAL CA C 90 58.984 58.984 60.688 -1.704 18712 3529 1 6 . 1 1 90 90 VAL CB C 90 36.484 36.484 35.294 1.190 18712 3530 1 6 . 1 1 90 90 VAL H H 90 8.246 8.246 8.330 -0.084 18712 3531 1 6 . 1 1 91 91 ARG N N 91 118.602 118.602 124.794 -6.192 18712 3532 1 6 . 1 1 91 91 ARG HA H 91 4.771 4.771 4.698 0.073 18712 3533 1 6 . 1 1 91 91 ARG CB C 91 33.672 33.672 33.271 0.401 18712 3534 1 6 . 1 1 91 91 ARG H H 91 9.062 9.062 9.165 -0.103 18712 3535 1 6 . 1 1 92 92 ASP N N 92 121.656 121.656 126.871 -5.215 18712 3536 1 6 . 1 1 92 92 ASP HA H 92 4.754 4.754 4.878 -0.124 18712 3537 1 6 . 1 1 92 92 ASP CB C 92 41.406 41.406 40.946 0.460 18712 3538 1 6 . 1 1 92 92 ASP H H 92 8.770 8.770 8.622 0.148 18712 3539 1 6 . 1 1 93 93 THR N N 93 124.654 124.654 114.549 10.105 18712 3540 1 6 . 1 1 93 93 THR HA H 93 4.586 4.586 4.441 0.145 18712 3541 1 6 . 1 1 93 93 THR CA C 93 60.390 60.390 60.799 -0.409 18712 3542 1 6 . 1 1 93 93 THR CB C 93 66.718 66.718 69.086 -2.368 18712 3543 1 6 . 1 1 93 93 THR H H 93 9.253 9.253 8.050 1.203 18712 3544 1 6 . 1 1 94 94 SER N N 94 117.437 117.437 118.264 -0.827 18712 3545 1 6 . 1 1 94 94 SER HA H 94 4.455 4.455 4.332 0.123 18712 3546 1 6 . 1 1 94 94 SER CA C 94 60.390 60.390 58.601 1.789 18712 3547 1 6 . 1 1 94 94 SER CB C 94 63.906 63.906 63.861 0.045 18712 3548 1 6 . 1 1 94 94 SER H H 94 8.564 8.564 7.483 1.081 18712 3549 1 6 . 1 1 95 95 LEU N N 95 125.594 125.594 117.016 8.578 18712 3550 1 6 . 1 1 95 95 LEU HA H 95 4.684 4.684 4.685 -0.001 18712 3551 1 6 . 1 1 95 95 LEU CB C 95 43.516 43.516 42.872 0.644 18712 3552 1 6 . 1 1 95 95 LEU H H 95 8.964 8.964 8.302 0.662 18712 3553 1 6 . 1 1 96 96 ARG N N 96 128.669 128.669 120.927 7.742 18712 3554 1 6 . 1 1 96 96 ARG HA H 96 5.061 5.061 4.549 0.512 18712 3555 1 6 . 1 1 96 96 ARG CA C 96 54.062 54.062 55.349 -1.287 18712 3556 1 6 . 1 1 96 96 ARG CB C 96 34.375 34.375 30.813 3.562 18712 3557 1 6 . 1 1 96 96 ARG H H 96 8.709 8.709 8.360 0.349 18712 3558 1 6 . 1 1 97 97 VAL N N 97 121.375 121.375 125.514 -4.139 18712 3559 1 6 . 1 1 97 97 VAL HA H 97 3.386 3.386 4.443 -1.057 18712 3560 1 6 . 1 1 97 97 VAL CA C 97 61.093 61.093 59.056 2.037 18712 3561 1 6 . 1 1 97 97 VAL CB C 97 32.266 32.266 33.961 -1.695 18712 3562 1 6 . 1 1 97 97 VAL H H 97 8.745 8.745 8.489 0.256 18712 3563 1 6 . 1 1 98 98 PRO HA H 98 4.543 4.543 4.567 -0.024 18712 3564 1 6 . 1 1 98 98 PRO CA C 98 62.500 62.500 62.203 0.297 18712 3565 1 6 . 1 1 98 98 PRO CB C 98 32.969 32.969 32.648 0.321 18712 3566 1 6 . 1 1 99 99 HIS N N 99 118.140 118.140 116.446 1.694 18712 3567 1 6 . 1 1 99 99 HIS HA H 99 4.272 4.272 4.517 -0.245 18712 3568 1 6 . 1 1 99 99 HIS CA C 99 58.281 58.281 56.782 1.499 18712 3569 1 6 . 1 1 99 99 HIS CB C 99 30.156 30.156 29.365 0.791 18712 3570 1 6 . 1 1 99 99 HIS H H 99 8.368 8.368 8.272 0.096 18712 3571 1 6 . 1 1 100 100 GLY N N 100 116.101 116.101 114.858 1.243 18712 3572 1 6 . 1 1 100 100 GLY CA C 100 45.625 45.625 45.365 0.260 18712 3573 1 6 . 1 1 100 100 GLY H H 100 9.411 9.411 8.847 0.564 18712 3574 1 6 . 1 1 101 101 GLY N N 101 108.798 108.798 110.593 -1.795 18712 3575 1 6 . 1 1 101 101 GLY CA C 101 45.625 45.625 45.223 0.402 18712 3576 1 6 . 1 1 101 101 GLY H H 101 8.399 8.399 7.707 0.692 18712 3577 1 6 . 1 1 102 102 GLY N N 102 105.967 105.967 108.613 -2.646 18712 3578 1 6 . 1 1 102 102 GLY CA C 102 45.625 45.625 45.497 0.128 18712 3579 1 6 . 1 1 102 102 GLY H H 102 8.310 8.310 8.076 0.234 18712 3580 1 6 . 1 1 103 103 GLY N N 103 107.574 107.574 107.129 0.445 18712 3581 1 6 . 1 1 103 103 GLY CA C 103 46.328 46.328 43.749 2.579 18712 3582 1 6 . 1 1 103 103 GLY H H 103 8.075 8.075 7.521 0.554 18712 3583 1 6 . 1 1 104 104 ILE N N 104 122.219 122.219 118.568 3.651 18712 3584 1 6 . 1 1 104 104 ILE HA H 104 5.075 5.075 4.407 0.668 18712 3585 1 6 . 1 1 104 104 ILE CA C 104 58.281 58.281 60.200 -1.919 18712 3586 1 6 . 1 1 104 104 ILE CB C 104 40.703 40.703 42.541 -1.838 18712 3587 1 6 . 1 1 104 104 ILE H H 104 8.269 8.269 7.593 0.676 18712 3588 1 6 . 1 1 105 105 ILE N N 105 124.237 124.237 124.565 -0.328 18712 3589 1 6 . 1 1 105 105 ILE HA H 105 4.312 4.312 4.206 0.106 18712 3590 1 6 . 1 1 105 105 ILE CA C 105 60.390 60.390 61.251 -0.861 18712 3591 1 6 . 1 1 105 105 ILE CB C 105 34.375 34.375 35.138 -0.763 18712 3592 1 6 . 1 1 105 105 ILE H H 105 8.965 8.965 8.360 0.605 18712 3593 1 6 . 1 1 106 106 HIS N N 106 135.053 135.053 127.969 7.084 18712 3594 1 6 . 1 1 106 106 HIS HA H 106 4.506 4.506 4.643 -0.137 18712 3595 1 6 . 1 1 106 106 HIS CA C 106 57.578 57.578 55.570 2.008 18712 3596 1 6 . 1 1 106 106 HIS CB C 106 33.672 33.672 31.793 1.879 18712 3597 1 6 . 1 1 106 106 HIS H H 106 9.604 9.604 8.447 1.157 18712 3598 1 6 . 1 1 107 107 ASP N N 107 112.528 112.528 119.361 -6.833 18712 3599 1 6 . 1 1 107 107 ASP HA H 107 4.707 4.707 4.806 -0.099 18712 3600 1 6 . 1 1 107 107 ASP CB C 107 42.812 42.812 45.511 -2.699 18712 3601 1 6 . 1 1 107 107 ASP H H 107 7.930 7.930 7.844 0.086 18712 3602 1 6 . 1 1 108 108 VAL N N 108 121.656 121.656 120.504 1.152 18712 3603 1 6 . 1 1 108 108 VAL HA H 108 5.028 5.028 4.444 0.584 18712 3604 1 6 . 1 1 108 108 VAL CA C 108 61.796 61.796 61.310 0.486 18712 3605 1 6 . 1 1 108 108 VAL CB C 108 36.484 36.484 34.788 1.696 18712 3606 1 6 . 1 1 108 108 VAL H H 108 8.325 8.325 8.397 -0.072 18712 3607 1 6 . 1 1 109 109 LYS N N 109 126.798 126.798 128.358 -1.560 18712 3608 1 6 . 1 1 109 109 LYS HA H 109 4.676 4.676 4.579 0.097 18712 3609 1 6 . 1 1 109 109 LYS CB C 109 37.187 37.187 34.279 2.908 18712 3610 1 6 . 1 1 109 109 LYS H H 109 9.417 9.417 8.254 1.163 18712 3611 1 6 . 1 1 110 110 VAL N N 110 121.892 121.892 123.521 -1.629 18712 3612 1 6 . 1 1 110 110 VAL HA H 110 4.676 4.676 4.291 0.385 18712 3613 1 6 . 1 1 110 110 VAL CB C 110 33.672 33.672 33.979 -0.307 18712 3614 1 6 . 1 1 110 110 VAL H H 110 8.206 8.206 8.157 0.049 18712 3615 1 6 . 1 1 111 111 PHE N N 111 126.578 126.578 127.422 -0.844 18712 3616 1 6 . 1 1 111 111 PHE HA H 111 4.995 4.995 4.752 0.243 18712 3617 1 6 . 1 1 111 111 PHE CA C 111 56.172 56.172 56.014 0.159 18712 3618 1 6 . 1 1 111 111 PHE CB C 111 42.109 42.109 41.542 0.567 18712 3619 1 6 . 1 1 111 111 PHE H H 111 9.459 9.459 9.153 0.306 18712 3620 1 6 . 1 1 112 112 ASN N N 112 121.797 121.797 119.970 1.827 18712 3621 1 6 . 1 1 112 112 ASN HA H 112 5.425 5.425 5.121 0.304 18712 3622 1 6 . 1 1 112 112 ASN CA C 112 52.656 52.656 52.744 -0.088 18712 3623 1 6 . 1 1 112 112 ASN CB C 112 42.109 42.109 42.183 -0.074 18712 3624 1 6 . 1 1 112 112 ASN H H 112 10.663 10.663 8.806 1.857 18712 3625 1 6 . 1 1 113 113 ARG N N 113 130.516 130.516 124.591 5.925 18712 3626 1 6 . 1 1 113 113 ARG HA H 113 4.435 4.435 4.259 0.176 18712 3627 1 6 . 1 1 113 113 ARG CA C 113 59.687 59.687 58.978 0.709 18712 3628 1 6 . 1 1 113 113 ARG CB C 113 30.859 30.859 30.536 0.323 18712 3629 1 6 . 1 1 113 113 ARG H H 113 9.138 9.138 9.099 0.039 18712 3630 1 6 . 1 1 114 114 GLU N N 114 119.008 119.008 118.306 0.702 18712 3631 1 6 . 1 1 114 114 GLU HA H 114 4.142 4.142 4.083 0.059 18712 3632 1 6 . 1 1 114 114 GLU CA C 114 58.281 58.281 58.770 -0.489 18712 3633 1 6 . 1 1 114 114 GLU CB C 114 29.453 29.453 28.633 0.820 18712 3634 1 6 . 1 1 114 114 GLU H H 114 8.924 8.924 8.431 0.493 18712 3635 1 6 . 1 1 115 115 ASP N N 115 116.593 116.593 119.368 -2.775 18712 3636 1 6 . 1 1 115 115 ASP HA H 115 4.869 4.869 4.564 0.305 18712 3637 1 6 . 1 1 115 115 ASP CA C 115 54.062 54.062 54.148 -0.086 18712 3638 1 6 . 1 1 115 115 ASP CB C 115 42.109 42.109 41.795 0.314 18712 3639 1 6 . 1 1 115 115 ASP H H 115 7.356 7.356 7.660 -0.304 18712 3640 1 6 . 1 1 116 116 GLY N N 116 106.689 106.689 107.846 -1.157 18712 3641 1 6 . 1 1 116 116 GLY CA C 116 44.922 44.922 44.634 0.288 18712 3642 1 6 . 1 1 116 116 GLY H H 116 7.918 7.918 7.699 0.219 18712 3643 1 6 . 1 1 117 117 ASP N N 117 119.329 119.329 122.133 -2.804 18712 3644 1 6 . 1 1 117 117 ASP HA H 117 4.632 4.632 4.647 -0.015 18712 3645 1 6 . 1 1 117 117 ASP CA C 117 55.468 55.468 54.274 1.194 18712 3646 1 6 . 1 1 117 117 ASP CB C 117 41.406 41.406 41.120 0.286 18712 3647 1 6 . 1 1 117 117 ASP H H 117 7.220 7.220 7.833 -0.613 18712 3648 1 6 . 1 1 118 118 GLU N N 118 123.484 123.484 125.240 -1.756 18712 3649 1 6 . 1 1 118 118 GLU HA H 118 4.240 4.240 4.264 -0.024 18712 3650 1 6 . 1 1 118 118 GLU CA C 118 56.875 56.875 57.152 -0.277 18712 3651 1 6 . 1 1 118 118 GLU CB C 118 29.453 29.453 30.234 -0.781 18712 3652 1 6 . 1 1 118 118 GLU H H 118 8.626 8.626 8.469 0.157 18712 3653 1 6 . 1 1 119 119 LEU N N 119 129.139 129.139 125.556 3.583 18712 3654 1 6 . 1 1 119 119 LEU HA H 119 4.759 4.759 4.775 -0.016 18712 3655 1 6 . 1 1 119 119 LEU CB C 119 44.219 44.219 43.829 0.390 18712 3656 1 6 . 1 1 119 119 LEU H H 119 8.106 8.106 8.167 -0.061 18712 3657 1 6 . 1 1 120 120 PRO CB C 120 31.914 31.914 30.816 1.098 18712 3658 1 6 . 1 1 121 121 PRO HA H 121 4.269 4.269 4.342 -0.073 18712 3659 1 6 . 1 1 121 121 PRO CA C 121 63.906 63.906 63.742 0.164 18712 3660 1 6 . 1 1 121 121 PRO CB C 121 31.563 31.563 31.239 0.324 18712 3661 1 6 . 1 1 122 122 GLY N N 122 112.656 112.656 111.773 0.883 18712 3662 1 6 . 1 1 122 122 GLY CA C 122 45.625 45.625 44.775 0.850 18712 3663 1 6 . 1 1 122 122 GLY H H 122 8.827 8.827 8.577 0.250 18712 3664 1 6 . 1 1 123 123 VAL N N 123 119.406 119.406 120.092 -0.686 18712 3665 1 6 . 1 1 123 123 VAL HA H 123 4.017 4.017 4.411 -0.394 18712 3666 1 6 . 1 1 123 123 VAL CA C 123 62.851 62.851 61.945 0.906 18712 3667 1 6 . 1 1 123 123 VAL CB C 123 32.266 32.266 33.501 -1.235 18712 3668 1 6 . 1 1 123 123 VAL H H 123 7.845 7.845 7.372 0.473 18712 3669 1 6 . 1 1 124 124 ASN N N 124 124.609 124.609 120.184 4.425 18712 3670 1 6 . 1 1 124 124 ASN HA H 124 4.877 4.877 4.942 -0.065 18712 3671 1 6 . 1 1 124 124 ASN CA C 124 54.765 54.765 53.137 1.628 18712 3672 1 6 . 1 1 124 124 ASN CB C 124 40.000 40.000 41.106 -1.106 18712 3673 1 6 . 1 1 124 124 ASN H H 124 9.206 9.206 8.704 0.502 18712 3674 1 6 . 1 1 125 125 GLN N N 125 117.959 117.959 115.042 2.917 18712 3675 1 6 . 1 1 125 125 GLN HA H 125 5.234 5.234 4.659 0.575 18712 3676 1 6 . 1 1 125 125 GLN CA C 125 56.172 56.172 55.308 0.864 18712 3677 1 6 . 1 1 125 125 GLN CB C 125 33.672 33.672 33.011 0.661 18712 3678 1 6 . 1 1 125 125 GLN H H 125 7.756 7.756 7.567 0.189 18712 3679 1 6 . 1 1 126 126 LEU N N 126 125.559 125.559 122.800 2.759 18712 3680 1 6 . 1 1 126 126 LEU HA H 126 5.261 5.261 4.880 0.381 18712 3681 1 6 . 1 1 126 126 LEU CA C 126 54.765 54.765 54.756 0.009 18712 3682 1 6 . 1 1 126 126 LEU CB C 126 47.734 47.734 45.839 1.895 18712 3683 1 6 . 1 1 126 126 LEU H H 126 8.866 8.866 8.340 0.526 18712 3684 1 6 . 1 1 127 127 VAL N N 127 126.578 126.578 126.335 0.243 18712 3685 1 6 . 1 1 127 127 VAL HA H 127 5.127 5.127 4.807 0.320 18712 3686 1 6 . 1 1 127 127 VAL CA C 127 60.390 60.390 59.787 0.603 18712 3687 1 6 . 1 1 127 127 VAL CB C 127 35.078 35.078 35.355 -0.277 18712 3688 1 6 . 1 1 127 127 VAL H H 127 9.367 9.367 8.902 0.465 18712 3689 1 6 . 1 1 128 128 ARG N N 128 126.578 126.578 125.321 1.257 18712 3690 1 6 . 1 1 128 128 ARG HA H 128 5.259 5.259 5.230 0.029 18712 3691 1 6 . 1 1 128 128 ARG CA C 128 54.765 54.765 53.853 0.911 18712 3692 1 6 . 1 1 128 128 ARG CB C 128 33.672 33.672 35.020 -1.349 18712 3693 1 6 . 1 1 128 128 ARG H H 128 9.502 9.502 8.960 0.542 18712 3694 1 6 . 1 1 129 129 VAL N N 129 123.977 123.977 118.943 5.034 18712 3695 1 6 . 1 1 129 129 VAL HA H 129 4.489 4.489 4.450 0.039 18712 3696 1 6 . 1 1 129 129 VAL CA C 129 61.093 61.093 61.400 -0.307 18712 3697 1 6 . 1 1 129 129 VAL CB C 129 35.078 35.078 34.810 0.267 18712 3698 1 6 . 1 1 129 129 VAL H H 129 9.051 9.051 8.169 0.882 18712 3699 1 6 . 1 1 130 130 TYR N N 130 124.673 124.673 123.158 1.515 18712 3700 1 6 . 1 1 130 130 TYR HA H 130 5.419 5.419 4.912 0.507 18712 3701 1 6 . 1 1 130 130 TYR CA C 130 56.172 56.172 56.503 -0.331 18712 3702 1 6 . 1 1 130 130 TYR CB C 130 39.297 39.297 40.566 -1.269 18712 3703 1 6 . 1 1 130 130 TYR H H 130 8.650 8.650 8.688 -0.038 18712 3704 1 6 . 1 1 131 131 ILE N N 131 125.227 125.227 124.640 0.587 18712 3705 1 6 . 1 1 131 131 ILE HA H 131 4.869 4.869 4.699 0.170 18712 3706 1 6 . 1 1 131 131 ILE CB C 131 40.000 40.000 41.030 -1.030 18712 3707 1 6 . 1 1 131 131 ILE H H 131 9.509 9.509 8.921 0.588 18712 3708 1 6 . 1 1 132 132 VAL N N 132 126.859 126.859 125.328 1.531 18712 3709 1 6 . 1 1 132 132 VAL HA H 132 4.729 4.729 4.757 -0.028 18712 3710 1 6 . 1 1 132 132 VAL CA C 132 61.093 61.093 59.700 1.393 18712 3711 1 6 . 1 1 132 132 VAL CB C 132 33.672 33.672 32.680 0.992 18712 3712 1 6 . 1 1 132 132 VAL H H 132 9.606 9.606 8.092 1.514 18712 3713 1 6 . 1 1 133 133 GLN N N 133 128.406 128.406 125.354 3.052 18712 3714 1 6 . 1 1 133 133 GLN HA H 133 4.751 4.751 4.616 0.135 18712 3715 1 6 . 1 1 133 133 GLN CA C 133 54.765 54.765 55.289 -0.524 18712 3716 1 6 . 1 1 133 133 GLN CB C 133 31.563 31.563 29.416 2.147 18712 3717 1 6 . 1 1 133 133 GLN H H 133 9.153 9.153 8.487 0.666 18712 3718 1 6 . 1 1 134 134 LYS N N 134 122.929 122.929 124.676 -1.747 18712 3719 1 6 . 1 1 134 134 LYS HA H 134 4.725 4.725 4.679 0.046 18712 3720 1 6 . 1 1 134 134 LYS CA C 134 56.172 56.172 55.584 0.588 18712 3721 1 6 . 1 1 134 134 LYS CB C 134 33.320 33.320 33.994 -0.674 18712 3722 1 6 . 1 1 134 134 LYS H H 134 8.561 8.561 8.559 0.002 18712 3723 1 6 . 1 1 135 135 ARG N N 135 123.484 123.484 118.915 4.569 18712 3724 1 6 . 1 1 135 135 ARG HA H 135 4.503 4.503 4.789 -0.286 18712 3725 1 6 . 1 1 135 135 ARG CA C 135 55.468 55.468 55.057 0.411 18712 3726 1 6 . 1 1 135 135 ARG CB C 135 32.266 32.266 32.283 -0.017 18712 3727 1 6 . 1 1 135 135 ARG H H 135 8.596 8.596 8.236 0.360 18712 3728 1 6 . 1 1 136 136 LYS N N 136 123.906 123.906 119.746 4.160 18712 3729 1 6 . 1 1 136 136 LYS HA H 136 4.467 4.467 4.543 -0.076 18712 3730 1 6 . 1 1 136 136 LYS CA C 136 56.172 56.172 55.344 0.828 18712 3731 1 6 . 1 1 136 136 LYS CB C 136 32.969 32.969 32.851 0.118 18712 3732 1 6 . 1 1 136 136 LYS H H 136 8.608 8.608 8.164 0.444 18712 3733 1 6 . 1 1 137 137 ILE N N 137 123.571 123.571 118.380 5.191 18712 3734 1 6 . 1 1 137 137 ILE HA H 137 4.184 4.184 3.991 0.193 18712 3735 1 6 . 1 1 137 137 ILE CA C 137 61.093 61.093 61.739 -0.646 18712 3736 1 6 . 1 1 137 137 ILE CB C 137 38.594 38.594 38.359 0.235 18712 3737 1 6 . 1 1 137 137 ILE H H 137 8.353 8.353 8.168 0.185 18712 3738 1 6 . 1 1 138 138 SER N N 138 119.547 119.547 117.331 2.216 18712 3739 1 6 . 1 1 138 138 SER HA H 138 4.503 4.503 4.473 0.030 18712 3740 1 6 . 1 1 138 138 SER CA C 138 58.281 58.281 58.032 0.249 18712 3741 1 6 . 1 1 138 138 SER CB C 138 63.906 63.906 63.565 0.341 18712 3742 1 6 . 1 1 138 138 SER H H 138 8.410 8.410 8.178 0.232 18712 3743 1 6 . 1 1 139 139 GLU N N 139 123.281 123.281 126.848 -3.567 18712 3744 1 6 . 1 1 139 139 GLU HA H 139 4.307 4.307 4.266 0.041 18712 3745 1 6 . 1 1 139 139 GLU CA C 139 56.875 56.875 56.439 0.436 18712 3746 1 6 . 1 1 139 139 GLU CB C 139 30.156 30.156 30.191 -0.035 18712 3747 1 6 . 1 1 139 139 GLU H H 139 8.489 8.489 8.616 -0.127 18712 3748 1 6 . 1 1 140 140 GLY N N 140 109.792 109.792 109.331 0.461 18712 3749 1 6 . 1 1 140 140 GLY CA C 140 45.625 45.625 44.975 0.650 18712 3750 1 6 . 1 1 140 140 GLY H H 140 8.418 8.418 8.613 -0.195 18712 3751 1 7 . 1 1 4 4 VAL N N 4 119.125 119.125 119.971 -0.846 18712 3752 1 7 . 1 1 4 4 VAL HA H 4 4.070 4.070 4.211 -0.141 18712 3753 1 7 . 1 1 4 4 VAL CA C 4 62.500 62.500 61.423 1.077 18712 3754 1 7 . 1 1 4 4 VAL CB C 4 32.969 32.969 33.974 -1.005 18712 3755 1 7 . 1 1 4 4 VAL H H 4 7.998 7.998 8.020 -0.022 18712 3756 1 7 . 1 1 5 5 TYR N N 5 122.640 122.640 125.428 -2.788 18712 3757 1 7 . 1 1 5 5 TYR HA H 5 4.674 4.674 4.723 -0.049 18712 3758 1 7 . 1 1 5 5 TYR CA C 5 58.281 58.281 57.772 0.509 18712 3759 1 7 . 1 1 5 5 TYR CB C 5 38.594 38.594 39.096 -0.502 18712 3760 1 7 . 1 1 5 5 TYR H H 5 8.305 8.305 8.430 -0.125 18712 3761 1 7 . 1 1 6 6 THR N N 6 114.861 114.861 113.610 1.251 18712 3762 1 7 . 1 1 6 6 THR HA H 6 4.548 4.548 4.434 0.114 18712 3763 1 7 . 1 1 6 6 THR CA C 6 61.796 61.796 61.594 0.202 18712 3764 1 7 . 1 1 6 6 THR CB C 6 70.234 70.234 69.619 0.615 18712 3765 1 7 . 1 1 6 6 THR H H 6 8.003 8.003 8.468 -0.465 18712 3766 1 7 . 1 1 7 7 SER N N 7 118.140 118.140 115.405 2.735 18712 3767 1 7 . 1 1 7 7 SER HA H 7 4.600 4.600 4.778 -0.178 18712 3768 1 7 . 1 1 7 7 SER CA C 7 57.578 57.578 57.526 0.052 18712 3769 1 7 . 1 1 7 7 SER CB C 7 64.609 64.609 64.706 -0.097 18712 3770 1 7 . 1 1 7 7 SER H H 7 8.487 8.487 8.399 0.088 18712 3771 1 7 . 1 1 8 8 ILE N N 8 121.375 121.375 121.528 -0.153 18712 3772 1 7 . 1 1 8 8 ILE HA H 8 4.627 4.627 4.180 0.447 18712 3773 1 7 . 1 1 8 8 ILE CA C 8 60.390 60.390 60.864 -0.474 18712 3774 1 7 . 1 1 8 8 ILE CB C 8 40.000 40.000 37.746 2.254 18712 3775 1 7 . 1 1 8 8 ILE H H 8 8.139 8.139 8.185 -0.046 18712 3776 1 7 . 1 1 9 9 HIS N N 9 125.734 125.734 122.544 3.190 18712 3777 1 7 . 1 1 9 9 HIS HA H 9 4.768 4.768 4.807 -0.039 18712 3778 1 7 . 1 1 9 9 HIS CB C 9 32.617 32.617 32.577 0.041 18712 3779 1 7 . 1 1 9 9 HIS H H 9 8.743 8.743 8.718 0.025 18712 3780 1 7 . 1 1 10 10 ILE N N 10 125.875 125.875 121.694 4.181 18712 3781 1 7 . 1 1 10 10 ILE HA H 10 4.806 4.806 4.647 0.159 18712 3782 1 7 . 1 1 10 10 ILE CB C 10 39.297 39.297 38.727 0.570 18712 3783 1 7 . 1 1 10 10 ILE H H 10 8.035 8.035 8.351 -0.316 18712 3784 1 7 . 1 1 11 11 GLU N N 11 129.438 129.438 127.577 1.861 18712 3785 1 7 . 1 1 11 11 GLU HA H 11 4.472 4.472 4.485 -0.013 18712 3786 1 7 . 1 1 11 11 GLU CA C 11 54.062 54.062 54.632 -0.570 18712 3787 1 7 . 1 1 11 11 GLU CB C 11 32.617 32.617 31.798 0.819 18712 3788 1 7 . 1 1 11 11 GLU H H 11 8.934 8.934 8.999 -0.065 18712 3789 1 7 . 1 1 12 12 GLU N N 12 123.983 123.983 120.313 3.670 18712 3790 1 7 . 1 1 12 12 GLU HA H 12 4.752 4.752 4.820 -0.068 18712 3791 1 7 . 1 1 12 12 GLU CA C 12 54.062 54.062 55.129 -1.067 18712 3792 1 7 . 1 1 12 12 GLU CB C 12 32.617 32.617 31.640 0.977 18712 3793 1 7 . 1 1 12 12 GLU H H 12 8.192 8.192 8.427 -0.235 18712 3794 1 7 . 1 1 13 13 TYR N N 13 122.826 122.826 123.364 -0.538 18712 3795 1 7 . 1 1 13 13 TYR HA H 13 4.741 4.741 4.757 -0.016 18712 3796 1 7 . 1 1 13 13 TYR CB C 13 42.812 42.812 41.248 1.564 18712 3797 1 7 . 1 1 13 13 TYR H H 13 8.926 8.926 8.149 0.777 18712 3798 1 7 . 1 1 14 14 GLU N N 14 119.329 119.329 121.785 -2.456 18712 3799 1 7 . 1 1 14 14 GLU HA H 14 5.647 5.647 4.639 1.008 18712 3800 1 7 . 1 1 14 14 GLU CA C 14 54.765 54.765 55.343 -0.578 18712 3801 1 7 . 1 1 14 14 GLU CB C 14 34.375 34.375 32.803 1.571 18712 3802 1 7 . 1 1 14 14 GLU H H 14 8.716 8.716 8.497 0.219 18712 3803 1 7 . 1 1 15 15 SER N N 15 116.172 116.172 116.114 0.058 18712 3804 1 7 . 1 1 15 15 SER HA H 15 4.616 4.616 4.755 -0.139 18712 3805 1 7 . 1 1 15 15 SER CA C 15 57.578 57.578 58.456 -0.878 18712 3806 1 7 . 1 1 15 15 SER CB C 15 66.015 66.015 64.832 1.183 18712 3807 1 7 . 1 1 15 15 SER H H 15 8.922 8.922 8.171 0.751 18712 3808 1 7 . 1 1 16 16 GLU N N 16 125.172 125.172 125.410 -0.238 18712 3809 1 7 . 1 1 16 16 GLU HA H 16 5.082 5.082 4.912 0.170 18712 3810 1 7 . 1 1 16 16 GLU CA C 16 54.062 54.062 53.774 0.288 18712 3811 1 7 . 1 1 16 16 GLU CB C 16 32.969 32.969 33.894 -0.925 18712 3812 1 7 . 1 1 16 16 GLU H H 16 8.587 8.587 8.390 0.197 18712 3813 1 7 . 1 1 17 17 ALA N N 17 124.890 124.890 125.864 -0.974 18712 3814 1 7 . 1 1 17 17 ALA HA H 17 4.969 4.969 4.513 0.456 18712 3815 1 7 . 1 1 17 17 ALA CA C 17 50.547 50.547 51.291 -0.744 18712 3816 1 7 . 1 1 17 17 ALA CB C 17 19.610 19.610 19.463 0.147 18712 3817 1 7 . 1 1 17 17 ALA H H 17 9.000 9.000 8.174 0.827 18712 3818 1 7 . 1 1 18 18 ARG N N 18 125.376 125.376 126.083 -0.707 18712 3819 1 7 . 1 1 18 18 ARG HA H 18 5.175 5.175 4.914 0.261 18712 3820 1 7 . 1 1 18 18 ARG CA C 18 54.765 54.765 54.903 -0.138 18712 3821 1 7 . 1 1 18 18 ARG CB C 18 34.375 34.375 30.800 3.575 18712 3822 1 7 . 1 1 18 18 ARG H H 18 9.624 9.624 8.189 1.435 18712 3823 1 7 . 1 1 19 19 ASP N N 19 119.828 119.828 124.425 -4.597 18712 3824 1 7 . 1 1 19 19 ASP HA H 19 4.685 4.685 4.472 0.213 18712 3825 1 7 . 1 1 19 19 ASP CA C 19 55.117 55.117 54.414 0.703 18712 3826 1 7 . 1 1 19 19 ASP CB C 19 41.406 41.406 41.209 0.197 18712 3827 1 7 . 1 1 19 19 ASP H H 19 8.420 8.420 8.094 0.326 18712 3828 1 7 . 1 1 20 20 THR N N 20 112.948 112.948 114.282 -1.334 18712 3829 1 7 . 1 1 20 20 THR HA H 20 4.979 4.979 4.379 0.600 18712 3830 1 7 . 1 1 20 20 THR CA C 20 60.390 60.390 61.726 -1.336 18712 3831 1 7 . 1 1 20 20 THR CB C 20 73.046 73.046 70.438 2.608 18712 3832 1 7 . 1 1 20 20 THR H H 20 7.602 7.602 8.226 -0.624 18712 3833 1 7 . 1 1 21 21 LYS HA H 21 4.146 4.146 4.392 -0.246 18712 3834 1 7 . 1 1 21 21 LYS CA C 21 58.984 58.984 57.992 0.992 18712 3835 1 7 . 1 1 21 21 LYS CB C 21 32.266 32.266 31.190 1.076 18712 3836 1 7 . 1 1 22 22 LEU N N 22 117.346 117.346 120.141 -2.795 18712 3837 1 7 . 1 1 22 22 LEU HA H 22 4.532 4.532 4.422 0.110 18712 3838 1 7 . 1 1 22 22 LEU CA C 22 54.062 54.062 54.562 -0.499 18712 3839 1 7 . 1 1 22 22 LEU CB C 22 42.812 42.812 42.804 0.008 18712 3840 1 7 . 1 1 22 22 LEU H H 22 7.848 7.848 7.406 0.442 18712 3841 1 7 . 1 1 23 23 GLY N N 23 108.437 108.437 109.256 -0.819 18712 3842 1 7 . 1 1 23 23 GLY CA C 23 43.516 43.516 44.306 -0.791 18712 3843 1 7 . 1 1 23 23 GLY H H 23 7.407 7.407 7.458 -0.051 18712 3844 1 7 . 1 1 24 24 PRO HA H 24 4.894 4.894 4.587 0.307 18712 3845 1 7 . 1 1 24 24 PRO CA C 24 63.906 63.906 62.437 1.469 18712 3846 1 7 . 1 1 24 24 PRO CB C 24 31.563 31.563 33.254 -1.691 18712 3847 1 7 . 1 1 25 25 GLU N N 25 118.281 118.281 118.248 0.033 18712 3848 1 7 . 1 1 25 25 GLU HA H 25 4.621 4.621 4.373 0.248 18712 3849 1 7 . 1 1 25 25 GLU CA C 25 56.523 56.523 56.707 -0.184 18712 3850 1 7 . 1 1 25 25 GLU CB C 25 32.266 32.266 31.177 1.089 18712 3851 1 7 . 1 1 25 25 GLU H H 25 8.341 8.341 8.939 -0.598 18712 3852 1 7 . 1 1 26 26 GLU N N 26 119.406 119.406 119.224 0.182 18712 3853 1 7 . 1 1 26 26 GLU HA H 26 4.710 4.710 4.566 0.144 18712 3854 1 7 . 1 1 26 26 GLU CA C 26 54.765 54.765 55.645 -0.880 18712 3855 1 7 . 1 1 26 26 GLU CB C 26 33.672 33.672 31.262 2.410 18712 3856 1 7 . 1 1 26 26 GLU H H 26 8.336 8.336 7.779 0.557 18712 3857 1 7 . 1 1 27 27 ILE N N 27 127.472 127.472 121.678 5.794 18712 3858 1 7 . 1 1 27 27 ILE HA H 27 5.009 5.009 4.203 0.806 18712 3859 1 7 . 1 1 27 27 ILE CA C 27 60.390 60.390 62.078 -1.688 18712 3860 1 7 . 1 1 27 27 ILE CB C 27 37.187 37.187 38.796 -1.609 18712 3861 1 7 . 1 1 27 27 ILE H H 27 8.405 8.405 8.629 -0.224 18712 3862 1 7 . 1 1 28 28 THR N N 28 124.387 124.387 121.497 2.890 18712 3863 1 7 . 1 1 28 28 THR HA H 28 4.492 4.492 4.594 -0.102 18712 3864 1 7 . 1 1 28 28 THR CA C 28 59.687 59.687 60.134 -0.447 18712 3865 1 7 . 1 1 28 28 THR CB C 28 68.125 68.125 70.090 -1.965 18712 3866 1 7 . 1 1 28 28 THR H H 28 8.191 8.191 8.421 -0.230 18712 3867 1 7 . 1 1 29 29 ARG N N 29 120.568 120.568 120.335 0.233 18712 3868 1 7 . 1 1 29 29 ARG HA H 29 4.202 4.202 4.639 -0.437 18712 3869 1 7 . 1 1 29 29 ARG CA C 29 55.468 55.468 55.177 0.291 18712 3870 1 7 . 1 1 29 29 ARG CB C 29 32.266 32.266 31.100 1.166 18712 3871 1 7 . 1 1 29 29 ARG H H 29 7.995 7.995 8.475 -0.480 18712 3872 1 7 . 1 1 30 30 ASP N N 30 123.906 123.906 123.047 0.859 18712 3873 1 7 . 1 1 30 30 ASP HA H 30 4.619 4.619 4.718 -0.099 18712 3874 1 7 . 1 1 30 30 ASP CA C 30 53.359 53.359 53.868 -0.509 18712 3875 1 7 . 1 1 30 30 ASP CB C 30 38.594 38.594 42.183 -3.589 18712 3876 1 7 . 1 1 30 30 ASP H H 30 8.784 8.784 8.680 0.104 18712 3877 1 7 . 1 1 31 31 ILE N N 31 123.422 123.422 122.633 0.789 18712 3878 1 7 . 1 1 31 31 ILE HA H 31 4.063 4.063 4.516 -0.453 18712 3879 1 7 . 1 1 31 31 ILE CA C 31 57.578 57.578 56.662 0.916 18712 3880 1 7 . 1 1 31 31 ILE CB C 31 40.703 40.703 36.513 4.190 18712 3881 1 7 . 1 1 31 31 ILE H H 31 7.404 7.404 8.024 -0.620 18712 3882 1 7 . 1 1 32 32 PRO HA H 32 4.273 4.273 4.516 -0.243 18712 3883 1 7 . 1 1 32 32 PRO CA C 32 63.554 63.554 62.917 0.637 18712 3884 1 7 . 1 1 32 32 PRO CB C 32 32.266 32.266 32.597 -0.332 18712 3885 1 7 . 1 1 33 33 ASN N N 33 114.027 114.027 114.400 -0.373 18712 3886 1 7 . 1 1 33 33 ASN HA H 33 4.269 4.269 4.373 -0.104 18712 3887 1 7 . 1 1 33 33 ASN CA C 33 55.117 55.117 53.950 1.167 18712 3888 1 7 . 1 1 33 33 ASN CB C 33 37.891 37.891 37.227 0.664 18712 3889 1 7 . 1 1 33 33 ASN H H 33 8.880 8.880 8.657 0.223 18712 3890 1 7 . 1 1 34 34 VAL N N 34 117.111 117.111 120.756 -3.645 18712 3891 1 7 . 1 1 34 34 VAL HA H 34 4.249 4.249 4.206 0.043 18712 3892 1 7 . 1 1 34 34 VAL CA C 34 62.148 62.148 61.773 0.375 18712 3893 1 7 . 1 1 34 34 VAL CB C 34 33.672 33.672 33.413 0.260 18712 3894 1 7 . 1 1 34 34 VAL H H 34 7.328 7.328 7.476 -0.148 18712 3895 1 7 . 1 1 35 35 GLY N N 35 113.600 113.600 111.566 2.034 18712 3896 1 7 . 1 1 35 35 GLY CA C 35 44.219 44.219 44.426 -0.207 18712 3897 1 7 . 1 1 35 35 GLY H H 35 8.653 8.653 8.165 0.488 18712 3898 1 7 . 1 1 36 36 GLU N N 36 118.562 118.562 123.296 -4.734 18712 3899 1 7 . 1 1 36 36 GLU HA H 36 3.888 3.888 3.921 -0.033 18712 3900 1 7 . 1 1 36 36 GLU CA C 36 59.687 59.687 59.098 0.589 18712 3901 1 7 . 1 1 36 36 GLU CB C 36 29.453 29.453 29.292 0.161 18712 3902 1 7 . 1 1 36 36 GLU H H 36 8.457 8.457 8.895 -0.438 18712 3903 1 7 . 1 1 37 37 ASP N N 37 118.140 118.140 121.031 -2.891 18712 3904 1 7 . 1 1 37 37 ASP HA H 37 4.335 4.335 4.488 -0.153 18712 3905 1 7 . 1 1 37 37 ASP CA C 37 56.875 56.875 56.642 0.232 18712 3906 1 7 . 1 1 37 37 ASP CB C 37 40.000 40.000 39.878 0.122 18712 3907 1 7 . 1 1 37 37 ASP H H 37 8.728 8.728 8.757 -0.029 18712 3908 1 7 . 1 1 38 38 ALA N N 38 120.752 120.752 120.216 0.536 18712 3909 1 7 . 1 1 38 38 ALA HA H 38 4.288 4.288 4.215 0.073 18712 3910 1 7 . 1 1 38 38 ALA CA C 38 53.359 53.359 54.190 -0.831 18712 3911 1 7 . 1 1 38 38 ALA CB C 38 18.555 18.555 18.913 -0.358 18712 3912 1 7 . 1 1 38 38 ALA H H 38 7.642 7.642 7.493 0.149 18712 3913 1 7 . 1 1 39 39 LEU N N 39 117.015 117.015 112.360 4.655 18712 3914 1 7 . 1 1 39 39 LEU HA H 39 4.295 4.295 4.762 -0.467 18712 3915 1 7 . 1 1 39 39 LEU CA C 39 54.765 54.765 54.131 0.634 18712 3916 1 7 . 1 1 39 39 LEU CB C 39 43.164 43.164 41.784 1.380 18712 3917 1 7 . 1 1 39 39 LEU H H 39 7.446 7.446 7.237 0.209 18712 3918 1 7 . 1 1 40 40 ARG N N 40 118.017 118.017 119.285 -1.268 18712 3919 1 7 . 1 1 40 40 ARG HA H 40 4.064 4.064 4.127 -0.063 18712 3920 1 7 . 1 1 40 40 ARG CA C 40 59.687 59.687 58.430 1.257 18712 3921 1 7 . 1 1 40 40 ARG CB C 40 30.508 30.508 30.521 -0.013 18712 3922 1 7 . 1 1 40 40 ARG H H 40 7.079 7.079 7.750 -0.671 18712 3923 1 7 . 1 1 41 41 ASN N N 41 115.439 115.439 116.672 -1.233 18712 3924 1 7 . 1 1 41 41 ASN HA H 41 4.996 4.996 4.746 0.250 18712 3925 1 7 . 1 1 41 41 ASN CA C 41 53.359 53.359 53.548 -0.189 18712 3926 1 7 . 1 1 41 41 ASN CB C 41 39.297 39.297 38.928 0.369 18712 3927 1 7 . 1 1 41 41 ASN H H 41 9.057 9.057 8.198 0.859 18712 3928 1 7 . 1 1 42 42 LEU N N 42 118.703 118.703 121.353 -2.650 18712 3929 1 7 . 1 1 42 42 LEU HA H 42 4.403 4.403 4.134 0.269 18712 3930 1 7 . 1 1 42 42 LEU CA C 42 54.062 54.062 56.433 -2.371 18712 3931 1 7 . 1 1 42 42 LEU CB C 42 42.812 42.812 42.496 0.316 18712 3932 1 7 . 1 1 42 42 LEU H H 42 7.719 7.719 7.972 -0.253 18712 3933 1 7 . 1 1 43 43 ASP N N 43 122.791 122.791 125.139 -2.348 18712 3934 1 7 . 1 1 43 43 ASP HA H 43 4.481 4.481 4.838 -0.357 18712 3935 1 7 . 1 1 43 43 ASP CA C 43 52.656 52.656 53.309 -0.653 18712 3936 1 7 . 1 1 43 43 ASP CB C 43 39.648 39.648 42.292 -2.644 18712 3937 1 7 . 1 1 43 43 ASP H H 43 8.933 8.933 7.875 1.058 18712 3938 1 7 . 1 1 44 44 ASP N N 44 114.917 114.917 117.839 -2.922 18712 3939 1 7 . 1 1 44 44 ASP HA H 44 4.278 4.278 4.353 -0.075 18712 3940 1 7 . 1 1 44 44 ASP CA C 44 56.875 56.875 55.850 1.024 18712 3941 1 7 . 1 1 44 44 ASP CB C 44 40.000 40.000 40.217 -0.217 18712 3942 1 7 . 1 1 44 44 ASP H H 44 8.281 8.281 8.802 -0.521 18712 3943 1 7 . 1 1 45 45 ARG N N 45 118.140 118.140 118.989 -0.849 18712 3944 1 7 . 1 1 45 45 ARG HA H 45 4.366 4.366 4.335 0.031 18712 3945 1 7 . 1 1 45 45 ARG CA C 45 55.117 55.117 56.236 -1.119 18712 3946 1 7 . 1 1 45 45 ARG CB C 45 30.859 30.859 30.360 0.499 18712 3947 1 7 . 1 1 45 45 ARG H H 45 8.500 8.500 8.211 0.289 18712 3948 1 7 . 1 1 46 46 GLY N N 46 101.828 101.828 107.062 -5.234 18712 3949 1 7 . 1 1 46 46 GLY CA C 46 45.273 45.273 45.160 0.113 18712 3950 1 7 . 1 1 46 46 GLY H H 46 7.680 7.680 7.796 -0.116 18712 3951 1 7 . 1 1 47 47 VAL N N 47 119.955 119.955 119.374 0.581 18712 3952 1 7 . 1 1 47 47 VAL HA H 47 4.406 4.406 4.398 0.008 18712 3953 1 7 . 1 1 47 47 VAL CA C 47 61.796 61.796 59.289 2.507 18712 3954 1 7 . 1 1 47 47 VAL CB C 47 33.672 33.672 34.100 -0.428 18712 3955 1 7 . 1 1 47 47 VAL H H 47 8.007 8.007 7.410 0.597 18712 3956 1 7 . 1 1 48 48 ILE N N 48 128.406 128.406 126.972 1.434 18712 3957 1 7 . 1 1 48 48 ILE HA H 48 4.202 4.202 3.982 0.220 18712 3958 1 7 . 1 1 48 48 ILE CA C 48 59.687 59.687 61.136 -1.449 18712 3959 1 7 . 1 1 48 48 ILE CB C 48 38.945 38.945 36.633 2.312 18712 3960 1 7 . 1 1 48 48 ILE H H 48 8.145 8.145 7.917 0.228 18712 3961 1 7 . 1 1 49 49 ARG N N 49 123.765 123.765 126.659 -2.894 18712 3962 1 7 . 1 1 49 49 ARG HA H 49 4.328 4.328 4.270 0.058 18712 3963 1 7 . 1 1 49 49 ARG CA C 49 56.875 56.875 55.977 0.898 18712 3964 1 7 . 1 1 49 49 ARG CB C 49 31.563 31.563 31.714 -0.151 18712 3965 1 7 . 1 1 49 49 ARG H H 49 7.447 7.447 8.293 -0.846 18712 3966 1 7 . 1 1 50 50 ILE N N 50 121.094 121.094 120.572 0.522 18712 3967 1 7 . 1 1 50 50 ILE HA H 50 3.414 3.414 3.746 -0.332 18712 3968 1 7 . 1 1 50 50 ILE CA C 50 64.609 64.609 61.597 3.012 18712 3969 1 7 . 1 1 50 50 ILE H H 50 8.284 8.284 8.213 0.071 18712 3970 1 7 . 1 1 51 51 GLY N N 51 115.791 115.791 113.076 2.715 18712 3971 1 7 . 1 1 51 51 GLY CA C 51 44.922 44.922 45.165 -0.243 18712 3972 1 7 . 1 1 51 51 GLY H H 51 8.679 8.679 8.997 -0.318 18712 3973 1 7 . 1 1 52 52 ALA N N 52 122.065 122.065 123.135 -1.070 18712 3974 1 7 . 1 1 52 52 ALA HA H 52 4.246 4.246 4.584 -0.338 18712 3975 1 7 . 1 1 52 52 ALA CA C 52 52.656 52.656 50.707 1.949 18712 3976 1 7 . 1 1 52 52 ALA CB C 52 18.906 18.906 20.318 -1.412 18712 3977 1 7 . 1 1 52 52 ALA H H 52 7.496 7.496 7.500 -0.004 18712 3978 1 7 . 1 1 53 53 GLU N N 53 121.468 121.468 123.480 -2.012 18712 3979 1 7 . 1 1 53 53 GLU HA H 53 4.892 4.892 4.152 0.740 18712 3980 1 7 . 1 1 53 53 GLU CB C 53 30.508 30.508 30.114 0.394 18712 3981 1 7 . 1 1 53 53 GLU H H 53 8.427 8.427 8.553 -0.126 18712 3982 1 7 . 1 1 54 54 VAL N N 54 117.437 117.437 123.913 -6.476 18712 3983 1 7 . 1 1 54 54 VAL HA H 54 4.979 4.979 4.157 0.822 18712 3984 1 7 . 1 1 54 54 VAL CA C 54 58.632 58.632 60.488 -1.856 18712 3985 1 7 . 1 1 54 54 VAL CB C 54 35.781 35.781 33.163 2.618 18712 3986 1 7 . 1 1 54 54 VAL H H 54 9.002 9.002 8.254 0.748 18712 3987 1 7 . 1 1 55 55 LYS N N 55 123.906 123.906 123.270 0.636 18712 3988 1 7 . 1 1 55 55 LYS HA H 55 4.698 4.698 4.531 0.167 18712 3989 1 7 . 1 1 55 55 LYS CA C 55 53.359 53.359 54.838 -1.479 18712 3990 1 7 . 1 1 55 55 LYS CB C 55 35.781 35.781 34.555 1.226 18712 3991 1 7 . 1 1 55 55 LYS H H 55 9.244 9.244 7.866 1.378 18712 3992 1 7 . 1 1 56 56 ASP N N 56 118.562 118.562 121.149 -2.587 18712 3993 1 7 . 1 1 56 56 ASP HA H 56 3.764 3.764 4.364 -0.600 18712 3994 1 7 . 1 1 56 56 ASP CA C 56 56.172 56.172 56.572 -0.400 18712 3995 1 7 . 1 1 56 56 ASP CB C 56 40.000 40.000 41.063 -1.063 18712 3996 1 7 . 1 1 56 56 ASP H H 56 8.176 8.176 8.748 -0.572 18712 3997 1 7 . 1 1 57 57 GLY N N 57 112.515 112.515 114.070 -1.555 18712 3998 1 7 . 1 1 57 57 GLY CA C 57 45.625 45.625 45.163 0.462 18712 3999 1 7 . 1 1 57 57 GLY H H 57 8.841 8.841 8.978 -0.137 18712 4000 1 7 . 1 1 58 58 ASP N N 58 121.375 121.375 121.826 -0.451 18712 4001 1 7 . 1 1 58 58 ASP HA H 58 4.532 4.532 4.941 -0.409 18712 4002 1 7 . 1 1 58 58 ASP CA C 58 54.765 54.765 52.830 1.935 18712 4003 1 7 . 1 1 58 58 ASP CB C 58 41.055 41.055 40.706 0.349 18712 4004 1 7 . 1 1 58 58 ASP H H 58 8.209 8.209 7.721 0.488 18712 4005 1 7 . 1 1 59 59 LEU N N 59 119.828 119.828 122.763 -2.935 18712 4006 1 7 . 1 1 59 59 LEU HA H 59 3.976 3.976 4.229 -0.253 18712 4007 1 7 . 1 1 59 59 LEU CA C 59 56.875 56.875 55.454 1.421 18712 4008 1 7 . 1 1 59 59 LEU CB C 59 44.219 44.219 42.795 1.424 18712 4009 1 7 . 1 1 59 59 LEU H H 59 8.570 8.570 8.253 0.317 18712 4010 1 7 . 1 1 60 60 LEU N N 60 116.594 116.594 112.182 4.412 18712 4011 1 7 . 1 1 60 60 LEU HA H 60 4.518 4.518 4.010 0.508 18712 4012 1 7 . 1 1 60 60 LEU CB C 60 44.922 44.922 40.059 4.863 18712 4013 1 7 . 1 1 60 60 LEU H H 60 8.816 8.816 7.966 0.850 18712 4014 1 7 . 1 1 61 61 VAL N N 61 115.656 115.656 110.943 4.713 18712 4015 1 7 . 1 1 61 61 VAL HA H 61 4.618 4.618 4.443 0.175 18712 4016 1 7 . 1 1 61 61 VAL CA C 61 61.093 61.093 60.155 0.938 18712 4017 1 7 . 1 1 61 61 VAL CB C 61 36.484 36.484 35.007 1.477 18712 4018 1 7 . 1 1 61 61 VAL H H 61 7.322 7.322 7.381 -0.059 18712 4019 1 7 . 1 1 62 62 GLY N N 62 117.191 117.191 111.959 5.232 18712 4020 1 7 . 1 1 62 62 GLY CA C 62 45.625 45.625 44.477 1.148 18712 4021 1 7 . 1 1 62 62 GLY H H 62 9.563 9.563 8.490 1.073 18712 4022 1 7 . 1 1 63 63 LYS N N 63 127.584 127.584 125.664 1.920 18712 4023 1 7 . 1 1 63 63 LYS HA H 63 5.328 5.328 4.665 0.663 18712 4024 1 7 . 1 1 63 63 LYS CA C 63 56.172 56.172 55.319 0.853 18712 4025 1 7 . 1 1 63 63 LYS CB C 63 35.078 35.078 34.270 0.808 18712 4026 1 7 . 1 1 63 63 LYS H H 63 8.712 8.712 8.006 0.706 18712 4027 1 7 . 1 1 64 64 VAL N N 64 114.383 114.383 121.412 -7.029 18712 4028 1 7 . 1 1 64 64 VAL HA H 64 5.523 5.523 5.063 0.460 18712 4029 1 7 . 1 1 64 64 VAL CA C 64 57.578 57.578 59.207 -1.629 18712 4030 1 7 . 1 1 64 64 VAL CB C 64 35.781 35.781 34.514 1.267 18712 4031 1 7 . 1 1 64 64 VAL H H 64 8.481 8.481 7.908 0.573 18712 4032 1 7 . 1 1 65 65 THR N N 65 118.431 118.431 116.466 1.965 18712 4033 1 7 . 1 1 65 65 THR HA H 65 4.602 4.602 4.854 -0.252 18712 4034 1 7 . 1 1 65 65 THR CA C 65 59.687 59.687 58.454 1.233 18712 4035 1 7 . 1 1 65 65 THR CB C 65 72.343 72.343 68.717 3.626 18712 4036 1 7 . 1 1 65 65 THR H H 65 8.637 8.637 7.973 0.664 18712 4037 1 7 . 1 1 66 66 PRO HA H 66 4.557 4.557 4.394 0.163 18712 4038 1 7 . 1 1 66 66 PRO CA C 66 63.906 63.906 62.895 1.011 18712 4039 1 7 . 1 1 66 66 PRO CB C 66 32.969 32.969 32.281 0.688 18712 4040 1 7 . 1 1 67 67 LYS N N 67 122.359 122.359 121.866 0.493 18712 4041 1 7 . 1 1 67 67 LYS HA H 67 4.391 4.391 4.584 -0.193 18712 4042 1 7 . 1 1 67 67 LYS CA C 67 56.172 56.172 54.854 1.318 18712 4043 1 7 . 1 1 67 67 LYS CB C 67 35.078 35.078 36.553 -1.474 18712 4044 1 7 . 1 1 67 67 LYS H H 67 8.371 8.371 7.939 0.432 18712 4045 1 7 . 1 1 68 68 GLY N N 68 109.563 109.563 111.454 -1.891 18712 4046 1 7 . 1 1 68 68 GLY CA C 68 44.922 44.922 45.402 -0.480 18712 4047 1 7 . 1 1 68 68 GLY H H 68 8.583 8.583 8.586 -0.003 18712 4048 1 7 . 1 1 69 69 VAL N N 69 118.378 118.378 122.968 -4.590 18712 4049 1 7 . 1 1 69 69 VAL HA H 69 4.032 4.032 4.047 -0.015 18712 4050 1 7 . 1 1 69 69 VAL CA C 69 63.203 63.203 64.687 -1.484 18712 4051 1 7 . 1 1 69 69 VAL CB C 69 32.266 32.266 32.487 -0.222 18712 4052 1 7 . 1 1 69 69 VAL H H 69 8.235 8.235 8.336 -0.101 18712 4053 1 7 . 1 1 70 70 THR N N 70 114.484 114.484 113.408 1.076 18712 4054 1 7 . 1 1 70 70 THR HA H 70 4.281 4.281 4.220 0.061 18712 4055 1 7 . 1 1 70 70 THR CA C 70 62.500 62.500 64.248 -1.748 18712 4056 1 7 . 1 1 70 70 THR CB C 70 69.531 69.531 68.899 0.632 18712 4057 1 7 . 1 1 70 70 THR H H 70 8.085 8.085 7.835 0.250 18712 4058 1 7 . 1 1 71 71 GLU N N 71 121.656 121.656 120.724 0.932 18712 4059 1 7 . 1 1 71 71 GLU HA H 71 4.325 4.325 4.461 -0.136 18712 4060 1 7 . 1 1 71 71 GLU CA C 71 56.172 56.172 55.681 0.491 18712 4061 1 7 . 1 1 71 71 GLU CB C 71 30.859 30.859 28.847 2.012 18712 4062 1 7 . 1 1 71 71 GLU H H 71 8.175 8.175 8.223 -0.048 18712 4063 1 7 . 1 1 72 72 LEU N N 72 122.219 122.219 119.099 3.120 18712 4064 1 7 . 1 1 72 72 LEU HA H 72 4.534 4.534 4.277 0.257 18712 4065 1 7 . 1 1 72 72 LEU CA C 72 54.765 54.765 54.648 0.117 18712 4066 1 7 . 1 1 72 72 LEU CB C 72 42.812 42.812 43.013 -0.201 18712 4067 1 7 . 1 1 72 72 LEU H H 72 7.770 7.770 7.426 0.344 18712 4068 1 7 . 1 1 73 73 THR N N 73 114.407 114.407 111.279 3.128 18712 4069 1 7 . 1 1 73 73 THR HA H 73 4.405 4.405 4.510 -0.105 18712 4070 1 7 . 1 1 73 73 THR CA C 73 61.093 61.093 60.426 0.667 18712 4071 1 7 . 1 1 73 73 THR CB C 73 70.937 70.937 71.176 -0.239 18712 4072 1 7 . 1 1 73 73 THR H H 73 8.869 8.869 8.032 0.837 18712 4073 1 7 . 1 1 74 74 ALA N N 74 123.782 123.782 121.948 1.834 18712 4074 1 7 . 1 1 74 74 ALA HA H 74 4.026 4.026 4.118 -0.092 18712 4075 1 7 . 1 1 74 74 ALA CA C 74 55.468 55.468 54.795 0.673 18712 4076 1 7 . 1 1 74 74 ALA CB C 74 18.203 18.203 18.474 -0.271 18712 4077 1 7 . 1 1 74 74 ALA H H 74 8.831 8.831 8.667 0.164 18712 4078 1 7 . 1 1 75 75 GLU N N 75 117.578 117.578 117.843 -0.265 18712 4079 1 7 . 1 1 75 75 GLU HA H 75 4.043 4.043 4.137 -0.094 18712 4080 1 7 . 1 1 75 75 GLU CA C 75 59.687 59.687 58.930 0.757 18712 4081 1 7 . 1 1 75 75 GLU CB C 75 29.453 29.453 29.557 -0.104 18712 4082 1 7 . 1 1 75 75 GLU H H 75 8.637 8.637 7.910 0.727 18712 4083 1 7 . 1 1 76 76 GLU N N 76 120.042 120.042 119.714 0.328 18712 4084 1 7 . 1 1 76 76 GLU HA H 76 4.010 4.010 4.173 -0.163 18712 4085 1 7 . 1 1 76 76 GLU CA C 76 58.281 58.281 59.074 -0.793 18712 4086 1 7 . 1 1 76 76 GLU CB C 76 30.859 30.859 29.541 1.319 18712 4087 1 7 . 1 1 76 76 GLU H H 76 7.847 7.847 7.540 0.307 18712 4088 1 7 . 1 1 77 77 ARG N N 77 119.687 119.687 119.177 0.510 18712 4089 1 7 . 1 1 77 77 ARG HA H 77 3.975 3.975 4.038 -0.063 18712 4090 1 7 . 1 1 77 77 ARG CA C 77 58.984 58.984 59.165 -0.181 18712 4091 1 7 . 1 1 77 77 ARG CB C 77 30.156 30.156 29.987 0.169 18712 4092 1 7 . 1 1 77 77 ARG H H 77 8.452 8.452 8.442 0.010 18712 4093 1 7 . 1 1 78 78 LEU N N 78 120.250 120.250 116.975 3.275 18712 4094 1 7 . 1 1 78 78 LEU HA H 78 4.210 4.210 4.454 -0.244 18712 4095 1 7 . 1 1 78 78 LEU CA C 78 56.875 56.875 56.820 0.055 18712 4096 1 7 . 1 1 78 78 LEU CB C 78 42.109 42.109 42.000 0.109 18712 4097 1 7 . 1 1 78 78 LEU H H 78 7.685 7.685 7.487 0.198 18712 4098 1 7 . 1 1 79 79 LEU N N 79 119.265 119.265 121.040 -1.775 18712 4099 1 7 . 1 1 79 79 LEU HA H 79 4.208 4.208 3.961 0.247 18712 4100 1 7 . 1 1 79 79 LEU CA C 79 56.875 56.875 57.744 -0.869 18712 4101 1 7 . 1 1 79 79 LEU CB C 79 42.109 42.109 41.489 0.620 18712 4102 1 7 . 1 1 79 79 LEU H H 79 7.679 7.679 7.352 0.327 18712 4103 1 7 . 1 1 80 80 HIS N N 80 118.348 118.348 119.045 -0.697 18712 4104 1 7 . 1 1 80 80 HIS HA H 80 4.422 4.422 4.192 0.230 18712 4105 1 7 . 1 1 80 80 HIS CA C 80 57.578 57.578 59.515 -1.937 18712 4106 1 7 . 1 1 80 80 HIS CB C 80 30.156 30.156 29.800 0.356 18712 4107 1 7 . 1 1 80 80 HIS H H 80 8.127 8.127 7.871 0.256 18712 4108 1 7 . 1 1 81 81 ALA N N 81 122.359 122.359 121.505 0.854 18712 4109 1 7 . 1 1 81 81 ALA HA H 81 4.204 4.204 4.225 -0.021 18712 4110 1 7 . 1 1 81 81 ALA CA C 81 54.062 54.062 54.651 -0.589 18712 4111 1 7 . 1 1 81 81 ALA CB C 81 18.906 18.906 18.243 0.663 18712 4112 1 7 . 1 1 81 81 ALA H H 81 7.908 7.908 7.848 0.060 18712 4113 1 7 . 1 1 82 82 ILE N N 82 117.705 117.705 118.197 -0.492 18712 4114 1 7 . 1 1 82 82 ILE HA H 82 3.972 3.972 3.934 0.038 18712 4115 1 7 . 1 1 82 82 ILE CA C 82 62.500 62.500 62.947 -0.447 18712 4116 1 7 . 1 1 82 82 ILE CB C 82 38.594 38.594 37.338 1.256 18712 4117 1 7 . 1 1 82 82 ILE H H 82 7.780 7.780 7.219 0.561 18712 4118 1 7 . 1 1 83 83 PHE N N 83 120.528 120.528 118.775 1.753 18712 4119 1 7 . 1 1 83 83 PHE HA H 83 4.633 4.633 4.354 0.279 18712 4120 1 7 . 1 1 83 83 PHE CA C 83 58.281 58.281 59.032 -0.751 18712 4121 1 7 . 1 1 83 83 PHE CB C 83 40.000 40.000 39.842 0.158 18712 4122 1 7 . 1 1 83 83 PHE H H 83 8.227 8.227 8.081 0.146 18712 4123 1 7 . 1 1 84 84 GLY N N 84 110.328 110.328 108.317 2.011 18712 4124 1 7 . 1 1 84 84 GLY CA C 84 45.625 45.625 45.610 0.015 18712 4125 1 7 . 1 1 84 84 GLY H H 84 8.157 8.157 8.264 -0.107 18712 4126 1 7 . 1 1 85 85 GLU N N 85 120.975 120.975 116.457 4.518 18712 4127 1 7 . 1 1 85 85 GLU HA H 85 4.234 4.234 4.537 -0.303 18712 4128 1 7 . 1 1 85 85 GLU CA C 85 57.226 57.226 54.646 2.580 18712 4129 1 7 . 1 1 85 85 GLU CB C 85 30.156 30.156 31.997 -1.841 18712 4130 1 7 . 1 1 85 85 GLU H H 85 8.374 8.374 7.511 0.863 18712 4131 1 7 . 1 1 86 86 LYS N N 86 121.202 121.202 121.360 -0.158 18712 4132 1 7 . 1 1 86 86 LYS HA H 86 4.291 4.291 4.076 0.215 18712 4133 1 7 . 1 1 86 86 LYS CA C 86 56.172 56.172 56.331 -0.159 18712 4134 1 7 . 1 1 86 86 LYS CB C 86 32.969 32.969 32.334 0.635 18712 4135 1 7 . 1 1 86 86 LYS H H 86 8.230 8.230 8.321 -0.091 18712 4136 1 7 . 1 1 87 87 ALA N N 87 124.596 124.596 125.728 -1.132 18712 4137 1 7 . 1 1 87 87 ALA HA H 87 4.236 4.236 4.469 -0.233 18712 4138 1 7 . 1 1 87 87 ALA CA C 87 52.656 52.656 51.252 1.404 18712 4139 1 7 . 1 1 87 87 ALA CB C 87 19.610 19.610 21.310 -1.700 18712 4140 1 7 . 1 1 87 87 ALA H H 87 8.179 8.179 8.101 0.078 18712 4141 1 7 . 1 1 88 88 ARG N N 88 120.688 120.688 119.831 0.857 18712 4142 1 7 . 1 1 88 88 ARG HA H 88 4.344 4.344 4.536 -0.192 18712 4143 1 7 . 1 1 88 88 ARG CA C 88 56.172 56.172 55.092 1.080 18712 4144 1 7 . 1 1 88 88 ARG CB C 88 30.859 30.859 30.985 -0.126 18712 4145 1 7 . 1 1 88 88 ARG H H 88 8.274 8.274 8.369 -0.095 18712 4146 1 7 . 1 1 89 89 GLU N N 89 124.469 124.469 122.402 2.067 18712 4147 1 7 . 1 1 89 89 GLU HA H 89 4.575 4.575 4.629 -0.054 18712 4148 1 7 . 1 1 89 89 GLU CA C 89 55.468 55.468 55.636 -0.168 18712 4149 1 7 . 1 1 89 89 GLU CB C 89 30.156 30.156 31.569 -1.413 18712 4150 1 7 . 1 1 89 89 GLU H H 89 8.632 8.632 8.691 -0.059 18712 4151 1 7 . 1 1 90 90 VAL N N 90 114.440 114.440 116.559 -2.119 18712 4152 1 7 . 1 1 90 90 VAL HA H 90 5.047 5.047 4.613 0.434 18712 4153 1 7 . 1 1 90 90 VAL CA C 90 58.984 58.984 59.445 -0.461 18712 4154 1 7 . 1 1 90 90 VAL CB C 90 36.484 36.484 35.010 1.474 18712 4155 1 7 . 1 1 90 90 VAL H H 90 8.246 8.246 8.246 -0.000 18712 4156 1 7 . 1 1 91 91 ARG N N 91 118.602 118.602 120.842 -2.240 18712 4157 1 7 . 1 1 91 91 ARG HA H 91 4.771 4.771 4.629 0.142 18712 4158 1 7 . 1 1 91 91 ARG CB C 91 33.672 33.672 33.055 0.617 18712 4159 1 7 . 1 1 91 91 ARG H H 91 9.062 9.062 8.448 0.614 18712 4160 1 7 . 1 1 92 92 ASP N N 92 121.656 121.656 124.316 -2.660 18712 4161 1 7 . 1 1 92 92 ASP HA H 92 4.754 4.754 4.629 0.125 18712 4162 1 7 . 1 1 92 92 ASP CB C 92 41.406 41.406 40.025 1.381 18712 4163 1 7 . 1 1 92 92 ASP H H 92 8.770 8.770 8.696 0.074 18712 4164 1 7 . 1 1 93 93 THR N N 93 124.654 124.654 112.334 12.320 18712 4165 1 7 . 1 1 93 93 THR HA H 93 4.586 4.586 4.450 0.136 18712 4166 1 7 . 1 1 93 93 THR CA C 93 60.390 60.390 61.032 -0.642 18712 4167 1 7 . 1 1 93 93 THR CB C 93 66.718 66.718 69.442 -2.724 18712 4168 1 7 . 1 1 93 93 THR H H 93 9.253 9.253 8.070 1.183 18712 4169 1 7 . 1 1 94 94 SER N N 94 117.437 117.437 116.937 0.500 18712 4170 1 7 . 1 1 94 94 SER HA H 94 4.455 4.455 4.566 -0.111 18712 4171 1 7 . 1 1 94 94 SER CA C 94 60.390 60.390 57.727 2.663 18712 4172 1 7 . 1 1 94 94 SER CB C 94 63.906 63.906 64.597 -0.691 18712 4173 1 7 . 1 1 94 94 SER H H 94 8.564 8.564 7.413 1.151 18712 4174 1 7 . 1 1 95 95 LEU N N 95 125.594 125.594 118.665 6.929 18712 4175 1 7 . 1 1 95 95 LEU HA H 95 4.684 4.684 4.464 0.220 18712 4176 1 7 . 1 1 95 95 LEU CB C 95 43.516 43.516 42.947 0.569 18712 4177 1 7 . 1 1 95 95 LEU H H 95 8.964 8.964 7.955 1.009 18712 4178 1 7 . 1 1 96 96 ARG N N 96 128.669 128.669 122.483 6.186 18712 4179 1 7 . 1 1 96 96 ARG HA H 96 5.061 5.061 4.463 0.598 18712 4180 1 7 . 1 1 96 96 ARG CA C 96 54.062 54.062 55.077 -1.015 18712 4181 1 7 . 1 1 96 96 ARG CB C 96 34.375 34.375 30.353 4.022 18712 4182 1 7 . 1 1 96 96 ARG H H 96 8.709 8.709 8.468 0.241 18712 4183 1 7 . 1 1 97 97 VAL N N 97 121.375 121.375 127.045 -5.670 18712 4184 1 7 . 1 1 97 97 VAL HA H 97 3.386 3.386 4.518 -1.132 18712 4185 1 7 . 1 1 97 97 VAL CA C 97 61.093 61.093 59.625 1.468 18712 4186 1 7 . 1 1 97 97 VAL CB C 97 32.266 32.266 33.209 -0.943 18712 4187 1 7 . 1 1 97 97 VAL H H 97 8.745 8.745 8.525 0.220 18712 4188 1 7 . 1 1 98 98 PRO HA H 98 4.543 4.543 4.592 -0.049 18712 4189 1 7 . 1 1 98 98 PRO CA C 98 62.500 62.500 62.574 -0.074 18712 4190 1 7 . 1 1 98 98 PRO CB C 98 32.969 32.969 32.743 0.226 18712 4191 1 7 . 1 1 99 99 HIS N N 99 118.140 118.140 119.010 -0.870 18712 4192 1 7 . 1 1 99 99 HIS HA H 99 4.272 4.272 4.321 -0.049 18712 4193 1 7 . 1 1 99 99 HIS CA C 99 58.281 58.281 56.871 1.409 18712 4194 1 7 . 1 1 99 99 HIS CB C 99 30.156 30.156 30.019 0.137 18712 4195 1 7 . 1 1 99 99 HIS H H 99 8.368 8.368 8.442 -0.074 18712 4196 1 7 . 1 1 100 100 GLY N N 100 116.101 116.101 116.756 -0.655 18712 4197 1 7 . 1 1 100 100 GLY CA C 100 45.625 45.625 45.384 0.241 18712 4198 1 7 . 1 1 100 100 GLY H H 100 9.411 9.411 9.132 0.279 18712 4199 1 7 . 1 1 101 101 GLY N N 101 108.798 108.798 109.590 -0.792 18712 4200 1 7 . 1 1 101 101 GLY CA C 101 45.625 45.625 45.743 -0.118 18712 4201 1 7 . 1 1 101 101 GLY H H 101 8.399 8.399 7.993 0.406 18712 4202 1 7 . 1 1 102 102 GLY N N 102 105.967 105.967 109.381 -3.414 18712 4203 1 7 . 1 1 102 102 GLY CA C 102 45.625 45.625 45.505 0.119 18712 4204 1 7 . 1 1 102 102 GLY H H 102 8.310 8.310 8.325 -0.015 18712 4205 1 7 . 1 1 103 103 GLY N N 103 107.574 107.574 107.213 0.361 18712 4206 1 7 . 1 1 103 103 GLY CA C 103 46.328 46.328 43.643 2.685 18712 4207 1 7 . 1 1 103 103 GLY H H 103 8.075 8.075 7.594 0.481 18712 4208 1 7 . 1 1 104 104 ILE N N 104 122.219 122.219 118.657 3.562 18712 4209 1 7 . 1 1 104 104 ILE HA H 104 5.075 5.075 4.392 0.683 18712 4210 1 7 . 1 1 104 104 ILE CA C 104 58.281 58.281 60.098 -1.817 18712 4211 1 7 . 1 1 104 104 ILE CB C 104 40.703 40.703 42.260 -1.557 18712 4212 1 7 . 1 1 104 104 ILE H H 104 8.269 8.269 7.622 0.647 18712 4213 1 7 . 1 1 105 105 ILE N N 105 124.237 124.237 124.976 -0.739 18712 4214 1 7 . 1 1 105 105 ILE HA H 105 4.312 4.312 4.218 0.094 18712 4215 1 7 . 1 1 105 105 ILE CA C 105 60.390 60.390 61.111 -0.721 18712 4216 1 7 . 1 1 105 105 ILE CB C 105 34.375 34.375 34.929 -0.554 18712 4217 1 7 . 1 1 105 105 ILE H H 105 8.965 8.965 8.332 0.633 18712 4218 1 7 . 1 1 106 106 HIS N N 106 135.053 135.053 129.131 5.922 18712 4219 1 7 . 1 1 106 106 HIS HA H 106 4.506 4.506 4.822 -0.316 18712 4220 1 7 . 1 1 106 106 HIS CA C 106 57.578 57.578 56.068 1.510 18712 4221 1 7 . 1 1 106 106 HIS CB C 106 33.672 33.672 31.580 2.092 18712 4222 1 7 . 1 1 106 106 HIS H H 106 9.604 9.604 8.496 1.108 18712 4223 1 7 . 1 1 107 107 ASP N N 107 112.528 112.528 118.406 -5.878 18712 4224 1 7 . 1 1 107 107 ASP HA H 107 4.707 4.707 4.797 -0.090 18712 4225 1 7 . 1 1 107 107 ASP CB C 107 42.812 42.812 44.991 -2.179 18712 4226 1 7 . 1 1 107 107 ASP H H 107 7.930 7.930 7.742 0.188 18712 4227 1 7 . 1 1 108 108 VAL N N 108 121.656 121.656 120.360 1.296 18712 4228 1 7 . 1 1 108 108 VAL HA H 108 5.028 5.028 4.424 0.604 18712 4229 1 7 . 1 1 108 108 VAL CA C 108 61.796 61.796 61.673 0.123 18712 4230 1 7 . 1 1 108 108 VAL CB C 108 36.484 36.484 35.594 0.890 18712 4231 1 7 . 1 1 108 108 VAL H H 108 8.325 8.325 8.334 -0.009 18712 4232 1 7 . 1 1 109 109 LYS N N 109 126.798 126.798 127.941 -1.143 18712 4233 1 7 . 1 1 109 109 LYS HA H 109 4.676 4.676 4.539 0.137 18712 4234 1 7 . 1 1 109 109 LYS CB C 109 37.187 37.187 34.874 2.313 18712 4235 1 7 . 1 1 109 109 LYS H H 109 9.417 9.417 8.410 1.007 18712 4236 1 7 . 1 1 110 110 VAL N N 110 121.892 121.892 122.944 -1.052 18712 4237 1 7 . 1 1 110 110 VAL HA H 110 4.676 4.676 4.247 0.429 18712 4238 1 7 . 1 1 110 110 VAL CB C 110 33.672 33.672 34.268 -0.596 18712 4239 1 7 . 1 1 110 110 VAL H H 110 8.206 8.206 8.220 -0.014 18712 4240 1 7 . 1 1 111 111 PHE N N 111 126.578 126.578 127.727 -1.149 18712 4241 1 7 . 1 1 111 111 PHE HA H 111 4.995 4.995 4.827 0.168 18712 4242 1 7 . 1 1 111 111 PHE CA C 111 56.172 56.172 55.666 0.506 18712 4243 1 7 . 1 1 111 111 PHE CB C 111 42.109 42.109 40.826 1.283 18712 4244 1 7 . 1 1 111 111 PHE H H 111 9.459 9.459 9.059 0.400 18712 4245 1 7 . 1 1 112 112 ASN N N 112 121.797 121.797 119.001 2.796 18712 4246 1 7 . 1 1 112 112 ASN HA H 112 5.425 5.425 5.181 0.244 18712 4247 1 7 . 1 1 112 112 ASN CA C 112 52.656 52.656 51.704 0.952 18712 4248 1 7 . 1 1 112 112 ASN CB C 112 42.109 42.109 42.161 -0.052 18712 4249 1 7 . 1 1 112 112 ASN H H 112 10.663 10.663 8.345 2.318 18712 4250 1 7 . 1 1 113 113 ARG N N 113 130.516 130.516 125.303 5.213 18712 4251 1 7 . 1 1 113 113 ARG HA H 113 4.435 4.435 4.469 -0.034 18712 4252 1 7 . 1 1 113 113 ARG CA C 113 59.687 59.687 58.821 0.866 18712 4253 1 7 . 1 1 113 113 ARG CB C 113 30.859 30.859 30.067 0.792 18712 4254 1 7 . 1 1 113 113 ARG H H 113 9.138 9.138 8.979 0.159 18712 4255 1 7 . 1 1 114 114 GLU N N 114 119.008 119.008 119.232 -0.224 18712 4256 1 7 . 1 1 114 114 GLU HA H 114 4.142 4.142 4.103 0.039 18712 4257 1 7 . 1 1 114 114 GLU CA C 114 58.281 58.281 58.340 -0.060 18712 4258 1 7 . 1 1 114 114 GLU CB C 114 29.453 29.453 29.019 0.434 18712 4259 1 7 . 1 1 114 114 GLU H H 114 8.924 8.924 8.204 0.720 18712 4260 1 7 . 1 1 115 115 ASP N N 115 116.593 116.593 117.244 -0.651 18712 4261 1 7 . 1 1 115 115 ASP HA H 115 4.869 4.869 4.573 0.296 18712 4262 1 7 . 1 1 115 115 ASP CA C 115 54.062 54.062 54.172 -0.111 18712 4263 1 7 . 1 1 115 115 ASP CB C 115 42.109 42.109 41.568 0.541 18712 4264 1 7 . 1 1 115 115 ASP H H 115 7.356 7.356 7.513 -0.157 18712 4265 1 7 . 1 1 116 116 GLY N N 116 106.689 106.689 107.784 -1.095 18712 4266 1 7 . 1 1 116 116 GLY CA C 116 44.922 44.922 44.627 0.296 18712 4267 1 7 . 1 1 116 116 GLY H H 116 7.918 7.918 7.776 0.142 18712 4268 1 7 . 1 1 117 117 ASP N N 117 119.329 119.329 121.919 -2.590 18712 4269 1 7 . 1 1 117 117 ASP HA H 117 4.632 4.632 4.663 -0.031 18712 4270 1 7 . 1 1 117 117 ASP CA C 117 55.468 55.468 53.927 1.541 18712 4271 1 7 . 1 1 117 117 ASP CB C 117 41.406 41.406 41.658 -0.252 18712 4272 1 7 . 1 1 117 117 ASP H H 117 7.220 7.220 7.825 -0.605 18712 4273 1 7 . 1 1 118 118 GLU N N 118 123.484 123.484 125.109 -1.625 18712 4274 1 7 . 1 1 118 118 GLU HA H 118 4.240 4.240 4.325 -0.085 18712 4275 1 7 . 1 1 118 118 GLU CA C 118 56.875 56.875 57.020 -0.145 18712 4276 1 7 . 1 1 118 118 GLU CB C 118 29.453 29.453 30.476 -1.023 18712 4277 1 7 . 1 1 118 118 GLU H H 118 8.626 8.626 8.527 0.099 18712 4278 1 7 . 1 1 119 119 LEU N N 119 129.139 129.139 127.180 1.959 18712 4279 1 7 . 1 1 119 119 LEU HA H 119 4.759 4.759 4.803 -0.044 18712 4280 1 7 . 1 1 119 119 LEU CB C 119 44.219 44.219 43.773 0.446 18712 4281 1 7 . 1 1 119 119 LEU H H 119 8.106 8.106 8.304 -0.198 18712 4282 1 7 . 1 1 120 120 PRO CB C 120 31.914 31.914 31.419 0.494 18712 4283 1 7 . 1 1 121 121 PRO HA H 121 4.269 4.269 4.338 -0.069 18712 4284 1 7 . 1 1 121 121 PRO CA C 121 63.906 63.906 63.653 0.253 18712 4285 1 7 . 1 1 121 121 PRO CB C 121 31.563 31.563 31.178 0.385 18712 4286 1 7 . 1 1 122 122 GLY N N 122 112.656 112.656 111.259 1.397 18712 4287 1 7 . 1 1 122 122 GLY CA C 122 45.625 45.625 44.944 0.681 18712 4288 1 7 . 1 1 122 122 GLY H H 122 8.827 8.827 8.756 0.071 18712 4289 1 7 . 1 1 123 123 VAL N N 123 119.406 119.406 118.549 0.857 18712 4290 1 7 . 1 1 123 123 VAL HA H 123 4.017 4.017 4.606 -0.589 18712 4291 1 7 . 1 1 123 123 VAL CA C 123 62.851 62.851 61.234 1.617 18712 4292 1 7 . 1 1 123 123 VAL CB C 123 32.266 32.266 34.017 -1.751 18712 4293 1 7 . 1 1 123 123 VAL H H 123 7.845 7.845 7.390 0.455 18712 4294 1 7 . 1 1 124 124 ASN N N 124 124.609 124.609 121.689 2.920 18712 4295 1 7 . 1 1 124 124 ASN HA H 124 4.877 4.877 4.973 -0.096 18712 4296 1 7 . 1 1 124 124 ASN CA C 124 54.765 54.765 53.702 1.063 18712 4297 1 7 . 1 1 124 124 ASN CB C 124 40.000 40.000 41.433 -1.433 18712 4298 1 7 . 1 1 124 124 ASN H H 124 9.206 9.206 8.682 0.524 18712 4299 1 7 . 1 1 125 125 GLN N N 125 117.959 117.959 115.279 2.680 18712 4300 1 7 . 1 1 125 125 GLN HA H 125 5.234 5.234 4.655 0.579 18712 4301 1 7 . 1 1 125 125 GLN CA C 125 56.172 56.172 55.254 0.918 18712 4302 1 7 . 1 1 125 125 GLN CB C 125 33.672 33.672 33.176 0.496 18712 4303 1 7 . 1 1 125 125 GLN H H 125 7.756 7.756 7.620 0.136 18712 4304 1 7 . 1 1 126 126 LEU N N 126 125.559 125.559 122.327 3.232 18712 4305 1 7 . 1 1 126 126 LEU HA H 126 5.261 5.261 5.018 0.243 18712 4306 1 7 . 1 1 126 126 LEU CA C 126 54.765 54.765 54.738 0.027 18712 4307 1 7 . 1 1 126 126 LEU CB C 126 47.734 47.734 46.261 1.473 18712 4308 1 7 . 1 1 126 126 LEU H H 126 8.866 8.866 8.345 0.521 18712 4309 1 7 . 1 1 127 127 VAL N N 127 126.578 126.578 125.748 0.830 18712 4310 1 7 . 1 1 127 127 VAL HA H 127 5.127 5.127 4.626 0.501 18712 4311 1 7 . 1 1 127 127 VAL CA C 127 60.390 60.390 59.925 0.465 18712 4312 1 7 . 1 1 127 127 VAL CB C 127 35.078 35.078 35.327 -0.249 18712 4313 1 7 . 1 1 127 127 VAL H H 127 9.367 9.367 9.051 0.316 18712 4314 1 7 . 1 1 128 128 ARG N N 128 126.578 126.578 125.486 1.092 18712 4315 1 7 . 1 1 128 128 ARG HA H 128 5.259 5.259 5.122 0.137 18712 4316 1 7 . 1 1 128 128 ARG CA C 128 54.765 54.765 53.838 0.927 18712 4317 1 7 . 1 1 128 128 ARG CB C 128 33.672 33.672 34.546 -0.874 18712 4318 1 7 . 1 1 128 128 ARG H H 128 9.502 9.502 8.761 0.741 18712 4319 1 7 . 1 1 129 129 VAL N N 129 123.977 123.977 118.561 5.416 18712 4320 1 7 . 1 1 129 129 VAL HA H 129 4.489 4.489 4.469 0.020 18712 4321 1 7 . 1 1 129 129 VAL CA C 129 61.093 61.093 61.224 -0.131 18712 4322 1 7 . 1 1 129 129 VAL CB C 129 35.078 35.078 34.761 0.317 18712 4323 1 7 . 1 1 129 129 VAL H H 129 9.051 9.051 8.157 0.894 18712 4324 1 7 . 1 1 130 130 TYR N N 130 124.673 124.673 122.261 2.412 18712 4325 1 7 . 1 1 130 130 TYR HA H 130 5.419 5.419 5.076 0.343 18712 4326 1 7 . 1 1 130 130 TYR CA C 130 56.172 56.172 56.541 -0.369 18712 4327 1 7 . 1 1 130 130 TYR CB C 130 39.297 39.297 40.129 -0.832 18712 4328 1 7 . 1 1 130 130 TYR H H 130 8.650 8.650 8.767 -0.117 18712 4329 1 7 . 1 1 131 131 ILE N N 131 125.227 125.227 123.897 1.330 18712 4330 1 7 . 1 1 131 131 ILE HA H 131 4.869 4.869 4.751 0.118 18712 4331 1 7 . 1 1 131 131 ILE CB C 131 40.000 40.000 42.229 -2.229 18712 4332 1 7 . 1 1 131 131 ILE H H 131 9.509 9.509 8.930 0.579 18712 4333 1 7 . 1 1 132 132 VAL N N 132 126.859 126.859 122.620 4.239 18712 4334 1 7 . 1 1 132 132 VAL HA H 132 4.729 4.729 5.095 -0.366 18712 4335 1 7 . 1 1 132 132 VAL CA C 132 61.093 61.093 58.786 2.307 18712 4336 1 7 . 1 1 132 132 VAL CB C 132 33.672 33.672 32.891 0.781 18712 4337 1 7 . 1 1 132 132 VAL H H 132 9.606 9.606 8.037 1.569 18712 4338 1 7 . 1 1 133 133 GLN N N 133 128.406 128.406 125.850 2.556 18712 4339 1 7 . 1 1 133 133 GLN HA H 133 4.751 4.751 4.415 0.336 18712 4340 1 7 . 1 1 133 133 GLN CA C 133 54.765 54.765 55.097 -0.332 18712 4341 1 7 . 1 1 133 133 GLN CB C 133 31.563 31.563 28.978 2.585 18712 4342 1 7 . 1 1 133 133 GLN H H 133 9.153 9.153 8.251 0.902 18712 4343 1 7 . 1 1 134 134 LYS N N 134 122.929 122.929 127.068 -4.139 18712 4344 1 7 . 1 1 134 134 LYS HA H 134 4.725 4.725 4.136 0.589 18712 4345 1 7 . 1 1 134 134 LYS CA C 134 56.172 56.172 57.085 -0.913 18712 4346 1 7 . 1 1 134 134 LYS CB C 134 33.320 33.320 32.936 0.384 18712 4347 1 7 . 1 1 134 134 LYS H H 134 8.561 8.561 8.543 0.018 18712 4348 1 7 . 1 1 135 135 ARG N N 135 123.484 123.484 123.612 -0.128 18712 4349 1 7 . 1 1 135 135 ARG HA H 135 4.503 4.503 4.187 0.316 18712 4350 1 7 . 1 1 135 135 ARG CA C 135 55.468 55.468 56.586 -1.118 18712 4351 1 7 . 1 1 135 135 ARG CB C 135 32.266 32.266 30.753 1.513 18712 4352 1 7 . 1 1 135 135 ARG H H 135 8.596 8.596 8.424 0.172 18712 4353 1 7 . 1 1 136 136 LYS N N 136 123.906 123.906 119.774 4.132 18712 4354 1 7 . 1 1 136 136 LYS HA H 136 4.467 4.467 4.464 0.003 18712 4355 1 7 . 1 1 136 136 LYS CA C 136 56.172 56.172 55.155 1.017 18712 4356 1 7 . 1 1 136 136 LYS CB C 136 32.969 32.969 35.566 -2.597 18712 4357 1 7 . 1 1 136 136 LYS H H 136 8.608 8.608 8.330 0.278 18712 4358 1 7 . 1 1 137 137 ILE N N 137 123.571 123.571 119.756 3.815 18712 4359 1 7 . 1 1 137 137 ILE HA H 137 4.184 4.184 3.996 0.188 18712 4360 1 7 . 1 1 137 137 ILE CA C 137 61.093 61.093 61.492 -0.399 18712 4361 1 7 . 1 1 137 137 ILE CB C 137 38.594 38.594 38.367 0.227 18712 4362 1 7 . 1 1 137 137 ILE H H 137 8.353 8.353 8.160 0.193 18712 4363 1 7 . 1 1 138 138 SER N N 138 119.547 119.547 118.534 1.013 18712 4364 1 7 . 1 1 138 138 SER HA H 138 4.503 4.503 4.504 -0.001 18712 4365 1 7 . 1 1 138 138 SER CA C 138 58.281 58.281 58.639 -0.358 18712 4366 1 7 . 1 1 138 138 SER CB C 138 63.906 63.906 62.792 1.114 18712 4367 1 7 . 1 1 138 138 SER H H 138 8.410 8.410 8.300 0.110 18712 4368 1 7 . 1 1 139 139 GLU N N 139 123.281 123.281 125.317 -2.036 18712 4369 1 7 . 1 1 139 139 GLU HA H 139 4.307 4.307 4.641 -0.334 18712 4370 1 7 . 1 1 139 139 GLU CA C 139 56.875 56.875 56.076 0.799 18712 4371 1 7 . 1 1 139 139 GLU CB C 139 30.156 30.156 30.642 -0.486 18712 4372 1 7 . 1 1 139 139 GLU H H 139 8.489 8.489 8.671 -0.182 18712 4373 1 7 . 1 1 140 140 GLY N N 140 109.792 109.792 112.135 -2.343 18712 4374 1 7 . 1 1 140 140 GLY CA C 140 45.625 45.625 44.975 0.650 18712 4375 1 7 . 1 1 140 140 GLY H H 140 8.418 8.418 8.879 -0.461 18712 4376 1 8 . 1 1 4 4 VAL N N 4 119.125 119.125 120.121 -0.996 18712 4377 1 8 . 1 1 4 4 VAL HA H 4 4.070 4.070 4.300 -0.230 18712 4378 1 8 . 1 1 4 4 VAL CA C 4 62.500 62.500 61.142 1.358 18712 4379 1 8 . 1 1 4 4 VAL CB C 4 32.969 32.969 33.960 -0.991 18712 4380 1 8 . 1 1 4 4 VAL H H 4 7.998 7.998 8.353 -0.355 18712 4381 1 8 . 1 1 5 5 TYR N N 5 122.640 122.640 122.670 -0.030 18712 4382 1 8 . 1 1 5 5 TYR HA H 5 4.674 4.674 4.880 -0.205 18712 4383 1 8 . 1 1 5 5 TYR CA C 5 58.281 58.281 55.822 2.459 18712 4384 1 8 . 1 1 5 5 TYR CB C 5 38.594 38.594 37.563 1.031 18712 4385 1 8 . 1 1 5 5 TYR H H 5 8.305 8.305 7.895 0.410 18712 4386 1 8 . 1 1 6 6 THR N N 6 114.861 114.861 114.187 0.674 18712 4387 1 8 . 1 1 6 6 THR HA H 6 4.548 4.548 4.563 -0.015 18712 4388 1 8 . 1 1 6 6 THR CA C 6 61.796 61.796 59.684 2.112 18712 4389 1 8 . 1 1 6 6 THR CB C 6 70.234 70.234 70.539 -0.305 18712 4390 1 8 . 1 1 6 6 THR H H 6 8.003 8.003 7.849 0.154 18712 4391 1 8 . 1 1 7 7 SER N N 7 118.140 118.140 114.896 3.244 18712 4392 1 8 . 1 1 7 7 SER HA H 7 4.600 4.600 4.480 0.120 18712 4393 1 8 . 1 1 7 7 SER CA C 7 57.578 57.578 57.996 -0.418 18712 4394 1 8 . 1 1 7 7 SER CB C 7 64.609 64.609 63.244 1.365 18712 4395 1 8 . 1 1 7 7 SER H H 7 8.487 8.487 8.097 0.390 18712 4396 1 8 . 1 1 8 8 ILE N N 8 121.375 121.375 119.382 1.993 18712 4397 1 8 . 1 1 8 8 ILE HA H 8 4.627 4.627 3.967 0.660 18712 4398 1 8 . 1 1 8 8 ILE CA C 8 60.390 60.390 60.696 -0.306 18712 4399 1 8 . 1 1 8 8 ILE CB C 8 40.000 40.000 37.783 2.217 18712 4400 1 8 . 1 1 8 8 ILE H H 8 8.139 8.139 8.028 0.111 18712 4401 1 8 . 1 1 9 9 HIS N N 9 125.734 125.734 122.011 3.723 18712 4402 1 8 . 1 1 9 9 HIS HA H 9 4.768 4.768 4.710 0.058 18712 4403 1 8 . 1 1 9 9 HIS CB C 9 32.617 32.617 33.837 -1.220 18712 4404 1 8 . 1 1 9 9 HIS H H 9 8.743 8.743 8.659 0.084 18712 4405 1 8 . 1 1 10 10 ILE N N 10 125.875 125.875 122.300 3.575 18712 4406 1 8 . 1 1 10 10 ILE HA H 10 4.806 4.806 4.723 0.083 18712 4407 1 8 . 1 1 10 10 ILE CB C 10 39.297 39.297 38.870 0.428 18712 4408 1 8 . 1 1 10 10 ILE H H 10 8.035 8.035 8.521 -0.486 18712 4409 1 8 . 1 1 11 11 GLU N N 11 129.438 129.438 128.067 1.371 18712 4410 1 8 . 1 1 11 11 GLU HA H 11 4.472 4.472 4.357 0.115 18712 4411 1 8 . 1 1 11 11 GLU CA C 11 54.062 54.062 54.640 -0.578 18712 4412 1 8 . 1 1 11 11 GLU CB C 11 32.617 32.617 31.800 0.817 18712 4413 1 8 . 1 1 11 11 GLU H H 11 8.934 8.934 8.998 -0.064 18712 4414 1 8 . 1 1 12 12 GLU N N 12 123.983 123.983 120.647 3.336 18712 4415 1 8 . 1 1 12 12 GLU HA H 12 4.752 4.752 4.714 0.038 18712 4416 1 8 . 1 1 12 12 GLU CA C 12 54.062 54.062 55.242 -1.180 18712 4417 1 8 . 1 1 12 12 GLU CB C 12 32.617 32.617 31.380 1.238 18712 4418 1 8 . 1 1 12 12 GLU H H 12 8.192 8.192 8.243 -0.051 18712 4419 1 8 . 1 1 13 13 TYR N N 13 122.826 122.826 123.584 -0.758 18712 4420 1 8 . 1 1 13 13 TYR HA H 13 4.741 4.741 4.719 0.022 18712 4421 1 8 . 1 1 13 13 TYR CB C 13 42.812 42.812 41.313 1.499 18712 4422 1 8 . 1 1 13 13 TYR H H 13 8.926 8.926 8.192 0.734 18712 4423 1 8 . 1 1 14 14 GLU N N 14 119.329 119.329 122.687 -3.358 18712 4424 1 8 . 1 1 14 14 GLU HA H 14 5.647 5.647 4.601 1.046 18712 4425 1 8 . 1 1 14 14 GLU CA C 14 54.765 54.765 55.410 -0.645 18712 4426 1 8 . 1 1 14 14 GLU CB C 14 34.375 34.375 32.532 1.843 18712 4427 1 8 . 1 1 14 14 GLU H H 14 8.716 8.716 8.647 0.069 18712 4428 1 8 . 1 1 15 15 SER N N 15 116.172 116.172 117.679 -1.507 18712 4429 1 8 . 1 1 15 15 SER HA H 15 4.616 4.616 4.731 -0.115 18712 4430 1 8 . 1 1 15 15 SER CA C 15 57.578 57.578 58.285 -0.707 18712 4431 1 8 . 1 1 15 15 SER CB C 15 66.015 66.015 65.404 0.611 18712 4432 1 8 . 1 1 15 15 SER H H 15 8.922 8.922 8.251 0.671 18712 4433 1 8 . 1 1 16 16 GLU N N 16 125.172 125.172 124.127 1.045 18712 4434 1 8 . 1 1 16 16 GLU HA H 16 5.082 5.082 4.845 0.237 18712 4435 1 8 . 1 1 16 16 GLU CA C 16 54.062 54.062 53.852 0.210 18712 4436 1 8 . 1 1 16 16 GLU CB C 16 32.969 32.969 33.306 -0.337 18712 4437 1 8 . 1 1 16 16 GLU H H 16 8.587 8.587 8.241 0.346 18712 4438 1 8 . 1 1 17 17 ALA N N 17 124.890 124.890 127.801 -2.911 18712 4439 1 8 . 1 1 17 17 ALA HA H 17 4.969 4.969 4.399 0.570 18712 4440 1 8 . 1 1 17 17 ALA CA C 17 50.547 50.547 51.700 -1.153 18712 4441 1 8 . 1 1 17 17 ALA CB C 17 19.610 19.610 19.207 0.403 18712 4442 1 8 . 1 1 17 17 ALA H H 17 9.000 9.000 8.329 0.671 18712 4443 1 8 . 1 1 18 18 ARG N N 18 125.376 125.376 124.881 0.495 18712 4444 1 8 . 1 1 18 18 ARG HA H 18 5.175 5.175 4.966 0.209 18712 4445 1 8 . 1 1 18 18 ARG CA C 18 54.765 54.765 55.178 -0.413 18712 4446 1 8 . 1 1 18 18 ARG CB C 18 34.375 34.375 31.468 2.907 18712 4447 1 8 . 1 1 18 18 ARG H H 18 9.624 9.624 7.970 1.654 18712 4448 1 8 . 1 1 19 19 ASP N N 19 119.828 119.828 123.681 -3.853 18712 4449 1 8 . 1 1 19 19 ASP HA H 19 4.685 4.685 4.517 0.168 18712 4450 1 8 . 1 1 19 19 ASP CA C 19 55.117 55.117 54.457 0.660 18712 4451 1 8 . 1 1 19 19 ASP CB C 19 41.406 41.406 41.105 0.301 18712 4452 1 8 . 1 1 19 19 ASP H H 19 8.420 8.420 8.336 0.084 18712 4453 1 8 . 1 1 20 20 THR N N 20 112.948 112.948 114.212 -1.264 18712 4454 1 8 . 1 1 20 20 THR HA H 20 4.979 4.979 4.328 0.651 18712 4455 1 8 . 1 1 20 20 THR CA C 20 60.390 60.390 60.823 -0.433 18712 4456 1 8 . 1 1 20 20 THR CB C 20 73.046 73.046 70.303 2.743 18712 4457 1 8 . 1 1 20 20 THR H H 20 7.602 7.602 7.999 -0.397 18712 4458 1 8 . 1 1 21 21 LYS HA H 21 4.146 4.146 4.389 -0.243 18712 4459 1 8 . 1 1 21 21 LYS CA C 21 58.984 58.984 57.873 1.111 18712 4460 1 8 . 1 1 21 21 LYS CB C 21 32.266 32.266 31.465 0.801 18712 4461 1 8 . 1 1 22 22 LEU N N 22 117.346 117.346 119.765 -2.419 18712 4462 1 8 . 1 1 22 22 LEU HA H 22 4.532 4.532 4.419 0.113 18712 4463 1 8 . 1 1 22 22 LEU CA C 22 54.062 54.062 54.609 -0.547 18712 4464 1 8 . 1 1 22 22 LEU CB C 22 42.812 42.812 42.665 0.147 18712 4465 1 8 . 1 1 22 22 LEU H H 22 7.848 7.848 7.354 0.494 18712 4466 1 8 . 1 1 23 23 GLY N N 23 108.437 108.437 109.028 -0.591 18712 4467 1 8 . 1 1 23 23 GLY CA C 23 43.516 43.516 44.228 -0.712 18712 4468 1 8 . 1 1 23 23 GLY H H 23 7.407 7.407 7.439 -0.032 18712 4469 1 8 . 1 1 24 24 PRO HA H 24 4.894 4.894 4.592 0.302 18712 4470 1 8 . 1 1 24 24 PRO CA C 24 63.906 63.906 62.389 1.517 18712 4471 1 8 . 1 1 24 24 PRO CB C 24 31.563 31.563 33.316 -1.753 18712 4472 1 8 . 1 1 25 25 GLU N N 25 118.281 118.281 117.817 0.464 18712 4473 1 8 . 1 1 25 25 GLU HA H 25 4.621 4.621 4.434 0.187 18712 4474 1 8 . 1 1 25 25 GLU CA C 25 56.523 56.523 56.982 -0.459 18712 4475 1 8 . 1 1 25 25 GLU CB C 25 32.266 32.266 31.307 0.959 18712 4476 1 8 . 1 1 25 25 GLU H H 25 8.341 8.341 8.742 -0.401 18712 4477 1 8 . 1 1 26 26 GLU N N 26 119.406 119.406 118.182 1.224 18712 4478 1 8 . 1 1 26 26 GLU HA H 26 4.710 4.710 4.516 0.194 18712 4479 1 8 . 1 1 26 26 GLU CA C 26 54.765 54.765 55.508 -0.744 18712 4480 1 8 . 1 1 26 26 GLU CB C 26 33.672 33.672 31.220 2.452 18712 4481 1 8 . 1 1 26 26 GLU H H 26 8.336 8.336 7.815 0.521 18712 4482 1 8 . 1 1 27 27 ILE N N 27 127.472 127.472 122.129 5.343 18712 4483 1 8 . 1 1 27 27 ILE HA H 27 5.009 5.009 4.179 0.830 18712 4484 1 8 . 1 1 27 27 ILE CA C 27 60.390 60.390 61.775 -1.385 18712 4485 1 8 . 1 1 27 27 ILE CB C 27 37.187 37.187 38.359 -1.172 18712 4486 1 8 . 1 1 27 27 ILE H H 27 8.405 8.405 8.432 -0.027 18712 4487 1 8 . 1 1 28 28 THR N N 28 124.387 124.387 120.608 3.779 18712 4488 1 8 . 1 1 28 28 THR HA H 28 4.492 4.492 4.657 -0.165 18712 4489 1 8 . 1 1 28 28 THR CA C 28 59.687 59.687 60.292 -0.605 18712 4490 1 8 . 1 1 28 28 THR CB C 28 68.125 68.125 70.619 -2.494 18712 4491 1 8 . 1 1 28 28 THR H H 28 8.191 8.191 8.319 -0.128 18712 4492 1 8 . 1 1 29 29 ARG N N 29 120.568 120.568 121.459 -0.891 18712 4493 1 8 . 1 1 29 29 ARG HA H 29 4.202 4.202 4.634 -0.432 18712 4494 1 8 . 1 1 29 29 ARG CA C 29 55.468 55.468 55.687 -0.219 18712 4495 1 8 . 1 1 29 29 ARG CB C 29 32.266 32.266 31.368 0.898 18712 4496 1 8 . 1 1 29 29 ARG H H 29 7.995 7.995 8.489 -0.494 18712 4497 1 8 . 1 1 30 30 ASP N N 30 123.906 123.906 122.558 1.348 18712 4498 1 8 . 1 1 30 30 ASP HA H 30 4.619 4.619 4.773 -0.154 18712 4499 1 8 . 1 1 30 30 ASP CA C 30 53.359 53.359 53.924 -0.565 18712 4500 1 8 . 1 1 30 30 ASP CB C 30 38.594 38.594 42.169 -3.575 18712 4501 1 8 . 1 1 30 30 ASP H H 30 8.784 8.784 8.459 0.325 18712 4502 1 8 . 1 1 31 31 ILE N N 31 123.422 123.422 122.340 1.082 18712 4503 1 8 . 1 1 31 31 ILE HA H 31 4.063 4.063 4.467 -0.404 18712 4504 1 8 . 1 1 31 31 ILE CA C 31 57.578 57.578 57.949 -0.371 18712 4505 1 8 . 1 1 31 31 ILE CB C 31 40.703 40.703 38.134 2.569 18712 4506 1 8 . 1 1 31 31 ILE H H 31 7.404 7.404 7.897 -0.493 18712 4507 1 8 . 1 1 32 32 PRO HA H 32 4.273 4.273 4.531 -0.258 18712 4508 1 8 . 1 1 32 32 PRO CA C 32 63.554 63.554 62.964 0.590 18712 4509 1 8 . 1 1 32 32 PRO CB C 32 32.266 32.266 32.487 -0.221 18712 4510 1 8 . 1 1 33 33 ASN N N 33 114.027 114.027 113.988 0.039 18712 4511 1 8 . 1 1 33 33 ASN HA H 33 4.269 4.269 4.352 -0.083 18712 4512 1 8 . 1 1 33 33 ASN CA C 33 55.117 55.117 53.976 1.141 18712 4513 1 8 . 1 1 33 33 ASN CB C 33 37.891 37.891 37.187 0.704 18712 4514 1 8 . 1 1 33 33 ASN H H 33 8.880 8.880 8.635 0.245 18712 4515 1 8 . 1 1 34 34 VAL N N 34 117.111 117.111 120.518 -3.407 18712 4516 1 8 . 1 1 34 34 VAL HA H 34 4.249 4.249 4.160 0.089 18712 4517 1 8 . 1 1 34 34 VAL CA C 34 62.148 62.148 62.051 0.097 18712 4518 1 8 . 1 1 34 34 VAL CB C 34 33.672 33.672 33.184 0.488 18712 4519 1 8 . 1 1 34 34 VAL H H 34 7.328 7.328 7.358 -0.030 18712 4520 1 8 . 1 1 35 35 GLY N N 35 113.600 113.600 112.935 0.665 18712 4521 1 8 . 1 1 35 35 GLY CA C 35 44.219 44.219 44.638 -0.419 18712 4522 1 8 . 1 1 35 35 GLY H H 35 8.653 8.653 8.456 0.197 18712 4523 1 8 . 1 1 36 36 GLU N N 36 118.562 118.562 120.757 -2.195 18712 4524 1 8 . 1 1 36 36 GLU HA H 36 3.888 3.888 4.108 -0.220 18712 4525 1 8 . 1 1 36 36 GLU CA C 36 59.687 59.687 59.081 0.606 18712 4526 1 8 . 1 1 36 36 GLU CB C 36 29.453 29.453 29.802 -0.349 18712 4527 1 8 . 1 1 36 36 GLU H H 36 8.457 8.457 8.800 -0.343 18712 4528 1 8 . 1 1 37 37 ASP N N 37 118.140 118.140 118.293 -0.153 18712 4529 1 8 . 1 1 37 37 ASP HA H 37 4.335 4.335 4.454 -0.119 18712 4530 1 8 . 1 1 37 37 ASP CA C 37 56.875 56.875 56.346 0.529 18712 4531 1 8 . 1 1 37 37 ASP CB C 37 40.000 40.000 39.506 0.494 18712 4532 1 8 . 1 1 37 37 ASP H H 37 8.728 8.728 8.538 0.190 18712 4533 1 8 . 1 1 38 38 ALA N N 38 120.752 120.752 120.890 -0.138 18712 4534 1 8 . 1 1 38 38 ALA HA H 38 4.288 4.288 4.137 0.151 18712 4535 1 8 . 1 1 38 38 ALA CA C 38 53.359 53.359 53.962 -0.604 18712 4536 1 8 . 1 1 38 38 ALA CB C 38 18.555 18.555 18.597 -0.042 18712 4537 1 8 . 1 1 38 38 ALA H H 38 7.642 7.642 8.305 -0.663 18712 4538 1 8 . 1 1 39 39 LEU N N 39 117.015 117.015 111.140 5.875 18712 4539 1 8 . 1 1 39 39 LEU HA H 39 4.295 4.295 4.743 -0.448 18712 4540 1 8 . 1 1 39 39 LEU CA C 39 54.765 54.765 53.997 0.768 18712 4541 1 8 . 1 1 39 39 LEU CB C 39 43.164 43.164 41.794 1.370 18712 4542 1 8 . 1 1 39 39 LEU H H 39 7.446 7.446 7.065 0.381 18712 4543 1 8 . 1 1 40 40 ARG N N 40 118.017 118.017 118.929 -0.912 18712 4544 1 8 . 1 1 40 40 ARG HA H 40 4.064 4.064 4.171 -0.107 18712 4545 1 8 . 1 1 40 40 ARG CA C 40 59.687 59.687 58.160 1.526 18712 4546 1 8 . 1 1 40 40 ARG CB C 40 30.508 30.508 30.511 -0.003 18712 4547 1 8 . 1 1 40 40 ARG H H 40 7.079 7.079 7.509 -0.430 18712 4548 1 8 . 1 1 41 41 ASN N N 41 115.439 115.439 115.481 -0.042 18712 4549 1 8 . 1 1 41 41 ASN HA H 41 4.996 4.996 4.709 0.287 18712 4550 1 8 . 1 1 41 41 ASN CA C 41 53.359 53.359 52.884 0.475 18712 4551 1 8 . 1 1 41 41 ASN CB C 41 39.297 39.297 40.384 -1.087 18712 4552 1 8 . 1 1 41 41 ASN H H 41 9.057 9.057 8.180 0.877 18712 4553 1 8 . 1 1 42 42 LEU N N 42 118.703 118.703 122.369 -3.666 18712 4554 1 8 . 1 1 42 42 LEU HA H 42 4.403 4.403 4.107 0.296 18712 4555 1 8 . 1 1 42 42 LEU CA C 42 54.062 54.062 55.966 -1.904 18712 4556 1 8 . 1 1 42 42 LEU CB C 42 42.812 42.812 42.238 0.574 18712 4557 1 8 . 1 1 42 42 LEU H H 42 7.719 7.719 7.870 -0.151 18712 4558 1 8 . 1 1 43 43 ASP N N 43 122.791 122.791 127.051 -4.260 18712 4559 1 8 . 1 1 43 43 ASP HA H 43 4.481 4.481 4.742 -0.261 18712 4560 1 8 . 1 1 43 43 ASP CA C 43 52.656 52.656 52.840 -0.184 18712 4561 1 8 . 1 1 43 43 ASP CB C 43 39.648 39.648 41.696 -2.048 18712 4562 1 8 . 1 1 43 43 ASP H H 43 8.933 8.933 8.182 0.751 18712 4563 1 8 . 1 1 44 44 ASP N N 44 114.917 114.917 119.331 -4.414 18712 4564 1 8 . 1 1 44 44 ASP HA H 44 4.278 4.278 4.433 -0.155 18712 4565 1 8 . 1 1 44 44 ASP CA C 44 56.875 56.875 56.805 0.070 18712 4566 1 8 . 1 1 44 44 ASP CB C 44 40.000 40.000 40.647 -0.647 18712 4567 1 8 . 1 1 44 44 ASP H H 44 8.281 8.281 8.793 -0.512 18712 4568 1 8 . 1 1 45 45 ARG N N 45 118.140 118.140 116.447 1.693 18712 4569 1 8 . 1 1 45 45 ARG HA H 45 4.366 4.366 4.181 0.185 18712 4570 1 8 . 1 1 45 45 ARG CA C 45 55.117 55.117 56.771 -1.654 18712 4571 1 8 . 1 1 45 45 ARG CB C 45 30.859 30.859 30.488 0.371 18712 4572 1 8 . 1 1 45 45 ARG H H 45 8.500 8.500 8.393 0.107 18712 4573 1 8 . 1 1 46 46 GLY N N 46 101.828 101.828 106.547 -4.719 18712 4574 1 8 . 1 1 46 46 GLY CA C 46 45.273 45.273 45.004 0.269 18712 4575 1 8 . 1 1 46 46 GLY H H 46 7.680 7.680 7.927 -0.247 18712 4576 1 8 . 1 1 47 47 VAL N N 47 119.955 119.955 118.614 1.341 18712 4577 1 8 . 1 1 47 47 VAL HA H 47 4.406 4.406 4.366 0.040 18712 4578 1 8 . 1 1 47 47 VAL CA C 47 61.796 61.796 59.107 2.689 18712 4579 1 8 . 1 1 47 47 VAL CB C 47 33.672 33.672 34.230 -0.558 18712 4580 1 8 . 1 1 47 47 VAL H H 47 8.007 8.007 7.334 0.673 18712 4581 1 8 . 1 1 48 48 ILE N N 48 128.406 128.406 129.028 -0.622 18712 4582 1 8 . 1 1 48 48 ILE HA H 48 4.202 4.202 4.022 0.180 18712 4583 1 8 . 1 1 48 48 ILE CA C 48 59.687 59.687 61.325 -1.638 18712 4584 1 8 . 1 1 48 48 ILE CB C 48 38.945 38.945 37.645 1.300 18712 4585 1 8 . 1 1 48 48 ILE H H 48 8.145 8.145 7.953 0.192 18712 4586 1 8 . 1 1 49 49 ARG N N 49 123.765 123.765 125.926 -2.161 18712 4587 1 8 . 1 1 49 49 ARG HA H 49 4.328 4.328 4.195 0.133 18712 4588 1 8 . 1 1 49 49 ARG CA C 49 56.875 56.875 55.929 0.946 18712 4589 1 8 . 1 1 49 49 ARG CB C 49 31.563 31.563 31.529 0.034 18712 4590 1 8 . 1 1 49 49 ARG H H 49 7.447 7.447 8.242 -0.794 18712 4591 1 8 . 1 1 50 50 ILE N N 50 121.094 121.094 120.078 1.016 18712 4592 1 8 . 1 1 50 50 ILE HA H 50 3.414 3.414 3.833 -0.419 18712 4593 1 8 . 1 1 50 50 ILE CA C 50 64.609 64.609 61.509 3.100 18712 4594 1 8 . 1 1 50 50 ILE H H 50 8.284 8.284 8.220 0.064 18712 4595 1 8 . 1 1 51 51 GLY N N 51 115.791 115.791 113.289 2.502 18712 4596 1 8 . 1 1 51 51 GLY CA C 51 44.922 44.922 45.149 -0.227 18712 4597 1 8 . 1 1 51 51 GLY H H 51 8.679 8.679 8.853 -0.174 18712 4598 1 8 . 1 1 52 52 ALA N N 52 122.065 122.065 122.872 -0.807 18712 4599 1 8 . 1 1 52 52 ALA HA H 52 4.246 4.246 4.588 -0.342 18712 4600 1 8 . 1 1 52 52 ALA CA C 52 52.656 52.656 50.722 1.934 18712 4601 1 8 . 1 1 52 52 ALA CB C 52 18.906 18.906 20.373 -1.467 18712 4602 1 8 . 1 1 52 52 ALA H H 52 7.496 7.496 7.533 -0.037 18712 4603 1 8 . 1 1 53 53 GLU N N 53 121.468 121.468 123.443 -1.975 18712 4604 1 8 . 1 1 53 53 GLU HA H 53 4.892 4.892 4.221 0.671 18712 4605 1 8 . 1 1 53 53 GLU CB C 53 30.508 30.508 30.290 0.218 18712 4606 1 8 . 1 1 53 53 GLU H H 53 8.427 8.427 8.601 -0.174 18712 4607 1 8 . 1 1 54 54 VAL N N 54 117.437 117.437 124.343 -6.906 18712 4608 1 8 . 1 1 54 54 VAL HA H 54 4.979 4.979 4.150 0.829 18712 4609 1 8 . 1 1 54 54 VAL CA C 54 58.632 58.632 61.103 -2.471 18712 4610 1 8 . 1 1 54 54 VAL CB C 54 35.781 35.781 32.715 3.066 18712 4611 1 8 . 1 1 54 54 VAL H H 54 9.002 9.002 8.132 0.870 18712 4612 1 8 . 1 1 55 55 LYS N N 55 123.906 123.906 123.532 0.374 18712 4613 1 8 . 1 1 55 55 LYS HA H 55 4.698 4.698 4.619 0.079 18712 4614 1 8 . 1 1 55 55 LYS CA C 55 53.359 53.359 54.847 -1.488 18712 4615 1 8 . 1 1 55 55 LYS CB C 55 35.781 35.781 34.873 0.908 18712 4616 1 8 . 1 1 55 55 LYS H H 55 9.244 9.244 7.850 1.394 18712 4617 1 8 . 1 1 56 56 ASP N N 56 118.562 118.562 121.286 -2.724 18712 4618 1 8 . 1 1 56 56 ASP HA H 56 3.764 3.764 4.473 -0.709 18712 4619 1 8 . 1 1 56 56 ASP CA C 56 56.172 56.172 54.932 1.240 18712 4620 1 8 . 1 1 56 56 ASP CB C 56 40.000 40.000 40.656 -0.656 18712 4621 1 8 . 1 1 56 56 ASP H H 56 8.176 8.176 8.512 -0.336 18712 4622 1 8 . 1 1 57 57 GLY N N 57 112.515 112.515 110.984 1.531 18712 4623 1 8 . 1 1 57 57 GLY CA C 57 45.625 45.625 45.385 0.240 18712 4624 1 8 . 1 1 57 57 GLY H H 57 8.841 8.841 8.898 -0.057 18712 4625 1 8 . 1 1 58 58 ASP N N 58 121.375 121.375 122.274 -0.899 18712 4626 1 8 . 1 1 58 58 ASP HA H 58 4.532 4.532 4.902 -0.370 18712 4627 1 8 . 1 1 58 58 ASP CA C 58 54.765 54.765 52.733 2.031 18712 4628 1 8 . 1 1 58 58 ASP CB C 58 41.055 41.055 40.363 0.692 18712 4629 1 8 . 1 1 58 58 ASP H H 58 8.209 8.209 7.730 0.479 18712 4630 1 8 . 1 1 59 59 LEU N N 59 119.828 119.828 123.021 -3.193 18712 4631 1 8 . 1 1 59 59 LEU HA H 59 3.976 3.976 4.159 -0.183 18712 4632 1 8 . 1 1 59 59 LEU CA C 59 56.875 56.875 55.538 1.337 18712 4633 1 8 . 1 1 59 59 LEU CB C 59 44.219 44.219 42.754 1.465 18712 4634 1 8 . 1 1 59 59 LEU H H 59 8.570 8.570 8.145 0.425 18712 4635 1 8 . 1 1 60 60 LEU N N 60 116.594 116.594 112.048 4.546 18712 4636 1 8 . 1 1 60 60 LEU HA H 60 4.518 4.518 3.982 0.536 18712 4637 1 8 . 1 1 60 60 LEU CB C 60 44.922 44.922 39.538 5.383 18712 4638 1 8 . 1 1 60 60 LEU H H 60 8.816 8.816 7.981 0.835 18712 4639 1 8 . 1 1 61 61 VAL N N 61 115.656 115.656 110.881 4.775 18712 4640 1 8 . 1 1 61 61 VAL HA H 61 4.618 4.618 4.471 0.147 18712 4641 1 8 . 1 1 61 61 VAL CA C 61 61.093 61.093 59.272 1.821 18712 4642 1 8 . 1 1 61 61 VAL CB C 61 36.484 36.484 35.392 1.093 18712 4643 1 8 . 1 1 61 61 VAL H H 61 7.322 7.322 7.289 0.033 18712 4644 1 8 . 1 1 62 62 GLY N N 62 117.191 117.191 111.998 5.193 18712 4645 1 8 . 1 1 62 62 GLY CA C 62 45.625 45.625 44.533 1.092 18712 4646 1 8 . 1 1 62 62 GLY H H 62 9.563 9.563 8.200 1.363 18712 4647 1 8 . 1 1 63 63 LYS N N 63 127.584 127.584 126.320 1.264 18712 4648 1 8 . 1 1 63 63 LYS HA H 63 5.328 5.328 4.612 0.716 18712 4649 1 8 . 1 1 63 63 LYS CA C 63 56.172 56.172 55.586 0.586 18712 4650 1 8 . 1 1 63 63 LYS CB C 63 35.078 35.078 33.911 1.167 18712 4651 1 8 . 1 1 63 63 LYS H H 63 8.712 8.712 7.997 0.715 18712 4652 1 8 . 1 1 64 64 VAL N N 64 114.383 114.383 121.429 -7.046 18712 4653 1 8 . 1 1 64 64 VAL HA H 64 5.523 5.523 4.935 0.588 18712 4654 1 8 . 1 1 64 64 VAL CA C 64 57.578 57.578 60.270 -2.692 18712 4655 1 8 . 1 1 64 64 VAL CB C 64 35.781 35.781 34.951 0.830 18712 4656 1 8 . 1 1 64 64 VAL H H 64 8.481 8.481 7.971 0.510 18712 4657 1 8 . 1 1 65 65 THR N N 65 118.431 118.431 116.321 2.110 18712 4658 1 8 . 1 1 65 65 THR HA H 65 4.602 4.602 4.872 -0.270 18712 4659 1 8 . 1 1 65 65 THR CA C 65 59.687 59.687 58.240 1.447 18712 4660 1 8 . 1 1 65 65 THR CB C 65 72.343 72.343 68.658 3.685 18712 4661 1 8 . 1 1 65 65 THR H H 65 8.637 8.637 8.009 0.628 18712 4662 1 8 . 1 1 66 66 PRO HA H 66 4.557 4.557 4.438 0.119 18712 4663 1 8 . 1 1 66 66 PRO CA C 66 63.906 63.906 62.887 1.019 18712 4664 1 8 . 1 1 66 66 PRO CB C 66 32.969 32.969 32.444 0.525 18712 4665 1 8 . 1 1 67 67 LYS N N 67 122.359 122.359 119.615 2.744 18712 4666 1 8 . 1 1 67 67 LYS HA H 67 4.391 4.391 4.567 -0.176 18712 4667 1 8 . 1 1 67 67 LYS CA C 67 56.172 56.172 54.894 1.278 18712 4668 1 8 . 1 1 67 67 LYS CB C 67 35.078 35.078 36.276 -1.198 18712 4669 1 8 . 1 1 67 67 LYS H H 67 8.371 8.371 8.056 0.315 18712 4670 1 8 . 1 1 68 68 GLY N N 68 109.563 109.563 110.030 -0.467 18712 4671 1 8 . 1 1 68 68 GLY CA C 68 44.922 44.922 44.904 0.018 18712 4672 1 8 . 1 1 68 68 GLY H H 68 8.583 8.583 8.379 0.204 18712 4673 1 8 . 1 1 69 69 VAL N N 69 118.378 118.378 119.296 -0.918 18712 4674 1 8 . 1 1 69 69 VAL HA H 69 4.032 4.032 4.056 -0.024 18712 4675 1 8 . 1 1 69 69 VAL CA C 69 63.203 63.203 64.946 -1.743 18712 4676 1 8 . 1 1 69 69 VAL CB C 69 32.266 32.266 32.244 0.022 18712 4677 1 8 . 1 1 69 69 VAL H H 69 8.235 8.235 8.208 0.027 18712 4678 1 8 . 1 1 70 70 THR N N 70 114.484 114.484 115.660 -1.176 18712 4679 1 8 . 1 1 70 70 THR HA H 70 4.281 4.281 4.059 0.222 18712 4680 1 8 . 1 1 70 70 THR CA C 70 62.500 62.500 65.111 -2.611 18712 4681 1 8 . 1 1 70 70 THR CB C 70 69.531 69.531 68.562 0.969 18712 4682 1 8 . 1 1 70 70 THR H H 70 8.085 8.085 8.093 -0.008 18712 4683 1 8 . 1 1 71 71 GLU N N 71 121.656 121.656 118.722 2.934 18712 4684 1 8 . 1 1 71 71 GLU HA H 71 4.325 4.325 4.265 0.060 18712 4685 1 8 . 1 1 71 71 GLU CA C 71 56.172 56.172 57.206 -1.034 18712 4686 1 8 . 1 1 71 71 GLU CB C 71 30.859 30.859 29.607 1.252 18712 4687 1 8 . 1 1 71 71 GLU H H 71 8.175 8.175 8.364 -0.189 18712 4688 1 8 . 1 1 72 72 LEU N N 72 122.219 122.219 119.722 2.497 18712 4689 1 8 . 1 1 72 72 LEU HA H 72 4.534 4.534 4.244 0.290 18712 4690 1 8 . 1 1 72 72 LEU CA C 72 54.765 54.765 55.809 -1.044 18712 4691 1 8 . 1 1 72 72 LEU CB C 72 42.812 42.812 42.306 0.506 18712 4692 1 8 . 1 1 72 72 LEU H H 72 7.770 7.770 7.614 0.156 18712 4693 1 8 . 1 1 73 73 THR N N 73 114.407 114.407 110.050 4.357 18712 4694 1 8 . 1 1 73 73 THR HA H 73 4.405 4.405 4.617 -0.212 18712 4695 1 8 . 1 1 73 73 THR CA C 73 61.093 61.093 59.928 1.165 18712 4696 1 8 . 1 1 73 73 THR CB C 73 70.937 70.937 71.671 -0.735 18712 4697 1 8 . 1 1 73 73 THR H H 73 8.869 8.869 7.897 0.972 18712 4698 1 8 . 1 1 74 74 ALA N N 74 123.782 123.782 123.108 0.674 18712 4699 1 8 . 1 1 74 74 ALA HA H 74 4.026 4.026 4.179 -0.153 18712 4700 1 8 . 1 1 74 74 ALA CA C 74 55.468 55.468 54.677 0.791 18712 4701 1 8 . 1 1 74 74 ALA CB C 74 18.203 18.203 18.532 -0.329 18712 4702 1 8 . 1 1 74 74 ALA H H 74 8.831 8.831 8.769 0.062 18712 4703 1 8 . 1 1 75 75 GLU N N 75 117.578 117.578 118.516 -0.938 18712 4704 1 8 . 1 1 75 75 GLU HA H 75 4.043 4.043 3.949 0.094 18712 4705 1 8 . 1 1 75 75 GLU CA C 75 59.687 59.687 59.561 0.126 18712 4706 1 8 . 1 1 75 75 GLU CB C 75 29.453 29.453 29.217 0.236 18712 4707 1 8 . 1 1 75 75 GLU H H 75 8.637 8.637 8.492 0.145 18712 4708 1 8 . 1 1 76 76 GLU N N 76 120.042 120.042 118.192 1.850 18712 4709 1 8 . 1 1 76 76 GLU HA H 76 4.010 4.010 4.079 -0.069 18712 4710 1 8 . 1 1 76 76 GLU CA C 76 58.281 58.281 58.766 -0.485 18712 4711 1 8 . 1 1 76 76 GLU CB C 76 30.859 30.859 29.260 1.599 18712 4712 1 8 . 1 1 76 76 GLU H H 76 7.847 7.847 7.786 0.061 18712 4713 1 8 . 1 1 77 77 ARG N N 77 119.687 119.687 118.732 0.955 18712 4714 1 8 . 1 1 77 77 ARG HA H 77 3.975 3.975 4.098 -0.123 18712 4715 1 8 . 1 1 77 77 ARG CA C 77 58.984 58.984 58.814 0.170 18712 4716 1 8 . 1 1 77 77 ARG CB C 77 30.156 30.156 30.146 0.010 18712 4717 1 8 . 1 1 77 77 ARG H H 77 8.452 8.452 7.744 0.708 18712 4718 1 8 . 1 1 78 78 LEU N N 78 120.250 120.250 116.935 3.315 18712 4719 1 8 . 1 1 78 78 LEU HA H 78 4.210 4.210 4.507 -0.297 18712 4720 1 8 . 1 1 78 78 LEU CA C 78 56.875 56.875 57.113 -0.238 18712 4721 1 8 . 1 1 78 78 LEU CB C 78 42.109 42.109 41.864 0.245 18712 4722 1 8 . 1 1 78 78 LEU H H 78 7.685 7.685 7.517 0.168 18712 4723 1 8 . 1 1 79 79 LEU N N 79 119.265 119.265 121.725 -2.460 18712 4724 1 8 . 1 1 79 79 LEU HA H 79 4.208 4.208 4.013 0.195 18712 4725 1 8 . 1 1 79 79 LEU CA C 79 56.875 56.875 57.868 -0.993 18712 4726 1 8 . 1 1 79 79 LEU CB C 79 42.109 42.109 41.378 0.731 18712 4727 1 8 . 1 1 79 79 LEU H H 79 7.679 7.679 8.402 -0.723 18712 4728 1 8 . 1 1 80 80 HIS N N 80 118.348 118.348 119.326 -0.978 18712 4729 1 8 . 1 1 80 80 HIS HA H 80 4.422 4.422 4.228 0.194 18712 4730 1 8 . 1 1 80 80 HIS CA C 80 57.578 57.578 59.628 -2.050 18712 4731 1 8 . 1 1 80 80 HIS CB C 80 30.156 30.156 29.888 0.268 18712 4732 1 8 . 1 1 80 80 HIS H H 80 8.127 8.127 7.871 0.256 18712 4733 1 8 . 1 1 81 81 ALA N N 81 122.359 122.359 120.272 2.087 18712 4734 1 8 . 1 1 81 81 ALA HA H 81 4.204 4.204 4.144 0.060 18712 4735 1 8 . 1 1 81 81 ALA CA C 81 54.062 54.062 53.786 0.276 18712 4736 1 8 . 1 1 81 81 ALA CB C 81 18.906 18.906 18.539 0.367 18712 4737 1 8 . 1 1 81 81 ALA H H 81 7.908 7.908 7.917 -0.009 18712 4738 1 8 . 1 1 82 82 ILE N N 82 117.705 117.705 117.891 -0.186 18712 4739 1 8 . 1 1 82 82 ILE HA H 82 3.972 3.972 3.856 0.116 18712 4740 1 8 . 1 1 82 82 ILE CA C 82 62.500 62.500 63.898 -1.398 18712 4741 1 8 . 1 1 82 82 ILE CB C 82 38.594 38.594 38.403 0.191 18712 4742 1 8 . 1 1 82 82 ILE H H 82 7.780 7.780 7.494 0.286 18712 4743 1 8 . 1 1 83 83 PHE N N 83 120.528 120.528 118.822 1.706 18712 4744 1 8 . 1 1 83 83 PHE HA H 83 4.633 4.633 4.316 0.317 18712 4745 1 8 . 1 1 83 83 PHE CA C 83 58.281 58.281 59.625 -1.344 18712 4746 1 8 . 1 1 83 83 PHE CB C 83 40.000 40.000 40.084 -0.084 18712 4747 1 8 . 1 1 83 83 PHE H H 83 8.227 8.227 8.163 0.064 18712 4748 1 8 . 1 1 84 84 GLY N N 84 110.328 110.328 106.529 3.799 18712 4749 1 8 . 1 1 84 84 GLY CA C 84 45.625 45.625 45.107 0.518 18712 4750 1 8 . 1 1 84 84 GLY H H 84 8.157 8.157 7.806 0.351 18712 4751 1 8 . 1 1 85 85 GLU N N 85 120.975 120.975 114.730 6.245 18712 4752 1 8 . 1 1 85 85 GLU HA H 85 4.234 4.234 4.387 -0.153 18712 4753 1 8 . 1 1 85 85 GLU CA C 85 57.226 57.226 54.748 2.478 18712 4754 1 8 . 1 1 85 85 GLU CB C 85 30.156 30.156 31.383 -1.227 18712 4755 1 8 . 1 1 85 85 GLU H H 85 8.374 8.374 7.593 0.781 18712 4756 1 8 . 1 1 86 86 LYS N N 86 121.202 121.202 120.879 0.323 18712 4757 1 8 . 1 1 86 86 LYS HA H 86 4.291 4.291 4.549 -0.258 18712 4758 1 8 . 1 1 86 86 LYS CA C 86 56.172 56.172 55.774 0.398 18712 4759 1 8 . 1 1 86 86 LYS CB C 86 32.969 32.969 32.972 -0.003 18712 4760 1 8 . 1 1 86 86 LYS H H 86 8.230 8.230 8.532 -0.302 18712 4761 1 8 . 1 1 87 87 ALA N N 87 124.596 124.596 125.592 -0.996 18712 4762 1 8 . 1 1 87 87 ALA HA H 87 4.236 4.236 4.523 -0.287 18712 4763 1 8 . 1 1 87 87 ALA CA C 87 52.656 52.656 51.281 1.375 18712 4764 1 8 . 1 1 87 87 ALA CB C 87 19.610 19.610 19.848 -0.238 18712 4765 1 8 . 1 1 87 87 ALA H H 87 8.179 8.179 8.307 -0.128 18712 4766 1 8 . 1 1 88 88 ARG N N 88 120.688 120.688 123.822 -3.134 18712 4767 1 8 . 1 1 88 88 ARG HA H 88 4.344 4.344 4.283 0.061 18712 4768 1 8 . 1 1 88 88 ARG CA C 88 56.172 56.172 56.299 -0.127 18712 4769 1 8 . 1 1 88 88 ARG CB C 88 30.859 30.859 30.586 0.273 18712 4770 1 8 . 1 1 88 88 ARG H H 88 8.274 8.274 8.389 -0.115 18712 4771 1 8 . 1 1 89 89 GLU N N 89 124.469 124.469 123.671 0.798 18712 4772 1 8 . 1 1 89 89 GLU HA H 89 4.575 4.575 4.589 -0.014 18712 4773 1 8 . 1 1 89 89 GLU CA C 89 55.468 55.468 55.538 -0.070 18712 4774 1 8 . 1 1 89 89 GLU CB C 89 30.156 30.156 31.713 -1.557 18712 4775 1 8 . 1 1 89 89 GLU H H 89 8.632 8.632 8.557 0.075 18712 4776 1 8 . 1 1 90 90 VAL N N 90 114.440 114.440 118.046 -3.606 18712 4777 1 8 . 1 1 90 90 VAL HA H 90 5.047 5.047 4.415 0.632 18712 4778 1 8 . 1 1 90 90 VAL CA C 90 58.984 58.984 59.775 -0.791 18712 4779 1 8 . 1 1 90 90 VAL CB C 90 36.484 36.484 34.675 1.810 18712 4780 1 8 . 1 1 90 90 VAL H H 90 8.246 8.246 8.251 -0.005 18712 4781 1 8 . 1 1 91 91 ARG N N 91 118.602 118.602 120.142 -1.540 18712 4782 1 8 . 1 1 91 91 ARG HA H 91 4.771 4.771 4.697 0.074 18712 4783 1 8 . 1 1 91 91 ARG CB C 91 33.672 33.672 33.877 -0.205 18712 4784 1 8 . 1 1 91 91 ARG H H 91 9.062 9.062 8.780 0.282 18712 4785 1 8 . 1 1 92 92 ASP N N 92 121.656 121.656 120.708 0.948 18712 4786 1 8 . 1 1 92 92 ASP HA H 92 4.754 4.754 4.913 -0.159 18712 4787 1 8 . 1 1 92 92 ASP CB C 92 41.406 41.406 41.391 0.015 18712 4788 1 8 . 1 1 92 92 ASP H H 92 8.770 8.770 8.429 0.341 18712 4789 1 8 . 1 1 93 93 THR N N 93 124.654 124.654 113.554 11.100 18712 4790 1 8 . 1 1 93 93 THR HA H 93 4.586 4.586 4.504 0.082 18712 4791 1 8 . 1 1 93 93 THR CA C 93 60.390 60.390 61.048 -0.658 18712 4792 1 8 . 1 1 93 93 THR CB C 93 66.718 66.718 69.341 -2.623 18712 4793 1 8 . 1 1 93 93 THR H H 93 9.253 9.253 8.434 0.819 18712 4794 1 8 . 1 1 94 94 SER N N 94 117.437 117.437 118.502 -1.065 18712 4795 1 8 . 1 1 94 94 SER HA H 94 4.455 4.455 4.353 0.102 18712 4796 1 8 . 1 1 94 94 SER CA C 94 60.390 60.390 58.894 1.496 18712 4797 1 8 . 1 1 94 94 SER CB C 94 63.906 63.906 64.097 -0.191 18712 4798 1 8 . 1 1 94 94 SER H H 94 8.564 8.564 7.576 0.988 18712 4799 1 8 . 1 1 95 95 LEU N N 95 125.594 125.594 117.167 8.427 18712 4800 1 8 . 1 1 95 95 LEU HA H 95 4.684 4.684 4.537 0.147 18712 4801 1 8 . 1 1 95 95 LEU CB C 95 43.516 43.516 43.012 0.504 18712 4802 1 8 . 1 1 95 95 LEU H H 95 8.964 8.964 8.141 0.823 18712 4803 1 8 . 1 1 96 96 ARG N N 96 128.669 128.669 122.767 5.902 18712 4804 1 8 . 1 1 96 96 ARG HA H 96 5.061 5.061 4.422 0.639 18712 4805 1 8 . 1 1 96 96 ARG CA C 96 54.062 54.062 55.204 -1.142 18712 4806 1 8 . 1 1 96 96 ARG CB C 96 34.375 34.375 30.459 3.916 18712 4807 1 8 . 1 1 96 96 ARG H H 96 8.709 8.709 8.453 0.256 18712 4808 1 8 . 1 1 97 97 VAL N N 97 121.375 121.375 128.079 -6.704 18712 4809 1 8 . 1 1 97 97 VAL HA H 97 3.386 3.386 4.424 -1.038 18712 4810 1 8 . 1 1 97 97 VAL CA C 97 61.093 61.093 59.049 2.044 18712 4811 1 8 . 1 1 97 97 VAL CB C 97 32.266 32.266 33.031 -0.765 18712 4812 1 8 . 1 1 97 97 VAL H H 97 8.745 8.745 8.520 0.225 18712 4813 1 8 . 1 1 98 98 PRO HA H 98 4.543 4.543 4.485 0.058 18712 4814 1 8 . 1 1 98 98 PRO CA C 98 62.500 62.500 62.275 0.225 18712 4815 1 8 . 1 1 98 98 PRO CB C 98 32.969 32.969 32.275 0.694 18712 4816 1 8 . 1 1 99 99 HIS N N 99 118.140 118.140 116.465 1.675 18712 4817 1 8 . 1 1 99 99 HIS HA H 99 4.272 4.272 4.438 -0.166 18712 4818 1 8 . 1 1 99 99 HIS CA C 99 58.281 58.281 56.594 1.687 18712 4819 1 8 . 1 1 99 99 HIS CB C 99 30.156 30.156 29.341 0.815 18712 4820 1 8 . 1 1 99 99 HIS H H 99 8.368 8.368 8.131 0.237 18712 4821 1 8 . 1 1 100 100 GLY N N 100 116.101 116.101 114.441 1.660 18712 4822 1 8 . 1 1 100 100 GLY CA C 100 45.625 45.625 45.410 0.214 18712 4823 1 8 . 1 1 100 100 GLY H H 100 9.411 9.411 8.923 0.488 18712 4824 1 8 . 1 1 101 101 GLY N N 101 108.798 108.798 109.833 -1.035 18712 4825 1 8 . 1 1 101 101 GLY CA C 101 45.625 45.625 45.630 -0.005 18712 4826 1 8 . 1 1 101 101 GLY H H 101 8.399 8.399 7.911 0.488 18712 4827 1 8 . 1 1 102 102 GLY N N 102 105.967 105.967 109.599 -3.632 18712 4828 1 8 . 1 1 102 102 GLY CA C 102 45.625 45.625 45.194 0.431 18712 4829 1 8 . 1 1 102 102 GLY H H 102 8.310 8.310 8.304 0.006 18712 4830 1 8 . 1 1 103 103 GLY N N 103 107.574 107.574 106.836 0.738 18712 4831 1 8 . 1 1 103 103 GLY CA C 103 46.328 46.328 43.612 2.716 18712 4832 1 8 . 1 1 103 103 GLY H H 103 8.075 8.075 7.544 0.531 18712 4833 1 8 . 1 1 104 104 ILE N N 104 122.219 122.219 118.434 3.785 18712 4834 1 8 . 1 1 104 104 ILE HA H 104 5.075 5.075 4.420 0.655 18712 4835 1 8 . 1 1 104 104 ILE CA C 104 58.281 58.281 60.153 -1.872 18712 4836 1 8 . 1 1 104 104 ILE CB C 104 40.703 40.703 42.512 -1.809 18712 4837 1 8 . 1 1 104 104 ILE H H 104 8.269 8.269 7.630 0.639 18712 4838 1 8 . 1 1 105 105 ILE N N 105 124.237 124.237 125.006 -0.769 18712 4839 1 8 . 1 1 105 105 ILE HA H 105 4.312 4.312 4.222 0.090 18712 4840 1 8 . 1 1 105 105 ILE CA C 105 60.390 60.390 61.273 -0.882 18712 4841 1 8 . 1 1 105 105 ILE CB C 105 34.375 34.375 35.044 -0.669 18712 4842 1 8 . 1 1 105 105 ILE H H 105 8.965 8.965 8.489 0.476 18712 4843 1 8 . 1 1 106 106 HIS N N 106 135.053 135.053 128.314 6.739 18712 4844 1 8 . 1 1 106 106 HIS HA H 106 4.506 4.506 4.677 -0.171 18712 4845 1 8 . 1 1 106 106 HIS CA C 106 57.578 57.578 57.026 0.551 18712 4846 1 8 . 1 1 106 106 HIS CB C 106 33.672 33.672 32.016 1.657 18712 4847 1 8 . 1 1 106 106 HIS H H 106 9.604 9.604 8.378 1.226 18712 4848 1 8 . 1 1 107 107 ASP N N 107 112.528 112.528 118.486 -5.958 18712 4849 1 8 . 1 1 107 107 ASP HA H 107 4.707 4.707 4.759 -0.052 18712 4850 1 8 . 1 1 107 107 ASP CB C 107 42.812 42.812 45.104 -2.292 18712 4851 1 8 . 1 1 107 107 ASP H H 107 7.930 7.930 7.738 0.192 18712 4852 1 8 . 1 1 108 108 VAL N N 108 121.656 121.656 120.499 1.157 18712 4853 1 8 . 1 1 108 108 VAL HA H 108 5.028 5.028 4.466 0.562 18712 4854 1 8 . 1 1 108 108 VAL CA C 108 61.796 61.796 61.544 0.253 18712 4855 1 8 . 1 1 108 108 VAL CB C 108 36.484 36.484 35.333 1.151 18712 4856 1 8 . 1 1 108 108 VAL H H 108 8.325 8.325 8.310 0.015 18712 4857 1 8 . 1 1 109 109 LYS N N 109 126.798 126.798 127.768 -0.970 18712 4858 1 8 . 1 1 109 109 LYS HA H 109 4.676 4.676 4.499 0.177 18712 4859 1 8 . 1 1 109 109 LYS CB C 109 37.187 37.187 34.665 2.522 18712 4860 1 8 . 1 1 109 109 LYS H H 109 9.417 9.417 8.471 0.946 18712 4861 1 8 . 1 1 110 110 VAL N N 110 121.892 121.892 123.259 -1.367 18712 4862 1 8 . 1 1 110 110 VAL HA H 110 4.676 4.676 4.319 0.357 18712 4863 1 8 . 1 1 110 110 VAL CB C 110 33.672 33.672 34.148 -0.476 18712 4864 1 8 . 1 1 110 110 VAL H H 110 8.206 8.206 8.160 0.046 18712 4865 1 8 . 1 1 111 111 PHE N N 111 126.578 126.578 127.573 -0.995 18712 4866 1 8 . 1 1 111 111 PHE HA H 111 4.995 4.995 4.795 0.200 18712 4867 1 8 . 1 1 111 111 PHE CA C 111 56.172 56.172 56.191 -0.019 18712 4868 1 8 . 1 1 111 111 PHE CB C 111 42.109 42.109 41.131 0.978 18712 4869 1 8 . 1 1 111 111 PHE H H 111 9.459 9.459 9.032 0.427 18712 4870 1 8 . 1 1 112 112 ASN N N 112 121.797 121.797 121.305 0.492 18712 4871 1 8 . 1 1 112 112 ASN HA H 112 5.425 5.425 5.105 0.320 18712 4872 1 8 . 1 1 112 112 ASN CA C 112 52.656 52.656 51.559 1.097 18712 4873 1 8 . 1 1 112 112 ASN CB C 112 42.109 42.109 41.761 0.348 18712 4874 1 8 . 1 1 112 112 ASN H H 112 10.663 10.663 8.880 1.783 18712 4875 1 8 . 1 1 113 113 ARG N N 113 130.516 130.516 124.325 6.191 18712 4876 1 8 . 1 1 113 113 ARG HA H 113 4.435 4.435 4.407 0.028 18712 4877 1 8 . 1 1 113 113 ARG CA C 113 59.687 59.687 58.903 0.784 18712 4878 1 8 . 1 1 113 113 ARG CB C 113 30.859 30.859 29.965 0.894 18712 4879 1 8 . 1 1 113 113 ARG H H 113 9.138 9.138 9.030 0.108 18712 4880 1 8 . 1 1 114 114 GLU N N 114 119.008 119.008 118.392 0.616 18712 4881 1 8 . 1 1 114 114 GLU HA H 114 4.142 4.142 4.153 -0.011 18712 4882 1 8 . 1 1 114 114 GLU CA C 114 58.281 58.281 58.407 -0.126 18712 4883 1 8 . 1 1 114 114 GLU CB C 114 29.453 29.453 28.732 0.721 18712 4884 1 8 . 1 1 114 114 GLU H H 114 8.924 8.924 8.661 0.263 18712 4885 1 8 . 1 1 115 115 ASP N N 115 116.593 116.593 117.059 -0.466 18712 4886 1 8 . 1 1 115 115 ASP HA H 115 4.869 4.869 4.523 0.346 18712 4887 1 8 . 1 1 115 115 ASP CA C 115 54.062 54.062 54.694 -0.632 18712 4888 1 8 . 1 1 115 115 ASP CB C 115 42.109 42.109 40.926 1.183 18712 4889 1 8 . 1 1 115 115 ASP H H 115 7.356 7.356 7.897 -0.541 18712 4890 1 8 . 1 1 116 116 GLY N N 116 106.689 106.689 107.253 -0.564 18712 4891 1 8 . 1 1 116 116 GLY CA C 116 44.922 44.922 44.661 0.261 18712 4892 1 8 . 1 1 116 116 GLY H H 116 7.918 7.918 7.513 0.405 18712 4893 1 8 . 1 1 117 117 ASP N N 117 119.329 119.329 121.720 -2.391 18712 4894 1 8 . 1 1 117 117 ASP HA H 117 4.632 4.632 4.794 -0.162 18712 4895 1 8 . 1 1 117 117 ASP CA C 117 55.468 55.468 53.216 2.252 18712 4896 1 8 . 1 1 117 117 ASP CB C 117 41.406 41.406 41.574 -0.168 18712 4897 1 8 . 1 1 117 117 ASP H H 117 7.220 7.220 7.863 -0.643 18712 4898 1 8 . 1 1 118 118 GLU N N 118 123.484 123.484 125.171 -1.687 18712 4899 1 8 . 1 1 118 118 GLU HA H 118 4.240 4.240 4.231 0.009 18712 4900 1 8 . 1 1 118 118 GLU CA C 118 56.875 56.875 57.123 -0.248 18712 4901 1 8 . 1 1 118 118 GLU CB C 118 29.453 29.453 30.369 -0.916 18712 4902 1 8 . 1 1 118 118 GLU H H 118 8.626 8.626 8.681 -0.055 18712 4903 1 8 . 1 1 119 119 LEU N N 119 129.139 129.139 125.374 3.765 18712 4904 1 8 . 1 1 119 119 LEU HA H 119 4.759 4.759 4.804 -0.045 18712 4905 1 8 . 1 1 119 119 LEU CB C 119 44.219 44.219 43.457 0.762 18712 4906 1 8 . 1 1 119 119 LEU H H 119 8.106 8.106 8.260 -0.154 18712 4907 1 8 . 1 1 120 120 PRO CB C 120 31.914 31.914 31.014 0.900 18712 4908 1 8 . 1 1 121 121 PRO HA H 121 4.269 4.269 4.372 -0.103 18712 4909 1 8 . 1 1 121 121 PRO CA C 121 63.906 63.906 63.599 0.307 18712 4910 1 8 . 1 1 121 121 PRO CB C 121 31.563 31.563 31.560 0.003 18712 4911 1 8 . 1 1 122 122 GLY N N 122 112.656 112.656 111.632 1.024 18712 4912 1 8 . 1 1 122 122 GLY CA C 122 45.625 45.625 45.155 0.470 18712 4913 1 8 . 1 1 122 122 GLY H H 122 8.827 8.827 8.692 0.135 18712 4914 1 8 . 1 1 123 123 VAL N N 123 119.406 119.406 119.223 0.183 18712 4915 1 8 . 1 1 123 123 VAL HA H 123 4.017 4.017 4.482 -0.465 18712 4916 1 8 . 1 1 123 123 VAL CA C 123 62.851 62.851 61.736 1.115 18712 4917 1 8 . 1 1 123 123 VAL CB C 123 32.266 32.266 33.480 -1.214 18712 4918 1 8 . 1 1 123 123 VAL H H 123 7.845 7.845 7.402 0.443 18712 4919 1 8 . 1 1 124 124 ASN N N 124 124.609 124.609 121.209 3.400 18712 4920 1 8 . 1 1 124 124 ASN HA H 124 4.877 4.877 4.865 0.012 18712 4921 1 8 . 1 1 124 124 ASN CA C 124 54.765 54.765 53.172 1.593 18712 4922 1 8 . 1 1 124 124 ASN CB C 124 40.000 40.000 40.571 -0.571 18712 4923 1 8 . 1 1 124 124 ASN H H 124 9.206 9.206 8.839 0.367 18712 4924 1 8 . 1 1 125 125 GLN N N 125 117.959 117.959 115.410 2.549 18712 4925 1 8 . 1 1 125 125 GLN HA H 125 5.234 5.234 4.608 0.626 18712 4926 1 8 . 1 1 125 125 GLN CA C 125 56.172 56.172 55.126 1.046 18712 4927 1 8 . 1 1 125 125 GLN CB C 125 33.672 33.672 33.342 0.330 18712 4928 1 8 . 1 1 125 125 GLN H H 125 7.756 7.756 7.640 0.116 18712 4929 1 8 . 1 1 126 126 LEU N N 126 125.559 125.559 122.343 3.216 18712 4930 1 8 . 1 1 126 126 LEU HA H 126 5.261 5.261 5.026 0.235 18712 4931 1 8 . 1 1 126 126 LEU CA C 126 54.765 54.765 54.780 -0.015 18712 4932 1 8 . 1 1 126 126 LEU CB C 126 47.734 47.734 46.070 1.664 18712 4933 1 8 . 1 1 126 126 LEU H H 126 8.866 8.866 8.272 0.594 18712 4934 1 8 . 1 1 127 127 VAL N N 127 126.578 126.578 126.620 -0.042 18712 4935 1 8 . 1 1 127 127 VAL HA H 127 5.127 5.127 4.810 0.317 18712 4936 1 8 . 1 1 127 127 VAL CA C 127 60.390 60.390 60.547 -0.157 18712 4937 1 8 . 1 1 127 127 VAL CB C 127 35.078 35.078 35.790 -0.712 18712 4938 1 8 . 1 1 127 127 VAL H H 127 9.367 9.367 9.119 0.248 18712 4939 1 8 . 1 1 128 128 ARG N N 128 126.578 126.578 127.249 -0.671 18712 4940 1 8 . 1 1 128 128 ARG HA H 128 5.259 5.259 5.263 -0.004 18712 4941 1 8 . 1 1 128 128 ARG CA C 128 54.765 54.765 53.949 0.816 18712 4942 1 8 . 1 1 128 128 ARG CB C 128 33.672 33.672 34.306 -0.634 18712 4943 1 8 . 1 1 128 128 ARG H H 128 9.502 9.502 8.977 0.525 18712 4944 1 8 . 1 1 129 129 VAL N N 129 123.977 123.977 118.727 5.250 18712 4945 1 8 . 1 1 129 129 VAL HA H 129 4.489 4.489 4.431 0.058 18712 4946 1 8 . 1 1 129 129 VAL CA C 129 61.093 61.093 61.412 -0.319 18712 4947 1 8 . 1 1 129 129 VAL CB C 129 35.078 35.078 34.575 0.502 18712 4948 1 8 . 1 1 129 129 VAL H H 129 9.051 9.051 8.153 0.898 18712 4949 1 8 . 1 1 130 130 TYR N N 130 124.673 124.673 122.958 1.715 18712 4950 1 8 . 1 1 130 130 TYR HA H 130 5.419 5.419 5.075 0.344 18712 4951 1 8 . 1 1 130 130 TYR CA C 130 56.172 56.172 56.665 -0.493 18712 4952 1 8 . 1 1 130 130 TYR CB C 130 39.297 39.297 40.332 -1.035 18712 4953 1 8 . 1 1 130 130 TYR H H 130 8.650 8.650 8.605 0.045 18712 4954 1 8 . 1 1 131 131 ILE N N 131 125.227 125.227 124.057 1.170 18712 4955 1 8 . 1 1 131 131 ILE HA H 131 4.869 4.869 4.669 0.200 18712 4956 1 8 . 1 1 131 131 ILE CB C 131 40.000 40.000 41.741 -1.741 18712 4957 1 8 . 1 1 131 131 ILE H H 131 9.509 9.509 8.929 0.580 18712 4958 1 8 . 1 1 132 132 VAL N N 132 126.859 126.859 124.238 2.621 18712 4959 1 8 . 1 1 132 132 VAL HA H 132 4.729 4.729 5.083 -0.354 18712 4960 1 8 . 1 1 132 132 VAL CA C 132 61.093 61.093 59.132 1.961 18712 4961 1 8 . 1 1 132 132 VAL CB C 132 33.672 33.672 32.357 1.315 18712 4962 1 8 . 1 1 132 132 VAL H H 132 9.606 9.606 8.025 1.581 18712 4963 1 8 . 1 1 133 133 GLN N N 133 128.406 128.406 127.169 1.237 18712 4964 1 8 . 1 1 133 133 GLN HA H 133 4.751 4.751 4.503 0.248 18712 4965 1 8 . 1 1 133 133 GLN CA C 133 54.765 54.765 55.868 -1.103 18712 4966 1 8 . 1 1 133 133 GLN CB C 133 31.563 31.563 29.244 2.319 18712 4967 1 8 . 1 1 133 133 GLN H H 133 9.153 9.153 8.209 0.944 18712 4968 1 8 . 1 1 134 134 LYS N N 134 122.929 122.929 125.755 -2.826 18712 4969 1 8 . 1 1 134 134 LYS HA H 134 4.725 4.725 4.127 0.598 18712 4970 1 8 . 1 1 134 134 LYS CA C 134 56.172 56.172 56.652 -0.480 18712 4971 1 8 . 1 1 134 134 LYS CB C 134 33.320 33.320 32.992 0.328 18712 4972 1 8 . 1 1 134 134 LYS H H 134 8.561 8.561 7.983 0.578 18712 4973 1 8 . 1 1 135 135 ARG N N 135 123.484 123.484 122.560 0.924 18712 4974 1 8 . 1 1 135 135 ARG HA H 135 4.503 4.503 4.436 0.067 18712 4975 1 8 . 1 1 135 135 ARG CA C 135 55.468 55.468 55.272 0.196 18712 4976 1 8 . 1 1 135 135 ARG CB C 135 32.266 32.266 31.642 0.623 18712 4977 1 8 . 1 1 135 135 ARG H H 135 8.596 8.596 8.306 0.290 18712 4978 1 8 . 1 1 136 136 LYS N N 136 123.906 123.906 125.975 -2.069 18712 4979 1 8 . 1 1 136 136 LYS HA H 136 4.467 4.467 4.148 0.319 18712 4980 1 8 . 1 1 136 136 LYS CA C 136 56.172 56.172 57.002 -0.830 18712 4981 1 8 . 1 1 136 136 LYS CB C 136 32.969 32.969 33.035 -0.065 18712 4982 1 8 . 1 1 136 136 LYS H H 136 8.608 8.608 8.288 0.320 18712 4983 1 8 . 1 1 137 137 ILE N N 137 123.571 123.571 116.717 6.854 18712 4984 1 8 . 1 1 137 137 ILE HA H 137 4.184 4.184 4.493 -0.309 18712 4985 1 8 . 1 1 137 137 ILE CA C 137 61.093 61.093 58.229 2.864 18712 4986 1 8 . 1 1 137 137 ILE CB C 137 38.594 38.594 39.625 -1.031 18712 4987 1 8 . 1 1 137 137 ILE H H 137 8.353 8.353 8.049 0.304 18712 4988 1 8 . 1 1 138 138 SER N N 138 119.547 119.547 116.441 3.106 18712 4989 1 8 . 1 1 138 138 SER HA H 138 4.503 4.503 4.233 0.270 18712 4990 1 8 . 1 1 138 138 SER CA C 138 58.281 58.281 59.618 -1.337 18712 4991 1 8 . 1 1 138 138 SER CB C 138 63.906 63.906 63.320 0.586 18712 4992 1 8 . 1 1 138 138 SER H H 138 8.410 8.410 8.358 0.052 18712 4993 1 8 . 1 1 139 139 GLU N N 139 123.281 123.281 127.987 -4.706 18712 4994 1 8 . 1 1 139 139 GLU HA H 139 4.307 4.307 4.268 0.039 18712 4995 1 8 . 1 1 139 139 GLU CA C 139 56.875 56.875 57.167 -0.292 18712 4996 1 8 . 1 1 139 139 GLU CB C 139 30.156 30.156 29.865 0.291 18712 4997 1 8 . 1 1 139 139 GLU H H 139 8.489 8.489 8.538 -0.049 18712 4998 1 8 . 1 1 140 140 GLY N N 140 109.792 109.792 106.147 3.645 18712 4999 1 8 . 1 1 140 140 GLY CA C 140 45.625 45.625 45.189 0.436 18712 5000 1 8 . 1 1 140 140 GLY H H 140 8.418 8.418 8.419 -0.001 18712 5001 1 9 . 1 1 4 4 VAL N N 4 119.125 119.125 119.342 -0.217 18712 5002 1 9 . 1 1 4 4 VAL HA H 4 4.070 4.070 4.259 -0.189 18712 5003 1 9 . 1 1 4 4 VAL CA C 4 62.500 62.500 61.238 1.262 18712 5004 1 9 . 1 1 4 4 VAL CB C 4 32.969 32.969 34.947 -1.978 18712 5005 1 9 . 1 1 4 4 VAL H H 4 7.998 7.998 7.876 0.122 18712 5006 1 9 . 1 1 5 5 TYR N N 5 122.640 122.640 124.257 -1.617 18712 5007 1 9 . 1 1 5 5 TYR HA H 5 4.674 4.674 4.694 -0.020 18712 5008 1 9 . 1 1 5 5 TYR CA C 5 58.281 58.281 56.464 1.817 18712 5009 1 9 . 1 1 5 5 TYR CB C 5 38.594 38.594 37.232 1.362 18712 5010 1 9 . 1 1 5 5 TYR H H 5 8.305 8.305 8.535 -0.230 18712 5011 1 9 . 1 1 6 6 THR N N 6 114.861 114.861 118.866 -4.005 18712 5012 1 9 . 1 1 6 6 THR HA H 6 4.548 4.548 4.174 0.374 18712 5013 1 9 . 1 1 6 6 THR CA C 6 61.796 61.796 62.051 -0.255 18712 5014 1 9 . 1 1 6 6 THR CB C 6 70.234 70.234 69.412 0.822 18712 5015 1 9 . 1 1 6 6 THR H H 6 8.003 8.003 8.265 -0.262 18712 5016 1 9 . 1 1 7 7 SER N N 7 118.140 118.140 119.843 -1.703 18712 5017 1 9 . 1 1 7 7 SER HA H 7 4.600 4.600 4.559 0.041 18712 5018 1 9 . 1 1 7 7 SER CA C 7 57.578 57.578 57.944 -0.366 18712 5019 1 9 . 1 1 7 7 SER CB C 7 64.609 64.609 63.794 0.815 18712 5020 1 9 . 1 1 7 7 SER H H 7 8.487 8.487 8.178 0.308 18712 5021 1 9 . 1 1 8 8 ILE N N 8 121.375 121.375 121.400 -0.025 18712 5022 1 9 . 1 1 8 8 ILE HA H 8 4.627 4.627 4.449 0.178 18712 5023 1 9 . 1 1 8 8 ILE CA C 8 60.390 60.390 60.821 -0.431 18712 5024 1 9 . 1 1 8 8 ILE CB C 8 40.000 40.000 38.697 1.303 18712 5025 1 9 . 1 1 8 8 ILE H H 8 8.139 8.139 8.236 -0.097 18712 5026 1 9 . 1 1 9 9 HIS N N 9 125.734 125.734 126.662 -0.928 18712 5027 1 9 . 1 1 9 9 HIS HA H 9 4.768 4.768 4.792 -0.024 18712 5028 1 9 . 1 1 9 9 HIS CB C 9 32.617 32.617 32.673 -0.056 18712 5029 1 9 . 1 1 9 9 HIS H H 9 8.743 8.743 8.229 0.514 18712 5030 1 9 . 1 1 10 10 ILE N N 10 125.875 125.875 121.781 4.094 18712 5031 1 9 . 1 1 10 10 ILE HA H 10 4.806 4.806 4.692 0.114 18712 5032 1 9 . 1 1 10 10 ILE CB C 10 39.297 39.297 38.808 0.489 18712 5033 1 9 . 1 1 10 10 ILE H H 10 8.035 8.035 8.442 -0.407 18712 5034 1 9 . 1 1 11 11 GLU N N 11 129.438 129.438 128.492 0.946 18712 5035 1 9 . 1 1 11 11 GLU HA H 11 4.472 4.472 4.290 0.182 18712 5036 1 9 . 1 1 11 11 GLU CA C 11 54.062 54.062 54.998 -0.936 18712 5037 1 9 . 1 1 11 11 GLU CB C 11 32.617 32.617 31.078 1.538 18712 5038 1 9 . 1 1 11 11 GLU H H 11 8.934 8.934 8.802 0.132 18712 5039 1 9 . 1 1 12 12 GLU N N 12 123.983 123.983 118.027 5.956 18712 5040 1 9 . 1 1 12 12 GLU HA H 12 4.752 4.752 4.277 0.475 18712 5041 1 9 . 1 1 12 12 GLU CA C 12 54.062 54.062 55.108 -1.046 18712 5042 1 9 . 1 1 12 12 GLU CB C 12 32.617 32.617 30.559 2.058 18712 5043 1 9 . 1 1 12 12 GLU H H 12 8.192 8.192 7.912 0.280 18712 5044 1 9 . 1 1 13 13 TYR N N 13 122.826 122.826 123.959 -1.133 18712 5045 1 9 . 1 1 13 13 TYR HA H 13 4.741 4.741 4.772 -0.031 18712 5046 1 9 . 1 1 13 13 TYR CB C 13 42.812 42.812 41.249 1.563 18712 5047 1 9 . 1 1 13 13 TYR H H 13 8.926 8.926 7.932 0.994 18712 5048 1 9 . 1 1 14 14 GLU N N 14 119.329 119.329 123.179 -3.850 18712 5049 1 9 . 1 1 14 14 GLU HA H 14 5.647 5.647 5.053 0.594 18712 5050 1 9 . 1 1 14 14 GLU CA C 14 54.765 54.765 54.429 0.335 18712 5051 1 9 . 1 1 14 14 GLU CB C 14 34.375 34.375 33.083 1.292 18712 5052 1 9 . 1 1 14 14 GLU H H 14 8.716 8.716 8.651 0.065 18712 5053 1 9 . 1 1 15 15 SER N N 15 116.172 116.172 116.137 0.035 18712 5054 1 9 . 1 1 15 15 SER HA H 15 4.616 4.616 4.765 -0.149 18712 5055 1 9 . 1 1 15 15 SER CA C 15 57.578 57.578 57.964 -0.386 18712 5056 1 9 . 1 1 15 15 SER CB C 15 66.015 66.015 65.004 1.010 18712 5057 1 9 . 1 1 15 15 SER H H 15 8.922 8.922 8.387 0.535 18712 5058 1 9 . 1 1 16 16 GLU N N 16 125.172 125.172 121.916 3.256 18712 5059 1 9 . 1 1 16 16 GLU HA H 16 5.082 5.082 4.888 0.194 18712 5060 1 9 . 1 1 16 16 GLU CA C 16 54.062 54.062 54.405 -0.343 18712 5061 1 9 . 1 1 16 16 GLU CB C 16 32.969 32.969 32.882 0.087 18712 5062 1 9 . 1 1 16 16 GLU H H 16 8.587 8.587 8.410 0.177 18712 5063 1 9 . 1 1 17 17 ALA N N 17 124.890 124.890 127.101 -2.211 18712 5064 1 9 . 1 1 17 17 ALA HA H 17 4.969 4.969 4.449 0.520 18712 5065 1 9 . 1 1 17 17 ALA CA C 17 50.547 50.547 51.474 -0.927 18712 5066 1 9 . 1 1 17 17 ALA CB C 17 19.610 19.610 19.279 0.331 18712 5067 1 9 . 1 1 17 17 ALA H H 17 9.000 9.000 8.274 0.726 18712 5068 1 9 . 1 1 18 18 ARG N N 18 125.376 125.376 125.188 0.188 18712 5069 1 9 . 1 1 18 18 ARG HA H 18 5.175 5.175 4.903 0.272 18712 5070 1 9 . 1 1 18 18 ARG CA C 18 54.765 54.765 55.375 -0.610 18712 5071 1 9 . 1 1 18 18 ARG CB C 18 34.375 34.375 31.080 3.295 18712 5072 1 9 . 1 1 18 18 ARG H H 18 9.624 9.624 7.932 1.692 18712 5073 1 9 . 1 1 19 19 ASP N N 19 119.828 119.828 125.134 -5.306 18712 5074 1 9 . 1 1 19 19 ASP HA H 19 4.685 4.685 4.606 0.079 18712 5075 1 9 . 1 1 19 19 ASP CA C 19 55.117 55.117 55.167 -0.050 18712 5076 1 9 . 1 1 19 19 ASP CB C 19 41.406 41.406 41.442 -0.036 18712 5077 1 9 . 1 1 19 19 ASP H H 19 8.420 8.420 8.111 0.309 18712 5078 1 9 . 1 1 20 20 THR N N 20 112.948 112.948 115.045 -2.097 18712 5079 1 9 . 1 1 20 20 THR HA H 20 4.979 4.979 4.426 0.553 18712 5080 1 9 . 1 1 20 20 THR CA C 20 60.390 60.390 61.291 -0.901 18712 5081 1 9 . 1 1 20 20 THR CB C 20 73.046 73.046 70.084 2.962 18712 5082 1 9 . 1 1 20 20 THR H H 20 7.602 7.602 8.251 -0.649 18712 5083 1 9 . 1 1 21 21 LYS HA H 21 4.146 4.146 4.337 -0.191 18712 5084 1 9 . 1 1 21 21 LYS CA C 21 58.984 58.984 58.045 0.938 18712 5085 1 9 . 1 1 21 21 LYS CB C 21 32.266 32.266 31.558 0.708 18712 5086 1 9 . 1 1 22 22 LEU N N 22 117.346 117.346 120.639 -3.293 18712 5087 1 9 . 1 1 22 22 LEU HA H 22 4.532 4.532 4.467 0.065 18712 5088 1 9 . 1 1 22 22 LEU CA C 22 54.062 54.062 54.524 -0.462 18712 5089 1 9 . 1 1 22 22 LEU CB C 22 42.812 42.812 41.708 1.105 18712 5090 1 9 . 1 1 22 22 LEU H H 22 7.848 7.848 7.384 0.464 18712 5091 1 9 . 1 1 23 23 GLY N N 23 108.437 108.437 109.498 -1.061 18712 5092 1 9 . 1 1 23 23 GLY CA C 23 43.516 43.516 44.420 -0.904 18712 5093 1 9 . 1 1 23 23 GLY H H 23 7.407 7.407 7.400 0.007 18712 5094 1 9 . 1 1 24 24 PRO HA H 24 4.894 4.894 4.584 0.310 18712 5095 1 9 . 1 1 24 24 PRO CA C 24 63.906 63.906 62.381 1.525 18712 5096 1 9 . 1 1 24 24 PRO CB C 24 31.563 31.563 33.298 -1.735 18712 5097 1 9 . 1 1 25 25 GLU N N 25 118.281 118.281 117.788 0.493 18712 5098 1 9 . 1 1 25 25 GLU HA H 25 4.621 4.621 4.444 0.177 18712 5099 1 9 . 1 1 25 25 GLU CA C 25 56.523 56.523 57.006 -0.483 18712 5100 1 9 . 1 1 25 25 GLU CB C 25 32.266 32.266 31.359 0.907 18712 5101 1 9 . 1 1 25 25 GLU H H 25 8.341 8.341 8.722 -0.381 18712 5102 1 9 . 1 1 26 26 GLU N N 26 119.406 119.406 117.797 1.609 18712 5103 1 9 . 1 1 26 26 GLU HA H 26 4.710 4.710 4.524 0.186 18712 5104 1 9 . 1 1 26 26 GLU CA C 26 54.765 54.765 55.421 -0.656 18712 5105 1 9 . 1 1 26 26 GLU CB C 26 33.672 33.672 31.279 2.393 18712 5106 1 9 . 1 1 26 26 GLU H H 26 8.336 8.336 7.796 0.540 18712 5107 1 9 . 1 1 27 27 ILE N N 27 127.472 127.472 121.903 5.569 18712 5108 1 9 . 1 1 27 27 ILE HA H 27 5.009 5.009 4.195 0.814 18712 5109 1 9 . 1 1 27 27 ILE CA C 27 60.390 60.390 62.091 -1.701 18712 5110 1 9 . 1 1 27 27 ILE CB C 27 37.187 37.187 38.703 -1.516 18712 5111 1 9 . 1 1 27 27 ILE H H 27 8.405 8.405 8.556 -0.151 18712 5112 1 9 . 1 1 28 28 THR N N 28 124.387 124.387 120.689 3.698 18712 5113 1 9 . 1 1 28 28 THR HA H 28 4.492 4.492 4.636 -0.143 18712 5114 1 9 . 1 1 28 28 THR CA C 28 59.687 59.687 60.104 -0.417 18712 5115 1 9 . 1 1 28 28 THR CB C 28 68.125 68.125 70.295 -2.170 18712 5116 1 9 . 1 1 28 28 THR H H 28 8.191 8.191 8.393 -0.202 18712 5117 1 9 . 1 1 29 29 ARG N N 29 120.568 120.568 121.360 -0.792 18712 5118 1 9 . 1 1 29 29 ARG HA H 29 4.202 4.202 4.669 -0.467 18712 5119 1 9 . 1 1 29 29 ARG CA C 29 55.468 55.468 55.212 0.256 18712 5120 1 9 . 1 1 29 29 ARG CB C 29 32.266 32.266 31.822 0.444 18712 5121 1 9 . 1 1 29 29 ARG H H 29 7.995 7.995 8.404 -0.409 18712 5122 1 9 . 1 1 30 30 ASP N N 30 123.906 123.906 123.555 0.351 18712 5123 1 9 . 1 1 30 30 ASP HA H 30 4.619 4.619 4.720 -0.101 18712 5124 1 9 . 1 1 30 30 ASP CA C 30 53.359 53.359 53.781 -0.422 18712 5125 1 9 . 1 1 30 30 ASP CB C 30 38.594 38.594 42.419 -3.825 18712 5126 1 9 . 1 1 30 30 ASP H H 30 8.784 8.784 8.718 0.066 18712 5127 1 9 . 1 1 31 31 ILE N N 31 123.422 123.422 123.553 -0.131 18712 5128 1 9 . 1 1 31 31 ILE HA H 31 4.063 4.063 4.450 -0.387 18712 5129 1 9 . 1 1 31 31 ILE CA C 31 57.578 57.578 56.732 0.846 18712 5130 1 9 . 1 1 31 31 ILE CB C 31 40.703 40.703 37.246 3.457 18712 5131 1 9 . 1 1 31 31 ILE H H 31 7.404 7.404 8.079 -0.675 18712 5132 1 9 . 1 1 32 32 PRO HA H 32 4.273 4.273 4.519 -0.246 18712 5133 1 9 . 1 1 32 32 PRO CA C 32 63.554 63.554 63.029 0.525 18712 5134 1 9 . 1 1 32 32 PRO CB C 32 32.266 32.266 32.457 -0.191 18712 5135 1 9 . 1 1 33 33 ASN N N 33 114.027 114.027 115.568 -1.541 18712 5136 1 9 . 1 1 33 33 ASN HA H 33 4.269 4.269 4.348 -0.079 18712 5137 1 9 . 1 1 33 33 ASN CA C 33 55.117 55.117 53.873 1.244 18712 5138 1 9 . 1 1 33 33 ASN CB C 33 37.891 37.891 37.176 0.715 18712 5139 1 9 . 1 1 33 33 ASN H H 33 8.880 8.880 8.640 0.240 18712 5140 1 9 . 1 1 34 34 VAL N N 34 117.111 117.111 120.456 -3.345 18712 5141 1 9 . 1 1 34 34 VAL HA H 34 4.249 4.249 4.231 0.018 18712 5142 1 9 . 1 1 34 34 VAL CA C 34 62.148 62.148 61.457 0.691 18712 5143 1 9 . 1 1 34 34 VAL CB C 34 33.672 33.672 33.658 0.014 18712 5144 1 9 . 1 1 34 34 VAL H H 34 7.328 7.328 7.522 -0.194 18712 5145 1 9 . 1 1 35 35 GLY N N 35 113.600 113.600 111.437 2.163 18712 5146 1 9 . 1 1 35 35 GLY CA C 35 44.219 44.219 44.535 -0.316 18712 5147 1 9 . 1 1 35 35 GLY H H 35 8.653 8.653 8.258 0.395 18712 5148 1 9 . 1 1 36 36 GLU N N 36 118.562 118.562 122.265 -3.703 18712 5149 1 9 . 1 1 36 36 GLU HA H 36 3.888 3.888 3.966 -0.078 18712 5150 1 9 . 1 1 36 36 GLU CA C 36 59.687 59.687 59.502 0.185 18712 5151 1 9 . 1 1 36 36 GLU CB C 36 29.453 29.453 29.692 -0.239 18712 5152 1 9 . 1 1 36 36 GLU H H 36 8.457 8.457 8.873 -0.416 18712 5153 1 9 . 1 1 37 37 ASP N N 37 118.140 118.140 118.920 -0.780 18712 5154 1 9 . 1 1 37 37 ASP HA H 37 4.335 4.335 4.477 -0.142 18712 5155 1 9 . 1 1 37 37 ASP CA C 37 56.875 56.875 56.662 0.213 18712 5156 1 9 . 1 1 37 37 ASP CB C 37 40.000 40.000 40.158 -0.158 18712 5157 1 9 . 1 1 37 37 ASP H H 37 8.728 8.728 8.642 0.086 18712 5158 1 9 . 1 1 38 38 ALA N N 38 120.752 120.752 121.122 -0.370 18712 5159 1 9 . 1 1 38 38 ALA HA H 38 4.288 4.288 4.181 0.107 18712 5160 1 9 . 1 1 38 38 ALA CA C 38 53.359 53.359 54.273 -0.914 18712 5161 1 9 . 1 1 38 38 ALA CB C 38 18.555 18.555 18.975 -0.420 18712 5162 1 9 . 1 1 38 38 ALA H H 38 7.642 7.642 7.801 -0.159 18712 5163 1 9 . 1 1 39 39 LEU N N 39 117.015 117.015 111.792 5.223 18712 5164 1 9 . 1 1 39 39 LEU HA H 39 4.295 4.295 4.781 -0.486 18712 5165 1 9 . 1 1 39 39 LEU CA C 39 54.765 54.765 53.955 0.810 18712 5166 1 9 . 1 1 39 39 LEU CB C 39 43.164 43.164 41.831 1.333 18712 5167 1 9 . 1 1 39 39 LEU H H 39 7.446 7.446 7.182 0.264 18712 5168 1 9 . 1 1 40 40 ARG N N 40 118.017 118.017 119.117 -1.100 18712 5169 1 9 . 1 1 40 40 ARG HA H 40 4.064 4.064 4.125 -0.061 18712 5170 1 9 . 1 1 40 40 ARG CA C 40 59.687 59.687 58.214 1.473 18712 5171 1 9 . 1 1 40 40 ARG CB C 40 30.508 30.508 30.285 0.223 18712 5172 1 9 . 1 1 40 40 ARG H H 40 7.079 7.079 7.630 -0.551 18712 5173 1 9 . 1 1 41 41 ASN N N 41 115.439 115.439 115.892 -0.453 18712 5174 1 9 . 1 1 41 41 ASN HA H 41 4.996 4.996 4.767 0.229 18712 5175 1 9 . 1 1 41 41 ASN CA C 41 53.359 53.359 52.765 0.594 18712 5176 1 9 . 1 1 41 41 ASN CB C 41 39.297 39.297 39.574 -0.277 18712 5177 1 9 . 1 1 41 41 ASN H H 41 9.057 9.057 8.321 0.736 18712 5178 1 9 . 1 1 42 42 LEU N N 42 118.703 118.703 121.449 -2.746 18712 5179 1 9 . 1 1 42 42 LEU HA H 42 4.403 4.403 4.181 0.222 18712 5180 1 9 . 1 1 42 42 LEU CA C 42 54.062 54.062 56.363 -2.301 18712 5181 1 9 . 1 1 42 42 LEU CB C 42 42.812 42.812 42.538 0.274 18712 5182 1 9 . 1 1 42 42 LEU H H 42 7.719 7.719 7.922 -0.203 18712 5183 1 9 . 1 1 43 43 ASP N N 43 122.791 122.791 124.385 -1.594 18712 5184 1 9 . 1 1 43 43 ASP HA H 43 4.481 4.481 4.754 -0.273 18712 5185 1 9 . 1 1 43 43 ASP CA C 43 52.656 52.656 53.403 -0.747 18712 5186 1 9 . 1 1 43 43 ASP CB C 43 39.648 39.648 43.514 -3.866 18712 5187 1 9 . 1 1 43 43 ASP H H 43 8.933 8.933 8.010 0.923 18712 5188 1 9 . 1 1 44 44 ASP N N 44 114.917 114.917 120.064 -5.147 18712 5189 1 9 . 1 1 44 44 ASP HA H 44 4.278 4.278 4.532 -0.254 18712 5190 1 9 . 1 1 44 44 ASP CA C 44 56.875 56.875 56.186 0.689 18712 5191 1 9 . 1 1 44 44 ASP CB C 44 40.000 40.000 40.458 -0.458 18712 5192 1 9 . 1 1 44 44 ASP H H 44 8.281 8.281 8.817 -0.536 18712 5193 1 9 . 1 1 45 45 ARG N N 45 118.140 118.140 116.263 1.877 18712 5194 1 9 . 1 1 45 45 ARG HA H 45 4.366 4.366 4.331 0.035 18712 5195 1 9 . 1 1 45 45 ARG CA C 45 55.117 55.117 56.138 -1.021 18712 5196 1 9 . 1 1 45 45 ARG CB C 45 30.859 30.859 30.281 0.578 18712 5197 1 9 . 1 1 45 45 ARG H H 45 8.500 8.500 8.165 0.335 18712 5198 1 9 . 1 1 46 46 GLY N N 46 101.828 101.828 107.293 -5.465 18712 5199 1 9 . 1 1 46 46 GLY CA C 46 45.273 45.273 44.961 0.312 18712 5200 1 9 . 1 1 46 46 GLY H H 46 7.680 7.680 8.003 -0.323 18712 5201 1 9 . 1 1 47 47 VAL N N 47 119.955 119.955 117.648 2.307 18712 5202 1 9 . 1 1 47 47 VAL HA H 47 4.406 4.406 4.378 0.028 18712 5203 1 9 . 1 1 47 47 VAL CA C 47 61.796 61.796 58.394 3.402 18712 5204 1 9 . 1 1 47 47 VAL CB C 47 33.672 33.672 34.382 -0.710 18712 5205 1 9 . 1 1 47 47 VAL H H 47 8.007 8.007 7.367 0.640 18712 5206 1 9 . 1 1 48 48 ILE N N 48 128.406 128.406 127.383 1.023 18712 5207 1 9 . 1 1 48 48 ILE HA H 48 4.202 4.202 3.982 0.220 18712 5208 1 9 . 1 1 48 48 ILE CA C 48 59.687 59.687 60.977 -1.290 18712 5209 1 9 . 1 1 48 48 ILE CB C 48 38.945 38.945 36.332 2.613 18712 5210 1 9 . 1 1 48 48 ILE H H 48 8.145 8.145 8.320 -0.175 18712 5211 1 9 . 1 1 49 49 ARG N N 49 123.765 123.765 127.484 -3.719 18712 5212 1 9 . 1 1 49 49 ARG HA H 49 4.328 4.328 4.184 0.144 18712 5213 1 9 . 1 1 49 49 ARG CA C 49 56.875 56.875 55.650 1.225 18712 5214 1 9 . 1 1 49 49 ARG CB C 49 31.563 31.563 30.888 0.675 18712 5215 1 9 . 1 1 49 49 ARG H H 49 7.447 7.447 8.111 -0.664 18712 5216 1 9 . 1 1 50 50 ILE N N 50 121.094 121.094 121.493 -0.399 18712 5217 1 9 . 1 1 50 50 ILE HA H 50 3.414 3.414 3.690 -0.276 18712 5218 1 9 . 1 1 50 50 ILE CA C 50 64.609 64.609 61.668 2.941 18712 5219 1 9 . 1 1 50 50 ILE H H 50 8.284 8.284 8.112 0.172 18712 5220 1 9 . 1 1 51 51 GLY N N 51 115.791 115.791 113.242 2.549 18712 5221 1 9 . 1 1 51 51 GLY CA C 51 44.922 44.922 45.174 -0.252 18712 5222 1 9 . 1 1 51 51 GLY H H 51 8.679 8.679 8.886 -0.207 18712 5223 1 9 . 1 1 52 52 ALA N N 52 122.065 122.065 122.745 -0.680 18712 5224 1 9 . 1 1 52 52 ALA HA H 52 4.246 4.246 4.561 -0.315 18712 5225 1 9 . 1 1 52 52 ALA CA C 52 52.656 52.656 50.610 2.046 18712 5226 1 9 . 1 1 52 52 ALA CB C 52 18.906 18.906 20.335 -1.429 18712 5227 1 9 . 1 1 52 52 ALA H H 52 7.496 7.496 7.582 -0.087 18712 5228 1 9 . 1 1 53 53 GLU N N 53 121.468 121.468 124.355 -2.887 18712 5229 1 9 . 1 1 53 53 GLU HA H 53 4.892 4.892 4.226 0.666 18712 5230 1 9 . 1 1 53 53 GLU CB C 53 30.508 30.508 30.496 0.012 18712 5231 1 9 . 1 1 53 53 GLU H H 53 8.427 8.427 8.652 -0.225 18712 5232 1 9 . 1 1 54 54 VAL N N 54 117.437 117.437 125.696 -8.259 18712 5233 1 9 . 1 1 54 54 VAL HA H 54 4.979 4.979 4.139 0.840 18712 5234 1 9 . 1 1 54 54 VAL CA C 54 58.632 58.632 61.338 -2.706 18712 5235 1 9 . 1 1 54 54 VAL CB C 54 35.781 35.781 32.834 2.947 18712 5236 1 9 . 1 1 54 54 VAL H H 54 9.002 9.002 8.119 0.883 18712 5237 1 9 . 1 1 55 55 LYS N N 55 123.906 123.906 124.046 -0.140 18712 5238 1 9 . 1 1 55 55 LYS HA H 55 4.698 4.698 4.576 0.122 18712 5239 1 9 . 1 1 55 55 LYS CA C 55 53.359 53.359 54.760 -1.401 18712 5240 1 9 . 1 1 55 55 LYS CB C 55 35.781 35.781 34.934 0.847 18712 5241 1 9 . 1 1 55 55 LYS H H 55 9.244 9.244 7.923 1.321 18712 5242 1 9 . 1 1 56 56 ASP N N 56 118.562 118.562 120.772 -2.210 18712 5243 1 9 . 1 1 56 56 ASP HA H 56 3.764 3.764 4.413 -0.649 18712 5244 1 9 . 1 1 56 56 ASP CA C 56 56.172 56.172 55.957 0.215 18712 5245 1 9 . 1 1 56 56 ASP CB C 56 40.000 40.000 39.943 0.057 18712 5246 1 9 . 1 1 56 56 ASP H H 56 8.176 8.176 9.019 -0.843 18712 5247 1 9 . 1 1 57 57 GLY N N 57 112.515 112.515 112.246 0.269 18712 5248 1 9 . 1 1 57 57 GLY CA C 57 45.625 45.625 45.053 0.572 18712 5249 1 9 . 1 1 57 57 GLY H H 57 8.841 8.841 8.709 0.132 18712 5250 1 9 . 1 1 58 58 ASP N N 58 121.375 121.375 123.022 -1.647 18712 5251 1 9 . 1 1 58 58 ASP HA H 58 4.532 4.532 4.882 -0.350 18712 5252 1 9 . 1 1 58 58 ASP CA C 58 54.765 54.765 52.736 2.029 18712 5253 1 9 . 1 1 58 58 ASP CB C 58 41.055 41.055 39.724 1.331 18712 5254 1 9 . 1 1 58 58 ASP H H 58 8.209 8.209 8.016 0.193 18712 5255 1 9 . 1 1 59 59 LEU N N 59 119.828 119.828 122.008 -2.180 18712 5256 1 9 . 1 1 59 59 LEU HA H 59 3.976 3.976 4.061 -0.085 18712 5257 1 9 . 1 1 59 59 LEU CA C 59 56.875 56.875 55.943 0.932 18712 5258 1 9 . 1 1 59 59 LEU CB C 59 44.219 44.219 42.599 1.620 18712 5259 1 9 . 1 1 59 59 LEU H H 59 8.570 8.570 7.630 0.940 18712 5260 1 9 . 1 1 60 60 LEU N N 60 116.594 116.594 112.684 3.910 18712 5261 1 9 . 1 1 60 60 LEU HA H 60 4.518 4.518 4.007 0.511 18712 5262 1 9 . 1 1 60 60 LEU CB C 60 44.922 44.922 40.230 4.692 18712 5263 1 9 . 1 1 60 60 LEU H H 60 8.816 8.816 7.991 0.825 18712 5264 1 9 . 1 1 61 61 VAL N N 61 115.656 115.656 116.795 -1.139 18712 5265 1 9 . 1 1 61 61 VAL HA H 61 4.618 4.618 4.300 0.318 18712 5266 1 9 . 1 1 61 61 VAL CA C 61 61.093 61.093 61.178 -0.085 18712 5267 1 9 . 1 1 61 61 VAL CB C 61 36.484 36.484 35.316 1.168 18712 5268 1 9 . 1 1 61 61 VAL H H 61 7.322 7.322 7.315 0.007 18712 5269 1 9 . 1 1 62 62 GLY N N 62 117.191 117.191 114.289 2.902 18712 5270 1 9 . 1 1 62 62 GLY CA C 62 45.625 45.625 44.444 1.181 18712 5271 1 9 . 1 1 62 62 GLY H H 62 9.563 9.563 8.294 1.269 18712 5272 1 9 . 1 1 63 63 LYS N N 63 127.584 127.584 126.439 1.145 18712 5273 1 9 . 1 1 63 63 LYS HA H 63 5.328 5.328 4.698 0.630 18712 5274 1 9 . 1 1 63 63 LYS CA C 63 56.172 56.172 55.495 0.677 18712 5275 1 9 . 1 1 63 63 LYS CB C 63 35.078 35.078 35.889 -0.811 18712 5276 1 9 . 1 1 63 63 LYS H H 63 8.712 8.712 7.821 0.891 18712 5277 1 9 . 1 1 64 64 VAL N N 64 114.383 114.383 120.254 -5.871 18712 5278 1 9 . 1 1 64 64 VAL HA H 64 5.523 5.523 4.863 0.660 18712 5279 1 9 . 1 1 64 64 VAL CA C 64 57.578 57.578 59.973 -2.395 18712 5280 1 9 . 1 1 64 64 VAL CB C 64 35.781 35.781 33.903 1.878 18712 5281 1 9 . 1 1 64 64 VAL H H 64 8.481 8.481 8.021 0.460 18712 5282 1 9 . 1 1 65 65 THR N N 65 118.431 118.431 116.521 1.910 18712 5283 1 9 . 1 1 65 65 THR HA H 65 4.602 4.602 4.909 -0.307 18712 5284 1 9 . 1 1 65 65 THR CA C 65 59.687 59.687 58.643 1.044 18712 5285 1 9 . 1 1 65 65 THR CB C 65 72.343 72.343 69.072 3.271 18712 5286 1 9 . 1 1 65 65 THR H H 65 8.637 8.637 7.992 0.645 18712 5287 1 9 . 1 1 66 66 PRO HA H 66 4.557 4.557 4.412 0.145 18712 5288 1 9 . 1 1 66 66 PRO CA C 66 63.906 63.906 62.828 1.078 18712 5289 1 9 . 1 1 66 66 PRO CB C 66 32.969 32.969 32.506 0.463 18712 5290 1 9 . 1 1 67 67 LYS N N 67 122.359 122.359 119.608 2.751 18712 5291 1 9 . 1 1 67 67 LYS HA H 67 4.391 4.391 4.598 -0.207 18712 5292 1 9 . 1 1 67 67 LYS CA C 67 56.172 56.172 54.678 1.494 18712 5293 1 9 . 1 1 67 67 LYS CB C 67 35.078 35.078 36.224 -1.146 18712 5294 1 9 . 1 1 67 67 LYS H H 67 8.371 8.371 7.845 0.526 18712 5295 1 9 . 1 1 68 68 GLY N N 68 109.563 109.563 107.612 1.951 18712 5296 1 9 . 1 1 68 68 GLY CA C 68 44.922 44.922 44.043 0.879 18712 5297 1 9 . 1 1 68 68 GLY H H 68 8.583 8.583 8.596 -0.013 18712 5298 1 9 . 1 1 69 69 VAL N N 69 118.378 118.378 118.450 -0.072 18712 5299 1 9 . 1 1 69 69 VAL HA H 69 4.032 4.032 4.288 -0.256 18712 5300 1 9 . 1 1 69 69 VAL CA C 69 63.203 63.203 63.816 -0.613 18712 5301 1 9 . 1 1 69 69 VAL CB C 69 32.266 32.266 31.855 0.410 18712 5302 1 9 . 1 1 69 69 VAL H H 69 8.235 8.235 8.486 -0.251 18712 5303 1 9 . 1 1 70 70 THR N N 70 114.484 114.484 115.089 -0.605 18712 5304 1 9 . 1 1 70 70 THR HA H 70 4.281 4.281 4.144 0.137 18712 5305 1 9 . 1 1 70 70 THR CA C 70 62.500 62.500 65.252 -2.752 18712 5306 1 9 . 1 1 70 70 THR CB C 70 69.531 69.531 68.452 1.079 18712 5307 1 9 . 1 1 70 70 THR H H 70 8.085 8.085 7.839 0.246 18712 5308 1 9 . 1 1 71 71 GLU N N 71 121.656 121.656 121.394 0.262 18712 5309 1 9 . 1 1 71 71 GLU HA H 71 4.325 4.325 4.439 -0.114 18712 5310 1 9 . 1 1 71 71 GLU CA C 71 56.172 56.172 55.818 0.354 18712 5311 1 9 . 1 1 71 71 GLU CB C 71 30.859 30.859 29.601 1.258 18712 5312 1 9 . 1 1 71 71 GLU H H 71 8.175 8.175 7.810 0.365 18712 5313 1 9 . 1 1 72 72 LEU N N 72 122.219 122.219 119.385 2.834 18712 5314 1 9 . 1 1 72 72 LEU HA H 72 4.534 4.534 4.561 -0.027 18712 5315 1 9 . 1 1 72 72 LEU CA C 72 54.765 54.765 54.134 0.631 18712 5316 1 9 . 1 1 72 72 LEU CB C 72 42.812 42.812 43.645 -0.834 18712 5317 1 9 . 1 1 72 72 LEU H H 72 7.770 7.770 7.272 0.498 18712 5318 1 9 . 1 1 73 73 THR N N 73 114.407 114.407 112.288 2.119 18712 5319 1 9 . 1 1 73 73 THR HA H 73 4.405 4.405 4.662 -0.257 18712 5320 1 9 . 1 1 73 73 THR CA C 73 61.093 61.093 60.397 0.696 18712 5321 1 9 . 1 1 73 73 THR CB C 73 70.937 70.937 70.540 0.397 18712 5322 1 9 . 1 1 73 73 THR H H 73 8.869 8.869 7.900 0.969 18712 5323 1 9 . 1 1 74 74 ALA N N 74 123.782 123.782 122.856 0.926 18712 5324 1 9 . 1 1 74 74 ALA HA H 74 4.026 4.026 4.165 -0.139 18712 5325 1 9 . 1 1 74 74 ALA CA C 74 55.468 55.468 54.702 0.766 18712 5326 1 9 . 1 1 74 74 ALA CB C 74 18.203 18.203 18.146 0.057 18712 5327 1 9 . 1 1 74 74 ALA H H 74 8.831 8.831 8.698 0.133 18712 5328 1 9 . 1 1 75 75 GLU N N 75 117.578 117.578 117.212 0.366 18712 5329 1 9 . 1 1 75 75 GLU HA H 75 4.043 4.043 4.173 -0.130 18712 5330 1 9 . 1 1 75 75 GLU CA C 75 59.687 59.687 58.995 0.692 18712 5331 1 9 . 1 1 75 75 GLU CB C 75 29.453 29.453 28.975 0.478 18712 5332 1 9 . 1 1 75 75 GLU H H 75 8.637 8.637 8.730 -0.093 18712 5333 1 9 . 1 1 76 76 GLU N N 76 120.042 120.042 119.588 0.454 18712 5334 1 9 . 1 1 76 76 GLU HA H 76 4.010 4.010 4.195 -0.185 18712 5335 1 9 . 1 1 76 76 GLU CA C 76 58.281 58.281 58.390 -0.109 18712 5336 1 9 . 1 1 76 76 GLU CB C 76 30.859 30.859 29.819 1.040 18712 5337 1 9 . 1 1 76 76 GLU H H 76 7.847 7.847 7.463 0.384 18712 5338 1 9 . 1 1 77 77 ARG N N 77 119.687 119.687 118.172 1.515 18712 5339 1 9 . 1 1 77 77 ARG HA H 77 3.975 3.975 4.160 -0.185 18712 5340 1 9 . 1 1 77 77 ARG CA C 77 58.984 58.984 59.057 -0.073 18712 5341 1 9 . 1 1 77 77 ARG CB C 77 30.156 30.156 29.977 0.179 18712 5342 1 9 . 1 1 77 77 ARG H H 77 8.452 8.452 8.504 -0.052 18712 5343 1 9 . 1 1 78 78 LEU N N 78 120.250 120.250 117.048 3.202 18712 5344 1 9 . 1 1 78 78 LEU HA H 78 4.210 4.210 4.444 -0.234 18712 5345 1 9 . 1 1 78 78 LEU CA C 78 56.875 56.875 56.964 -0.089 18712 5346 1 9 . 1 1 78 78 LEU CB C 78 42.109 42.109 41.922 0.187 18712 5347 1 9 . 1 1 78 78 LEU H H 78 7.685 7.685 7.482 0.203 18712 5348 1 9 . 1 1 79 79 LEU N N 79 119.265 119.265 120.960 -1.695 18712 5349 1 9 . 1 1 79 79 LEU HA H 79 4.208 4.208 3.962 0.246 18712 5350 1 9 . 1 1 79 79 LEU CA C 79 56.875 56.875 57.641 -0.766 18712 5351 1 9 . 1 1 79 79 LEU CB C 79 42.109 42.109 41.299 0.810 18712 5352 1 9 . 1 1 79 79 LEU H H 79 7.679 7.679 7.261 0.418 18712 5353 1 9 . 1 1 80 80 HIS N N 80 118.348 118.348 118.004 0.344 18712 5354 1 9 . 1 1 80 80 HIS HA H 80 4.422 4.422 4.352 0.070 18712 5355 1 9 . 1 1 80 80 HIS CA C 80 57.578 57.578 59.610 -2.032 18712 5356 1 9 . 1 1 80 80 HIS CB C 80 30.156 30.156 29.592 0.564 18712 5357 1 9 . 1 1 80 80 HIS H H 80 8.127 8.127 7.772 0.355 18712 5358 1 9 . 1 1 81 81 ALA N N 81 122.359 122.359 121.687 0.672 18712 5359 1 9 . 1 1 81 81 ALA HA H 81 4.204 4.204 4.187 0.017 18712 5360 1 9 . 1 1 81 81 ALA CA C 81 54.062 54.062 54.606 -0.544 18712 5361 1 9 . 1 1 81 81 ALA CB C 81 18.906 18.906 18.192 0.714 18712 5362 1 9 . 1 1 81 81 ALA H H 81 7.908 7.908 7.769 0.139 18712 5363 1 9 . 1 1 82 82 ILE N N 82 117.705 117.705 117.976 -0.271 18712 5364 1 9 . 1 1 82 82 ILE HA H 82 3.972 3.972 3.834 0.138 18712 5365 1 9 . 1 1 82 82 ILE CA C 82 62.500 62.500 62.797 -0.298 18712 5366 1 9 . 1 1 82 82 ILE CB C 82 38.594 38.594 37.095 1.499 18712 5367 1 9 . 1 1 82 82 ILE H H 82 7.780 7.780 7.168 0.612 18712 5368 1 9 . 1 1 83 83 PHE N N 83 120.528 120.528 118.307 2.221 18712 5369 1 9 . 1 1 83 83 PHE HA H 83 4.633 4.633 4.364 0.269 18712 5370 1 9 . 1 1 83 83 PHE CA C 83 58.281 58.281 59.297 -1.016 18712 5371 1 9 . 1 1 83 83 PHE CB C 83 40.000 40.000 39.877 0.123 18712 5372 1 9 . 1 1 83 83 PHE H H 83 8.227 8.227 7.793 0.434 18712 5373 1 9 . 1 1 84 84 GLY N N 84 110.328 110.328 106.602 3.726 18712 5374 1 9 . 1 1 84 84 GLY CA C 84 45.625 45.625 45.577 0.048 18712 5375 1 9 . 1 1 84 84 GLY H H 84 8.157 8.157 8.193 -0.036 18712 5376 1 9 . 1 1 85 85 GLU N N 85 120.975 120.975 118.352 2.623 18712 5377 1 9 . 1 1 85 85 GLU HA H 85 4.234 4.234 4.496 -0.262 18712 5378 1 9 . 1 1 85 85 GLU CA C 85 57.226 57.226 55.102 2.124 18712 5379 1 9 . 1 1 85 85 GLU CB C 85 30.156 30.156 33.358 -3.202 18712 5380 1 9 . 1 1 85 85 GLU H H 85 8.374 8.374 8.206 0.168 18712 5381 1 9 . 1 1 86 86 LYS N N 86 121.202 121.202 122.720 -1.518 18712 5382 1 9 . 1 1 86 86 LYS HA H 86 4.291 4.291 4.358 -0.067 18712 5383 1 9 . 1 1 86 86 LYS CA C 86 56.172 56.172 56.886 -0.714 18712 5384 1 9 . 1 1 86 86 LYS CB C 86 32.969 32.969 32.855 0.114 18712 5385 1 9 . 1 1 86 86 LYS H H 86 8.230 8.230 8.458 -0.228 18712 5386 1 9 . 1 1 87 87 ALA N N 87 124.596 124.596 125.699 -1.103 18712 5387 1 9 . 1 1 87 87 ALA HA H 87 4.236 4.236 4.655 -0.419 18712 5388 1 9 . 1 1 87 87 ALA CA C 87 52.656 52.656 51.255 1.401 18712 5389 1 9 . 1 1 87 87 ALA CB C 87 19.610 19.610 20.466 -0.856 18712 5390 1 9 . 1 1 87 87 ALA H H 87 8.179 8.179 8.232 -0.053 18712 5391 1 9 . 1 1 88 88 ARG N N 88 120.688 120.688 121.012 -0.324 18712 5392 1 9 . 1 1 88 88 ARG HA H 88 4.344 4.344 4.564 -0.220 18712 5393 1 9 . 1 1 88 88 ARG CA C 88 56.172 56.172 55.792 0.380 18712 5394 1 9 . 1 1 88 88 ARG CB C 88 30.859 30.859 30.119 0.740 18712 5395 1 9 . 1 1 88 88 ARG H H 88 8.274 8.274 8.476 -0.202 18712 5396 1 9 . 1 1 89 89 GLU N N 89 124.469 124.469 124.182 0.287 18712 5397 1 9 . 1 1 89 89 GLU HA H 89 4.575 4.575 4.675 -0.100 18712 5398 1 9 . 1 1 89 89 GLU CA C 89 55.468 55.468 55.452 0.016 18712 5399 1 9 . 1 1 89 89 GLU CB C 89 30.156 30.156 31.152 -0.996 18712 5400 1 9 . 1 1 89 89 GLU H H 89 8.632 8.632 8.772 -0.140 18712 5401 1 9 . 1 1 90 90 VAL N N 90 114.440 114.440 117.519 -3.079 18712 5402 1 9 . 1 1 90 90 VAL HA H 90 5.047 5.047 4.487 0.560 18712 5403 1 9 . 1 1 90 90 VAL CA C 90 58.984 58.984 59.423 -0.439 18712 5404 1 9 . 1 1 90 90 VAL CB C 90 36.484 36.484 34.630 1.854 18712 5405 1 9 . 1 1 90 90 VAL H H 90 8.246 8.246 8.323 -0.077 18712 5406 1 9 . 1 1 91 91 ARG N N 91 118.602 118.602 121.522 -2.920 18712 5407 1 9 . 1 1 91 91 ARG HA H 91 4.771 4.771 4.563 0.208 18712 5408 1 9 . 1 1 91 91 ARG CB C 91 33.672 33.672 32.337 1.335 18712 5409 1 9 . 1 1 91 91 ARG H H 91 9.062 9.062 8.887 0.175 18712 5410 1 9 . 1 1 92 92 ASP N N 92 121.656 121.656 125.621 -3.965 18712 5411 1 9 . 1 1 92 92 ASP HA H 92 4.754 4.754 4.520 0.234 18712 5412 1 9 . 1 1 92 92 ASP CB C 92 41.406 41.406 40.048 1.358 18712 5413 1 9 . 1 1 92 92 ASP H H 92 8.770 8.770 8.714 0.056 18712 5414 1 9 . 1 1 93 93 THR N N 93 124.654 124.654 112.624 12.030 18712 5415 1 9 . 1 1 93 93 THR HA H 93 4.586 4.586 4.489 0.097 18712 5416 1 9 . 1 1 93 93 THR CA C 93 60.390 60.390 61.010 -0.620 18712 5417 1 9 . 1 1 93 93 THR CB C 93 66.718 66.718 69.869 -3.151 18712 5418 1 9 . 1 1 93 93 THR H H 93 9.253 9.253 7.792 1.461 18712 5419 1 9 . 1 1 94 94 SER N N 94 117.437 117.437 117.296 0.141 18712 5420 1 9 . 1 1 94 94 SER HA H 94 4.455 4.455 4.488 -0.033 18712 5421 1 9 . 1 1 94 94 SER CA C 94 60.390 60.390 58.685 1.705 18712 5422 1 9 . 1 1 94 94 SER CB C 94 63.906 63.906 64.444 -0.538 18712 5423 1 9 . 1 1 94 94 SER H H 94 8.564 8.564 7.734 0.830 18712 5424 1 9 . 1 1 95 95 LEU N N 95 125.594 125.594 122.248 3.346 18712 5425 1 9 . 1 1 95 95 LEU HA H 95 4.684 4.684 4.387 0.297 18712 5426 1 9 . 1 1 95 95 LEU CB C 95 43.516 43.516 43.189 0.327 18712 5427 1 9 . 1 1 95 95 LEU H H 95 8.964 8.964 8.394 0.570 18712 5428 1 9 . 1 1 96 96 ARG N N 96 128.669 128.669 123.488 5.181 18712 5429 1 9 . 1 1 96 96 ARG HA H 96 5.061 5.061 4.478 0.583 18712 5430 1 9 . 1 1 96 96 ARG CA C 96 54.062 54.062 55.273 -1.211 18712 5431 1 9 . 1 1 96 96 ARG CB C 96 34.375 34.375 31.035 3.340 18712 5432 1 9 . 1 1 96 96 ARG H H 96 8.709 8.709 8.439 0.270 18712 5433 1 9 . 1 1 97 97 VAL N N 97 121.375 121.375 125.452 -4.077 18712 5434 1 9 . 1 1 97 97 VAL HA H 97 3.386 3.386 4.222 -0.836 18712 5435 1 9 . 1 1 97 97 VAL CA C 97 61.093 61.093 58.388 2.705 18712 5436 1 9 . 1 1 97 97 VAL CB C 97 32.266 32.266 34.394 -2.128 18712 5437 1 9 . 1 1 97 97 VAL H H 97 8.745 8.745 8.281 0.464 18712 5438 1 9 . 1 1 98 98 PRO HA H 98 4.543 4.543 4.519 0.024 18712 5439 1 9 . 1 1 98 98 PRO CA C 98 62.500 62.500 62.484 0.016 18712 5440 1 9 . 1 1 98 98 PRO CB C 98 32.969 32.969 32.618 0.351 18712 5441 1 9 . 1 1 99 99 HIS N N 99 118.140 118.140 119.544 -1.404 18712 5442 1 9 . 1 1 99 99 HIS HA H 99 4.272 4.272 4.374 -0.102 18712 5443 1 9 . 1 1 99 99 HIS CA C 99 58.281 58.281 57.583 0.698 18712 5444 1 9 . 1 1 99 99 HIS CB C 99 30.156 30.156 30.644 -0.488 18712 5445 1 9 . 1 1 99 99 HIS H H 99 8.368 8.368 8.433 -0.065 18712 5446 1 9 . 1 1 100 100 GLY N N 100 116.101 116.101 116.147 -0.046 18712 5447 1 9 . 1 1 100 100 GLY CA C 100 45.625 45.625 45.276 0.349 18712 5448 1 9 . 1 1 100 100 GLY H H 100 9.411 9.411 8.993 0.418 18712 5449 1 9 . 1 1 101 101 GLY N N 101 108.798 108.798 109.696 -0.898 18712 5450 1 9 . 1 1 101 101 GLY CA C 101 45.625 45.625 45.165 0.460 18712 5451 1 9 . 1 1 101 101 GLY H H 101 8.399 8.399 7.716 0.683 18712 5452 1 9 . 1 1 102 102 GLY N N 102 105.967 105.967 108.512 -2.545 18712 5453 1 9 . 1 1 102 102 GLY CA C 102 45.625 45.625 45.271 0.354 18712 5454 1 9 . 1 1 102 102 GLY H H 102 8.310 8.310 7.736 0.574 18712 5455 1 9 . 1 1 103 103 GLY N N 103 107.574 107.574 106.935 0.639 18712 5456 1 9 . 1 1 103 103 GLY CA C 103 46.328 46.328 43.654 2.674 18712 5457 1 9 . 1 1 103 103 GLY H H 103 8.075 8.075 7.516 0.559 18712 5458 1 9 . 1 1 104 104 ILE N N 104 122.219 122.219 118.486 3.733 18712 5459 1 9 . 1 1 104 104 ILE HA H 104 5.075 5.075 4.444 0.631 18712 5460 1 9 . 1 1 104 104 ILE CA C 104 58.281 58.281 60.205 -1.924 18712 5461 1 9 . 1 1 104 104 ILE CB C 104 40.703 40.703 42.581 -1.878 18712 5462 1 9 . 1 1 104 104 ILE H H 104 8.269 8.269 7.611 0.658 18712 5463 1 9 . 1 1 105 105 ILE N N 105 124.237 124.237 124.775 -0.538 18712 5464 1 9 . 1 1 105 105 ILE HA H 105 4.312 4.312 4.268 0.044 18712 5465 1 9 . 1 1 105 105 ILE CA C 105 60.390 60.390 61.362 -0.972 18712 5466 1 9 . 1 1 105 105 ILE CB C 105 34.375 34.375 35.119 -0.744 18712 5467 1 9 . 1 1 105 105 ILE H H 105 8.965 8.965 8.437 0.528 18712 5468 1 9 . 1 1 106 106 HIS N N 106 135.053 135.053 128.560 6.493 18712 5469 1 9 . 1 1 106 106 HIS HA H 106 4.506 4.506 4.664 -0.158 18712 5470 1 9 . 1 1 106 106 HIS CA C 106 57.578 57.578 56.905 0.673 18712 5471 1 9 . 1 1 106 106 HIS CB C 106 33.672 33.672 32.141 1.531 18712 5472 1 9 . 1 1 106 106 HIS H H 106 9.604 9.604 8.375 1.229 18712 5473 1 9 . 1 1 107 107 ASP N N 107 112.528 112.528 119.021 -6.493 18712 5474 1 9 . 1 1 107 107 ASP HA H 107 4.707 4.707 4.806 -0.100 18712 5475 1 9 . 1 1 107 107 ASP CB C 107 42.812 42.812 45.159 -2.347 18712 5476 1 9 . 1 1 107 107 ASP H H 107 7.930 7.930 7.798 0.132 18712 5477 1 9 . 1 1 108 108 VAL N N 108 121.656 121.656 120.034 1.622 18712 5478 1 9 . 1 1 108 108 VAL HA H 108 5.028 5.028 4.525 0.503 18712 5479 1 9 . 1 1 108 108 VAL CA C 108 61.796 61.796 61.280 0.516 18712 5480 1 9 . 1 1 108 108 VAL CB C 108 36.484 36.484 34.965 1.519 18712 5481 1 9 . 1 1 108 108 VAL H H 108 8.325 8.325 8.321 0.004 18712 5482 1 9 . 1 1 109 109 LYS N N 109 126.798 126.798 128.304 -1.506 18712 5483 1 9 . 1 1 109 109 LYS HA H 109 4.676 4.676 4.657 0.019 18712 5484 1 9 . 1 1 109 109 LYS CB C 109 37.187 37.187 34.515 2.672 18712 5485 1 9 . 1 1 109 109 LYS H H 109 9.417 9.417 8.736 0.681 18712 5486 1 9 . 1 1 110 110 VAL N N 110 121.892 121.892 123.345 -1.453 18712 5487 1 9 . 1 1 110 110 VAL HA H 110 4.676 4.676 4.329 0.347 18712 5488 1 9 . 1 1 110 110 VAL CB C 110 33.672 33.672 34.624 -0.952 18712 5489 1 9 . 1 1 110 110 VAL H H 110 8.206 8.206 8.260 -0.054 18712 5490 1 9 . 1 1 111 111 PHE N N 111 126.578 126.578 127.852 -1.274 18712 5491 1 9 . 1 1 111 111 PHE HA H 111 4.995 4.995 4.829 0.166 18712 5492 1 9 . 1 1 111 111 PHE CA C 111 56.172 56.172 55.721 0.451 18712 5493 1 9 . 1 1 111 111 PHE CB C 111 42.109 42.109 41.052 1.057 18712 5494 1 9 . 1 1 111 111 PHE H H 111 9.459 9.459 9.076 0.383 18712 5495 1 9 . 1 1 112 112 ASN N N 112 121.797 121.797 120.730 1.067 18712 5496 1 9 . 1 1 112 112 ASN HA H 112 5.425 5.425 5.115 0.310 18712 5497 1 9 . 1 1 112 112 ASN CA C 112 52.656 52.656 51.433 1.223 18712 5498 1 9 . 1 1 112 112 ASN CB C 112 42.109 42.109 41.956 0.153 18712 5499 1 9 . 1 1 112 112 ASN H H 112 10.663 10.663 8.875 1.788 18712 5500 1 9 . 1 1 113 113 ARG N N 113 130.516 130.516 125.745 4.771 18712 5501 1 9 . 1 1 113 113 ARG HA H 113 4.435 4.435 4.430 0.005 18712 5502 1 9 . 1 1 113 113 ARG CA C 113 59.687 59.687 59.137 0.550 18712 5503 1 9 . 1 1 113 113 ARG CB C 113 30.859 30.859 30.015 0.844 18712 5504 1 9 . 1 1 113 113 ARG H H 113 9.138 9.138 9.001 0.137 18712 5505 1 9 . 1 1 114 114 GLU N N 114 119.008 119.008 120.335 -1.327 18712 5506 1 9 . 1 1 114 114 GLU HA H 114 4.142 4.142 4.128 0.014 18712 5507 1 9 . 1 1 114 114 GLU CA C 114 58.281 58.281 58.654 -0.373 18712 5508 1 9 . 1 1 114 114 GLU CB C 114 29.453 29.453 29.083 0.370 18712 5509 1 9 . 1 1 114 114 GLU H H 114 8.924 8.924 8.658 0.266 18712 5510 1 9 . 1 1 115 115 ASP N N 115 116.593 116.593 117.672 -1.079 18712 5511 1 9 . 1 1 115 115 ASP HA H 115 4.869 4.869 4.573 0.296 18712 5512 1 9 . 1 1 115 115 ASP CA C 115 54.062 54.062 54.231 -0.169 18712 5513 1 9 . 1 1 115 115 ASP CB C 115 42.109 42.109 41.411 0.698 18712 5514 1 9 . 1 1 115 115 ASP H H 115 7.356 7.356 7.675 -0.319 18712 5515 1 9 . 1 1 116 116 GLY N N 116 106.689 106.689 107.442 -0.753 18712 5516 1 9 . 1 1 116 116 GLY CA C 116 44.922 44.922 44.612 0.310 18712 5517 1 9 . 1 1 116 116 GLY H H 116 7.918 7.918 7.695 0.223 18712 5518 1 9 . 1 1 117 117 ASP N N 117 119.329 119.329 120.962 -1.633 18712 5519 1 9 . 1 1 117 117 ASP HA H 117 4.632 4.632 4.698 -0.066 18712 5520 1 9 . 1 1 117 117 ASP CA C 117 55.468 55.468 53.268 2.200 18712 5521 1 9 . 1 1 117 117 ASP CB C 117 41.406 41.406 42.295 -0.889 18712 5522 1 9 . 1 1 117 117 ASP H H 117 7.220 7.220 7.798 -0.578 18712 5523 1 9 . 1 1 118 118 GLU N N 118 123.484 123.484 124.394 -0.910 18712 5524 1 9 . 1 1 118 118 GLU HA H 118 4.240 4.240 4.453 -0.213 18712 5525 1 9 . 1 1 118 118 GLU CA C 118 56.875 56.875 56.441 0.434 18712 5526 1 9 . 1 1 118 118 GLU CB C 118 29.453 29.453 30.873 -1.420 18712 5527 1 9 . 1 1 118 118 GLU H H 118 8.626 8.626 8.569 0.058 18712 5528 1 9 . 1 1 119 119 LEU N N 119 129.139 129.139 125.769 3.370 18712 5529 1 9 . 1 1 119 119 LEU HA H 119 4.759 4.759 4.662 0.096 18712 5530 1 9 . 1 1 119 119 LEU CB C 119 44.219 44.219 44.234 -0.015 18712 5531 1 9 . 1 1 119 119 LEU H H 119 8.106 8.106 8.321 -0.215 18712 5532 1 9 . 1 1 120 120 PRO CB C 120 31.914 31.914 31.125 0.789 18712 5533 1 9 . 1 1 121 121 PRO HA H 121 4.269 4.269 4.330 -0.061 18712 5534 1 9 . 1 1 121 121 PRO CA C 121 63.906 63.906 63.735 0.171 18712 5535 1 9 . 1 1 121 121 PRO CB C 121 31.563 31.563 31.041 0.522 18712 5536 1 9 . 1 1 122 122 GLY N N 122 112.656 112.656 111.579 1.077 18712 5537 1 9 . 1 1 122 122 GLY CA C 122 45.625 45.625 44.887 0.738 18712 5538 1 9 . 1 1 122 122 GLY H H 122 8.827 8.827 8.714 0.113 18712 5539 1 9 . 1 1 123 123 VAL N N 123 119.406 119.406 119.207 0.199 18712 5540 1 9 . 1 1 123 123 VAL HA H 123 4.017 4.017 4.371 -0.354 18712 5541 1 9 . 1 1 123 123 VAL CA C 123 62.851 62.851 61.646 1.205 18712 5542 1 9 . 1 1 123 123 VAL CB C 123 32.266 32.266 33.639 -1.373 18712 5543 1 9 . 1 1 123 123 VAL H H 123 7.845 7.845 7.411 0.434 18712 5544 1 9 . 1 1 124 124 ASN N N 124 124.609 124.609 120.798 3.811 18712 5545 1 9 . 1 1 124 124 ASN HA H 124 4.877 4.877 4.925 -0.048 18712 5546 1 9 . 1 1 124 124 ASN CA C 124 54.765 54.765 53.418 1.347 18712 5547 1 9 . 1 1 124 124 ASN CB C 124 40.000 40.000 41.019 -1.019 18712 5548 1 9 . 1 1 124 124 ASN H H 124 9.206 9.206 8.879 0.327 18712 5549 1 9 . 1 1 125 125 GLN N N 125 117.959 117.959 115.739 2.220 18712 5550 1 9 . 1 1 125 125 GLN HA H 125 5.234 5.234 4.629 0.605 18712 5551 1 9 . 1 1 125 125 GLN CA C 125 56.172 56.172 55.229 0.943 18712 5552 1 9 . 1 1 125 125 GLN CB C 125 33.672 33.672 33.462 0.210 18712 5553 1 9 . 1 1 125 125 GLN H H 125 7.756 7.756 7.596 0.160 18712 5554 1 9 . 1 1 126 126 LEU N N 126 125.559 125.559 122.021 3.538 18712 5555 1 9 . 1 1 126 126 LEU HA H 126 5.261 5.261 4.983 0.278 18712 5556 1 9 . 1 1 126 126 LEU CA C 126 54.765 54.765 54.631 0.134 18712 5557 1 9 . 1 1 126 126 LEU CB C 126 47.734 47.734 46.092 1.642 18712 5558 1 9 . 1 1 126 126 LEU H H 126 8.866 8.866 8.248 0.618 18712 5559 1 9 . 1 1 127 127 VAL N N 127 126.578 126.578 126.310 0.268 18712 5560 1 9 . 1 1 127 127 VAL HA H 127 5.127 5.127 4.772 0.355 18712 5561 1 9 . 1 1 127 127 VAL CA C 127 60.390 60.390 60.149 0.241 18712 5562 1 9 . 1 1 127 127 VAL CB C 127 35.078 35.078 36.079 -1.001 18712 5563 1 9 . 1 1 127 127 VAL H H 127 9.367 9.367 8.793 0.574 18712 5564 1 9 . 1 1 128 128 ARG N N 128 126.578 126.578 126.081 0.497 18712 5565 1 9 . 1 1 128 128 ARG HA H 128 5.259 5.259 5.192 0.067 18712 5566 1 9 . 1 1 128 128 ARG CA C 128 54.765 54.765 54.291 0.474 18712 5567 1 9 . 1 1 128 128 ARG CB C 128 33.672 33.672 34.576 -0.904 18712 5568 1 9 . 1 1 128 128 ARG H H 128 9.502 9.502 9.048 0.454 18712 5569 1 9 . 1 1 129 129 VAL N N 129 123.977 123.977 120.690 3.287 18712 5570 1 9 . 1 1 129 129 VAL HA H 129 4.489 4.489 4.418 0.071 18712 5571 1 9 . 1 1 129 129 VAL CA C 129 61.093 61.093 60.361 0.731 18712 5572 1 9 . 1 1 129 129 VAL CB C 129 35.078 35.078 35.408 -0.330 18712 5573 1 9 . 1 1 129 129 VAL H H 129 9.051 9.051 8.132 0.919 18712 5574 1 9 . 1 1 130 130 TYR N N 130 124.673 124.673 123.299 1.374 18712 5575 1 9 . 1 1 130 130 TYR HA H 130 5.419 5.419 4.806 0.613 18712 5576 1 9 . 1 1 130 130 TYR CA C 130 56.172 56.172 56.447 -0.275 18712 5577 1 9 . 1 1 130 130 TYR CB C 130 39.297 39.297 40.161 -0.864 18712 5578 1 9 . 1 1 130 130 TYR H H 130 8.650 8.650 8.498 0.152 18712 5579 1 9 . 1 1 131 131 ILE N N 131 125.227 125.227 124.597 0.630 18712 5580 1 9 . 1 1 131 131 ILE HA H 131 4.869 4.869 4.682 0.187 18712 5581 1 9 . 1 1 131 131 ILE CB C 131 40.000 40.000 41.172 -1.172 18712 5582 1 9 . 1 1 131 131 ILE H H 131 9.509 9.509 8.907 0.602 18712 5583 1 9 . 1 1 132 132 VAL N N 132 126.859 126.859 124.908 1.951 18712 5584 1 9 . 1 1 132 132 VAL HA H 132 4.729 4.729 5.139 -0.410 18712 5585 1 9 . 1 1 132 132 VAL CA C 132 61.093 61.093 58.873 2.220 18712 5586 1 9 . 1 1 132 132 VAL CB C 132 33.672 33.672 32.436 1.236 18712 5587 1 9 . 1 1 132 132 VAL H H 132 9.606 9.606 8.019 1.587 18712 5588 1 9 . 1 1 133 133 GLN N N 133 128.406 128.406 127.269 1.137 18712 5589 1 9 . 1 1 133 133 GLN HA H 133 4.751 4.751 4.512 0.239 18712 5590 1 9 . 1 1 133 133 GLN CA C 133 54.765 54.765 55.347 -0.582 18712 5591 1 9 . 1 1 133 133 GLN CB C 133 31.563 31.563 29.440 2.123 18712 5592 1 9 . 1 1 133 133 GLN H H 133 9.153 9.153 8.739 0.414 18712 5593 1 9 . 1 1 134 134 LYS N N 134 122.929 122.929 124.985 -2.056 18712 5594 1 9 . 1 1 134 134 LYS HA H 134 4.725 4.725 4.303 0.422 18712 5595 1 9 . 1 1 134 134 LYS CA C 134 56.172 56.172 56.130 0.042 18712 5596 1 9 . 1 1 134 134 LYS CB C 134 33.320 33.320 33.309 0.011 18712 5597 1 9 . 1 1 134 134 LYS H H 134 8.561 8.561 8.607 -0.046 18712 5598 1 9 . 1 1 135 135 ARG N N 135 123.484 123.484 121.953 1.531 18712 5599 1 9 . 1 1 135 135 ARG HA H 135 4.503 4.503 4.270 0.233 18712 5600 1 9 . 1 1 135 135 ARG CA C 135 55.468 55.468 56.054 -0.586 18712 5601 1 9 . 1 1 135 135 ARG CB C 135 32.266 32.266 31.271 0.995 18712 5602 1 9 . 1 1 135 135 ARG H H 135 8.596 8.596 8.320 0.276 18712 5603 1 9 . 1 1 136 136 LYS N N 136 123.906 123.906 120.013 3.893 18712 5604 1 9 . 1 1 136 136 LYS HA H 136 4.467 4.467 4.535 -0.068 18712 5605 1 9 . 1 1 136 136 LYS CA C 136 56.172 56.172 55.086 1.086 18712 5606 1 9 . 1 1 136 136 LYS CB C 136 32.969 32.969 34.930 -1.961 18712 5607 1 9 . 1 1 136 136 LYS H H 136 8.608 8.608 8.404 0.204 18712 5608 1 9 . 1 1 137 137 ILE N N 137 123.571 123.571 119.017 4.554 18712 5609 1 9 . 1 1 137 137 ILE HA H 137 4.184 4.184 4.053 0.131 18712 5610 1 9 . 1 1 137 137 ILE CA C 137 61.093 61.093 61.659 -0.566 18712 5611 1 9 . 1 1 137 137 ILE CB C 137 38.594 38.594 38.384 0.210 18712 5612 1 9 . 1 1 137 137 ILE H H 137 8.353 8.353 8.348 0.005 18712 5613 1 9 . 1 1 138 138 SER N N 138 119.547 119.547 119.447 0.100 18712 5614 1 9 . 1 1 138 138 SER HA H 138 4.503 4.503 4.270 0.233 18712 5615 1 9 . 1 1 138 138 SER CA C 138 58.281 58.281 57.353 0.928 18712 5616 1 9 . 1 1 138 138 SER CB C 138 63.906 63.906 61.909 1.997 18712 5617 1 9 . 1 1 138 138 SER H H 138 8.410 8.410 8.546 -0.136 18712 5618 1 9 . 1 1 139 139 GLU N N 139 123.281 123.281 126.974 -3.693 18712 5619 1 9 . 1 1 139 139 GLU HA H 139 4.307 4.307 4.036 0.271 18712 5620 1 9 . 1 1 139 139 GLU CA C 139 56.875 56.875 57.342 -0.467 18712 5621 1 9 . 1 1 139 139 GLU CB C 139 30.156 30.156 29.912 0.244 18712 5622 1 9 . 1 1 139 139 GLU H H 139 8.489 8.489 7.792 0.697 18712 5623 1 9 . 1 1 140 140 GLY N N 140 109.792 109.792 110.392 -0.600 18712 5624 1 9 . 1 1 140 140 GLY CA C 140 45.625 45.625 44.829 0.796 18712 5625 1 9 . 1 1 140 140 GLY H H 140 8.418 8.418 8.667 -0.249 18712 5626 1 10 . 1 1 4 4 VAL N N 4 119.125 119.125 122.454 -3.329 18712 5627 1 10 . 1 1 4 4 VAL HA H 4 4.070 4.070 4.353 -0.283 18712 5628 1 10 . 1 1 4 4 VAL CA C 4 62.500 62.500 61.585 0.915 18712 5629 1 10 . 1 1 4 4 VAL CB C 4 32.969 32.969 33.758 -0.789 18712 5630 1 10 . 1 1 4 4 VAL H H 4 7.998 7.998 8.047 -0.049 18712 5631 1 10 . 1 1 5 5 TYR N N 5 122.640 122.640 123.610 -0.970 18712 5632 1 10 . 1 1 5 5 TYR HA H 5 4.674 4.674 5.013 -0.339 18712 5633 1 10 . 1 1 5 5 TYR CA C 5 58.281 58.281 57.016 1.265 18712 5634 1 10 . 1 1 5 5 TYR CB C 5 38.594 38.594 39.715 -1.121 18712 5635 1 10 . 1 1 5 5 TYR H H 5 8.305 8.305 7.760 0.545 18712 5636 1 10 . 1 1 6 6 THR N N 6 114.861 114.861 113.506 1.355 18712 5637 1 10 . 1 1 6 6 THR HA H 6 4.548 4.548 4.581 -0.033 18712 5638 1 10 . 1 1 6 6 THR CA C 6 61.796 61.796 60.719 1.077 18712 5639 1 10 . 1 1 6 6 THR CB C 6 70.234 70.234 71.377 -1.143 18712 5640 1 10 . 1 1 6 6 THR H H 6 8.003 8.003 8.383 -0.380 18712 5641 1 10 . 1 1 7 7 SER N N 7 118.140 118.140 115.159 2.981 18712 5642 1 10 . 1 1 7 7 SER HA H 7 4.600 4.600 4.774 -0.174 18712 5643 1 10 . 1 1 7 7 SER CA C 7 57.578 57.578 57.543 0.035 18712 5644 1 10 . 1 1 7 7 SER CB C 7 64.609 64.609 64.553 0.056 18712 5645 1 10 . 1 1 7 7 SER H H 7 8.487 8.487 8.318 0.169 18712 5646 1 10 . 1 1 8 8 ILE N N 8 121.375 121.375 120.828 0.547 18712 5647 1 10 . 1 1 8 8 ILE HA H 8 4.627 4.627 4.162 0.465 18712 5648 1 10 . 1 1 8 8 ILE CA C 8 60.390 60.390 61.383 -0.993 18712 5649 1 10 . 1 1 8 8 ILE CB C 8 40.000 40.000 38.250 1.750 18712 5650 1 10 . 1 1 8 8 ILE H H 8 8.139 8.139 8.248 -0.109 18712 5651 1 10 . 1 1 9 9 HIS N N 9 125.734 125.734 125.843 -0.109 18712 5652 1 10 . 1 1 9 9 HIS HA H 9 4.768 4.768 4.789 -0.021 18712 5653 1 10 . 1 1 9 9 HIS CB C 9 32.617 32.617 33.797 -1.179 18712 5654 1 10 . 1 1 9 9 HIS H H 9 8.743 8.743 8.348 0.395 18712 5655 1 10 . 1 1 10 10 ILE N N 10 125.875 125.875 121.692 4.183 18712 5656 1 10 . 1 1 10 10 ILE HA H 10 4.806 4.806 4.992 -0.186 18712 5657 1 10 . 1 1 10 10 ILE CB C 10 39.297 39.297 40.960 -1.663 18712 5658 1 10 . 1 1 10 10 ILE H H 10 8.035 8.035 8.711 -0.676 18712 5659 1 10 . 1 1 11 11 GLU N N 11 129.438 129.438 125.546 3.892 18712 5660 1 10 . 1 1 11 11 GLU HA H 11 4.472 4.472 4.429 0.043 18712 5661 1 10 . 1 1 11 11 GLU CA C 11 54.062 54.062 54.799 -0.737 18712 5662 1 10 . 1 1 11 11 GLU CB C 11 32.617 32.617 31.481 1.136 18712 5663 1 10 . 1 1 11 11 GLU H H 11 8.934 8.934 8.882 0.052 18712 5664 1 10 . 1 1 12 12 GLU N N 12 123.983 123.983 120.567 3.416 18712 5665 1 10 . 1 1 12 12 GLU HA H 12 4.752 4.752 4.574 0.178 18712 5666 1 10 . 1 1 12 12 GLU CA C 12 54.062 54.062 55.291 -1.229 18712 5667 1 10 . 1 1 12 12 GLU CB C 12 32.617 32.617 30.803 1.813 18712 5668 1 10 . 1 1 12 12 GLU H H 12 8.192 8.192 8.326 -0.134 18712 5669 1 10 . 1 1 13 13 TYR N N 13 122.826 122.826 125.189 -2.363 18712 5670 1 10 . 1 1 13 13 TYR HA H 13 4.741 4.741 4.698 0.043 18712 5671 1 10 . 1 1 13 13 TYR CB C 13 42.812 42.812 41.916 0.896 18712 5672 1 10 . 1 1 13 13 TYR H H 13 8.926 8.926 8.037 0.889 18712 5673 1 10 . 1 1 14 14 GLU N N 14 119.329 119.329 121.950 -2.621 18712 5674 1 10 . 1 1 14 14 GLU HA H 14 5.647 5.647 4.719 0.928 18712 5675 1 10 . 1 1 14 14 GLU CA C 14 54.765 54.765 55.424 -0.659 18712 5676 1 10 . 1 1 14 14 GLU CB C 14 34.375 34.375 32.243 2.132 18712 5677 1 10 . 1 1 14 14 GLU H H 14 8.716 8.716 8.644 0.072 18712 5678 1 10 . 1 1 15 15 SER N N 15 116.172 116.172 120.182 -4.010 18712 5679 1 10 . 1 1 15 15 SER HA H 15 4.616 4.616 4.823 -0.207 18712 5680 1 10 . 1 1 15 15 SER CA C 15 57.578 57.578 57.791 -0.213 18712 5681 1 10 . 1 1 15 15 SER CB C 15 66.015 66.015 65.115 0.900 18712 5682 1 10 . 1 1 15 15 SER H H 15 8.922 8.922 8.693 0.229 18712 5683 1 10 . 1 1 16 16 GLU N N 16 125.172 125.172 124.003 1.169 18712 5684 1 10 . 1 1 16 16 GLU HA H 16 5.082 5.082 4.830 0.252 18712 5685 1 10 . 1 1 16 16 GLU CA C 16 54.062 54.062 54.243 -0.181 18712 5686 1 10 . 1 1 16 16 GLU CB C 16 32.969 32.969 33.239 -0.270 18712 5687 1 10 . 1 1 16 16 GLU H H 16 8.587 8.587 8.342 0.245 18712 5688 1 10 . 1 1 17 17 ALA N N 17 124.890 124.890 126.900 -2.010 18712 5689 1 10 . 1 1 17 17 ALA HA H 17 4.969 4.969 4.407 0.562 18712 5690 1 10 . 1 1 17 17 ALA CA C 17 50.547 50.547 51.622 -1.075 18712 5691 1 10 . 1 1 17 17 ALA CB C 17 19.610 19.610 19.267 0.343 18712 5692 1 10 . 1 1 17 17 ALA H H 17 9.000 9.000 8.240 0.760 18712 5693 1 10 . 1 1 18 18 ARG N N 18 125.376 125.376 126.090 -0.714 18712 5694 1 10 . 1 1 18 18 ARG HA H 18 5.175 5.175 4.969 0.206 18712 5695 1 10 . 1 1 18 18 ARG CA C 18 54.765 54.765 54.870 -0.105 18712 5696 1 10 . 1 1 18 18 ARG CB C 18 34.375 34.375 30.924 3.450 18712 5697 1 10 . 1 1 18 18 ARG H H 18 9.624 9.624 8.021 1.603 18712 5698 1 10 . 1 1 19 19 ASP N N 19 119.828 119.828 124.307 -4.479 18712 5699 1 10 . 1 1 19 19 ASP HA H 19 4.685 4.685 4.453 0.232 18712 5700 1 10 . 1 1 19 19 ASP CA C 19 55.117 55.117 54.519 0.598 18712 5701 1 10 . 1 1 19 19 ASP CB C 19 41.406 41.406 41.145 0.261 18712 5702 1 10 . 1 1 19 19 ASP H H 19 8.420 8.420 8.424 -0.004 18712 5703 1 10 . 1 1 20 20 THR N N 20 112.948 112.948 114.921 -1.973 18712 5704 1 10 . 1 1 20 20 THR HA H 20 4.979 4.979 4.405 0.574 18712 5705 1 10 . 1 1 20 20 THR CA C 20 60.390 60.390 60.902 -0.512 18712 5706 1 10 . 1 1 20 20 THR CB C 20 73.046 73.046 69.674 3.373 18712 5707 1 10 . 1 1 20 20 THR H H 20 7.602 7.602 8.060 -0.458 18712 5708 1 10 . 1 1 21 21 LYS HA H 21 4.146 4.146 4.341 -0.195 18712 5709 1 10 . 1 1 21 21 LYS CA C 21 58.984 58.984 57.905 1.079 18712 5710 1 10 . 1 1 21 21 LYS CB C 21 32.266 32.266 31.444 0.822 18712 5711 1 10 . 1 1 22 22 LEU N N 22 117.346 117.346 120.712 -3.366 18712 5712 1 10 . 1 1 22 22 LEU HA H 22 4.532 4.532 4.474 0.058 18712 5713 1 10 . 1 1 22 22 LEU CA C 22 54.062 54.062 54.432 -0.370 18712 5714 1 10 . 1 1 22 22 LEU CB C 22 42.812 42.812 41.703 1.109 18712 5715 1 10 . 1 1 22 22 LEU H H 22 7.848 7.848 7.383 0.465 18712 5716 1 10 . 1 1 23 23 GLY N N 23 108.437 108.437 109.561 -1.124 18712 5717 1 10 . 1 1 23 23 GLY CA C 23 43.516 43.516 44.414 -0.898 18712 5718 1 10 . 1 1 23 23 GLY H H 23 7.407 7.407 7.389 0.018 18712 5719 1 10 . 1 1 24 24 PRO HA H 24 4.894 4.894 4.613 0.281 18712 5720 1 10 . 1 1 24 24 PRO CA C 24 63.906 63.906 62.439 1.467 18712 5721 1 10 . 1 1 24 24 PRO CB C 24 31.563 31.563 33.083 -1.520 18712 5722 1 10 . 1 1 25 25 GLU N N 25 118.281 118.281 118.953 -0.672 18712 5723 1 10 . 1 1 25 25 GLU HA H 25 4.621 4.621 4.366 0.255 18712 5724 1 10 . 1 1 25 25 GLU CA C 25 56.523 56.523 56.649 -0.126 18712 5725 1 10 . 1 1 25 25 GLU CB C 25 32.266 32.266 31.021 1.245 18712 5726 1 10 . 1 1 25 25 GLU H H 25 8.341 8.341 8.626 -0.285 18712 5727 1 10 . 1 1 26 26 GLU N N 26 119.406 119.406 118.231 1.175 18712 5728 1 10 . 1 1 26 26 GLU HA H 26 4.710 4.710 4.547 0.163 18712 5729 1 10 . 1 1 26 26 GLU CA C 26 54.765 54.765 55.323 -0.558 18712 5730 1 10 . 1 1 26 26 GLU CB C 26 33.672 33.672 31.205 2.467 18712 5731 1 10 . 1 1 26 26 GLU H H 26 8.336 8.336 7.710 0.626 18712 5732 1 10 . 1 1 27 27 ILE N N 27 127.472 127.472 121.543 5.929 18712 5733 1 10 . 1 1 27 27 ILE HA H 27 5.009 5.009 4.213 0.796 18712 5734 1 10 . 1 1 27 27 ILE CA C 27 60.390 60.390 62.167 -1.777 18712 5735 1 10 . 1 1 27 27 ILE CB C 27 37.187 37.187 38.754 -1.567 18712 5736 1 10 . 1 1 27 27 ILE H H 27 8.405 8.405 8.584 -0.179 18712 5737 1 10 . 1 1 28 28 THR N N 28 124.387 124.387 121.927 2.460 18712 5738 1 10 . 1 1 28 28 THR HA H 28 4.492 4.492 4.593 -0.101 18712 5739 1 10 . 1 1 28 28 THR CA C 28 59.687 59.687 60.707 -1.020 18712 5740 1 10 . 1 1 28 28 THR CB C 28 68.125 68.125 70.628 -2.503 18712 5741 1 10 . 1 1 28 28 THR H H 28 8.191 8.191 8.446 -0.255 18712 5742 1 10 . 1 1 29 29 ARG N N 29 120.568 120.568 120.127 0.441 18712 5743 1 10 . 1 1 29 29 ARG HA H 29 4.202 4.202 4.657 -0.455 18712 5744 1 10 . 1 1 29 29 ARG CA C 29 55.468 55.468 55.090 0.378 18712 5745 1 10 . 1 1 29 29 ARG CB C 29 32.266 32.266 31.805 0.461 18712 5746 1 10 . 1 1 29 29 ARG H H 29 7.995 7.995 8.367 -0.372 18712 5747 1 10 . 1 1 30 30 ASP N N 30 123.906 123.906 124.074 -0.168 18712 5748 1 10 . 1 1 30 30 ASP HA H 30 4.619 4.619 4.746 -0.127 18712 5749 1 10 . 1 1 30 30 ASP CA C 30 53.359 53.359 54.014 -0.655 18712 5750 1 10 . 1 1 30 30 ASP CB C 30 38.594 38.594 42.597 -4.003 18712 5751 1 10 . 1 1 30 30 ASP H H 30 8.784 8.784 8.723 0.061 18712 5752 1 10 . 1 1 31 31 ILE N N 31 123.422 123.422 123.720 -0.298 18712 5753 1 10 . 1 1 31 31 ILE HA H 31 4.063 4.063 4.495 -0.432 18712 5754 1 10 . 1 1 31 31 ILE CA C 31 57.578 57.578 57.330 0.248 18712 5755 1 10 . 1 1 31 31 ILE CB C 31 40.703 40.703 39.773 0.930 18712 5756 1 10 . 1 1 31 31 ILE H H 31 7.404 7.404 8.063 -0.659 18712 5757 1 10 . 1 1 32 32 PRO HA H 32 4.273 4.273 4.589 -0.316 18712 5758 1 10 . 1 1 32 32 PRO CA C 32 63.554 63.554 63.040 0.514 18712 5759 1 10 . 1 1 32 32 PRO CB C 32 32.266 32.266 32.293 -0.027 18712 5760 1 10 . 1 1 33 33 ASN N N 33 114.027 114.027 113.440 0.587 18712 5761 1 10 . 1 1 33 33 ASN HA H 33 4.269 4.269 4.297 -0.028 18712 5762 1 10 . 1 1 33 33 ASN CA C 33 55.117 55.117 54.312 0.805 18712 5763 1 10 . 1 1 33 33 ASN CB C 33 37.891 37.891 37.431 0.460 18712 5764 1 10 . 1 1 33 33 ASN H H 33 8.880 8.880 8.725 0.155 18712 5765 1 10 . 1 1 34 34 VAL N N 34 117.111 117.111 119.575 -2.464 18712 5766 1 10 . 1 1 34 34 VAL HA H 34 4.249 4.249 4.240 0.009 18712 5767 1 10 . 1 1 34 34 VAL CA C 34 62.148 62.148 61.412 0.736 18712 5768 1 10 . 1 1 34 34 VAL CB C 34 33.672 33.672 33.698 -0.026 18712 5769 1 10 . 1 1 34 34 VAL H H 34 7.328 7.328 7.382 -0.054 18712 5770 1 10 . 1 1 35 35 GLY N N 35 113.600 113.600 114.116 -0.516 18712 5771 1 10 . 1 1 35 35 GLY CA C 35 44.219 44.219 44.530 -0.311 18712 5772 1 10 . 1 1 35 35 GLY H H 35 8.653 8.653 8.489 0.164 18712 5773 1 10 . 1 1 36 36 GLU N N 36 118.562 118.562 123.288 -4.726 18712 5774 1 10 . 1 1 36 36 GLU HA H 36 3.888 3.888 3.998 -0.110 18712 5775 1 10 . 1 1 36 36 GLU CA C 36 59.687 59.687 58.773 0.914 18712 5776 1 10 . 1 1 36 36 GLU CB C 36 29.453 29.453 29.336 0.117 18712 5777 1 10 . 1 1 36 36 GLU H H 36 8.457 8.457 8.936 -0.479 18712 5778 1 10 . 1 1 37 37 ASP N N 37 118.140 118.140 119.961 -1.821 18712 5779 1 10 . 1 1 37 37 ASP HA H 37 4.335 4.335 4.429 -0.094 18712 5780 1 10 . 1 1 37 37 ASP CA C 37 56.875 56.875 56.821 0.054 18712 5781 1 10 . 1 1 37 37 ASP CB C 37 40.000 40.000 39.969 0.031 18712 5782 1 10 . 1 1 37 37 ASP H H 37 8.728 8.728 8.676 0.052 18712 5783 1 10 . 1 1 38 38 ALA N N 38 120.752 120.752 120.266 0.486 18712 5784 1 10 . 1 1 38 38 ALA HA H 38 4.288 4.288 4.155 0.133 18712 5785 1 10 . 1 1 38 38 ALA CA C 38 53.359 53.359 54.230 -0.871 18712 5786 1 10 . 1 1 38 38 ALA CB C 38 18.555 18.555 19.073 -0.518 18712 5787 1 10 . 1 1 38 38 ALA H H 38 7.642 7.642 7.671 -0.029 18712 5788 1 10 . 1 1 39 39 LEU N N 39 117.015 117.015 112.063 4.952 18712 5789 1 10 . 1 1 39 39 LEU HA H 39 4.295 4.295 4.789 -0.494 18712 5790 1 10 . 1 1 39 39 LEU CA C 39 54.765 54.765 53.761 1.004 18712 5791 1 10 . 1 1 39 39 LEU CB C 39 43.164 43.164 41.563 1.601 18712 5792 1 10 . 1 1 39 39 LEU H H 39 7.446 7.446 7.708 -0.262 18712 5793 1 10 . 1 1 40 40 ARG N N 40 118.017 118.017 121.700 -3.683 18712 5794 1 10 . 1 1 40 40 ARG HA H 40 4.064 4.064 3.970 0.095 18712 5795 1 10 . 1 1 40 40 ARG CA C 40 59.687 59.687 59.103 0.584 18712 5796 1 10 . 1 1 40 40 ARG CB C 40 30.508 30.508 29.548 0.960 18712 5797 1 10 . 1 1 40 40 ARG H H 40 7.079 7.079 7.560 -0.481 18712 5798 1 10 . 1 1 41 41 ASN N N 41 115.439 115.439 116.582 -1.143 18712 5799 1 10 . 1 1 41 41 ASN HA H 41 4.996 4.996 4.718 0.278 18712 5800 1 10 . 1 1 41 41 ASN CA C 41 53.359 53.359 53.238 0.121 18712 5801 1 10 . 1 1 41 41 ASN CB C 41 39.297 39.297 38.861 0.436 18712 5802 1 10 . 1 1 41 41 ASN H H 41 9.057 9.057 8.485 0.572 18712 5803 1 10 . 1 1 42 42 LEU N N 42 118.703 118.703 121.764 -3.061 18712 5804 1 10 . 1 1 42 42 LEU HA H 42 4.403 4.403 4.049 0.354 18712 5805 1 10 . 1 1 42 42 LEU CA C 42 54.062 54.062 56.503 -2.441 18712 5806 1 10 . 1 1 42 42 LEU CB C 42 42.812 42.812 42.577 0.235 18712 5807 1 10 . 1 1 42 42 LEU H H 42 7.719 7.719 7.246 0.473 18712 5808 1 10 . 1 1 43 43 ASP N N 43 122.791 122.791 124.662 -1.871 18712 5809 1 10 . 1 1 43 43 ASP HA H 43 4.481 4.481 4.809 -0.328 18712 5810 1 10 . 1 1 43 43 ASP CA C 43 52.656 52.656 52.948 -0.292 18712 5811 1 10 . 1 1 43 43 ASP CB C 43 39.648 39.648 41.822 -2.174 18712 5812 1 10 . 1 1 43 43 ASP H H 43 8.933 8.933 8.133 0.800 18712 5813 1 10 . 1 1 44 44 ASP N N 44 114.917 114.917 119.776 -4.859 18712 5814 1 10 . 1 1 44 44 ASP HA H 44 4.278 4.278 4.455 -0.177 18712 5815 1 10 . 1 1 44 44 ASP CA C 44 56.875 56.875 56.178 0.697 18712 5816 1 10 . 1 1 44 44 ASP CB C 44 40.000 40.000 40.167 -0.167 18712 5817 1 10 . 1 1 44 44 ASP H H 44 8.281 8.281 8.811 -0.530 18712 5818 1 10 . 1 1 45 45 ARG N N 45 118.140 118.140 117.305 0.835 18712 5819 1 10 . 1 1 45 45 ARG HA H 45 4.366 4.366 4.325 0.041 18712 5820 1 10 . 1 1 45 45 ARG CA C 45 55.117 55.117 56.097 -0.980 18712 5821 1 10 . 1 1 45 45 ARG CB C 45 30.859 30.859 30.517 0.342 18712 5822 1 10 . 1 1 45 45 ARG H H 45 8.500 8.500 8.285 0.215 18712 5823 1 10 . 1 1 46 46 GLY N N 46 101.828 101.828 107.204 -5.376 18712 5824 1 10 . 1 1 46 46 GLY CA C 46 45.273 45.273 44.959 0.314 18712 5825 1 10 . 1 1 46 46 GLY H H 46 7.680 7.680 7.753 -0.073 18712 5826 1 10 . 1 1 47 47 VAL N N 47 119.955 119.955 117.754 2.201 18712 5827 1 10 . 1 1 47 47 VAL HA H 47 4.406 4.406 4.285 0.121 18712 5828 1 10 . 1 1 47 47 VAL CA C 47 61.796 61.796 59.413 2.383 18712 5829 1 10 . 1 1 47 47 VAL CB C 47 33.672 33.672 34.876 -1.204 18712 5830 1 10 . 1 1 47 47 VAL H H 47 8.007 8.007 7.406 0.601 18712 5831 1 10 . 1 1 48 48 ILE N N 48 128.406 128.406 125.320 3.086 18712 5832 1 10 . 1 1 48 48 ILE HA H 48 4.202 4.202 3.955 0.247 18712 5833 1 10 . 1 1 48 48 ILE CA C 48 59.687 59.687 60.944 -1.257 18712 5834 1 10 . 1 1 48 48 ILE CB C 48 38.945 38.945 36.245 2.700 18712 5835 1 10 . 1 1 48 48 ILE H H 48 8.145 8.145 8.435 -0.290 18712 5836 1 10 . 1 1 49 49 ARG N N 49 123.765 123.765 128.447 -4.682 18712 5837 1 10 . 1 1 49 49 ARG HA H 49 4.328 4.328 4.155 0.173 18712 5838 1 10 . 1 1 49 49 ARG CA C 49 56.875 56.875 56.474 0.401 18712 5839 1 10 . 1 1 49 49 ARG CB C 49 31.563 31.563 31.288 0.275 18712 5840 1 10 . 1 1 49 49 ARG H H 49 7.447 7.447 7.570 -0.123 18712 5841 1 10 . 1 1 50 50 ILE N N 50 121.094 121.094 121.637 -0.543 18712 5842 1 10 . 1 1 50 50 ILE HA H 50 3.414 3.414 3.809 -0.395 18712 5843 1 10 . 1 1 50 50 ILE CA C 50 64.609 64.609 63.178 1.431 18712 5844 1 10 . 1 1 50 50 ILE H H 50 8.284 8.284 8.353 -0.069 18712 5845 1 10 . 1 1 51 51 GLY N N 51 115.791 115.791 113.327 2.464 18712 5846 1 10 . 1 1 51 51 GLY CA C 51 44.922 44.922 44.920 0.002 18712 5847 1 10 . 1 1 51 51 GLY H H 51 8.679 8.679 8.805 -0.126 18712 5848 1 10 . 1 1 52 52 ALA N N 52 122.065 122.065 122.583 -0.518 18712 5849 1 10 . 1 1 52 52 ALA HA H 52 4.246 4.246 4.584 -0.338 18712 5850 1 10 . 1 1 52 52 ALA CA C 52 52.656 52.656 50.690 1.966 18712 5851 1 10 . 1 1 52 52 ALA CB C 52 18.906 18.906 20.492 -1.586 18712 5852 1 10 . 1 1 52 52 ALA H H 52 7.496 7.496 7.599 -0.103 18712 5853 1 10 . 1 1 53 53 GLU N N 53 121.468 121.468 122.930 -1.462 18712 5854 1 10 . 1 1 53 53 GLU HA H 53 4.892 4.892 4.384 0.508 18712 5855 1 10 . 1 1 53 53 GLU CB C 53 30.508 30.508 30.644 -0.136 18712 5856 1 10 . 1 1 53 53 GLU H H 53 8.427 8.427 8.596 -0.169 18712 5857 1 10 . 1 1 54 54 VAL N N 54 117.437 117.437 122.283 -4.846 18712 5858 1 10 . 1 1 54 54 VAL HA H 54 4.979 4.979 4.109 0.870 18712 5859 1 10 . 1 1 54 54 VAL CA C 54 58.632 58.632 62.502 -3.869 18712 5860 1 10 . 1 1 54 54 VAL CB C 54 35.781 35.781 32.575 3.206 18712 5861 1 10 . 1 1 54 54 VAL H H 54 9.002 9.002 8.372 0.630 18712 5862 1 10 . 1 1 55 55 LYS N N 55 123.906 123.906 123.692 0.214 18712 5863 1 10 . 1 1 55 55 LYS HA H 55 4.698 4.698 4.535 0.164 18712 5864 1 10 . 1 1 55 55 LYS CA C 55 53.359 53.359 55.196 -1.837 18712 5865 1 10 . 1 1 55 55 LYS CB C 55 35.781 35.781 34.776 1.005 18712 5866 1 10 . 1 1 55 55 LYS H H 55 9.244 9.244 8.234 1.010 18712 5867 1 10 . 1 1 56 56 ASP N N 56 118.562 118.562 122.632 -4.070 18712 5868 1 10 . 1 1 56 56 ASP HA H 56 3.764 3.764 4.305 -0.541 18712 5869 1 10 . 1 1 56 56 ASP CA C 56 56.172 56.172 55.439 0.733 18712 5870 1 10 . 1 1 56 56 ASP CB C 56 40.000 40.000 40.422 -0.422 18712 5871 1 10 . 1 1 56 56 ASP H H 56 8.176 8.176 8.376 -0.200 18712 5872 1 10 . 1 1 57 57 GLY N N 57 112.515 112.515 112.178 0.337 18712 5873 1 10 . 1 1 57 57 GLY CA C 57 45.625 45.625 44.905 0.720 18712 5874 1 10 . 1 1 57 57 GLY H H 57 8.841 8.841 8.930 -0.089 18712 5875 1 10 . 1 1 58 58 ASP N N 58 121.375 121.375 121.884 -0.509 18712 5876 1 10 . 1 1 58 58 ASP HA H 58 4.532 4.532 4.925 -0.393 18712 5877 1 10 . 1 1 58 58 ASP CA C 58 54.765 54.765 52.721 2.044 18712 5878 1 10 . 1 1 58 58 ASP CB C 58 41.055 41.055 40.617 0.438 18712 5879 1 10 . 1 1 58 58 ASP H H 58 8.209 8.209 7.728 0.481 18712 5880 1 10 . 1 1 59 59 LEU N N 59 119.828 119.828 122.848 -3.020 18712 5881 1 10 . 1 1 59 59 LEU HA H 59 3.976 3.976 4.295 -0.319 18712 5882 1 10 . 1 1 59 59 LEU CA C 59 56.875 56.875 55.462 1.413 18712 5883 1 10 . 1 1 59 59 LEU CB C 59 44.219 44.219 42.445 1.774 18712 5884 1 10 . 1 1 59 59 LEU H H 59 8.570 8.570 8.254 0.316 18712 5885 1 10 . 1 1 60 60 LEU N N 60 116.594 116.594 113.090 3.504 18712 5886 1 10 . 1 1 60 60 LEU HA H 60 4.518 4.518 3.989 0.529 18712 5887 1 10 . 1 1 60 60 LEU CB C 60 44.922 44.922 40.330 4.592 18712 5888 1 10 . 1 1 60 60 LEU H H 60 8.816 8.816 8.086 0.730 18712 5889 1 10 . 1 1 61 61 VAL N N 61 115.656 115.656 116.469 -0.813 18712 5890 1 10 . 1 1 61 61 VAL HA H 61 4.618 4.618 4.210 0.407 18712 5891 1 10 . 1 1 61 61 VAL CA C 61 61.093 61.093 60.261 0.832 18712 5892 1 10 . 1 1 61 61 VAL CB C 61 36.484 36.484 35.360 1.124 18712 5893 1 10 . 1 1 61 61 VAL H H 61 7.322 7.322 7.368 -0.046 18712 5894 1 10 . 1 1 62 62 GLY N N 62 117.191 117.191 113.778 3.413 18712 5895 1 10 . 1 1 62 62 GLY CA C 62 45.625 45.625 44.563 1.062 18712 5896 1 10 . 1 1 62 62 GLY H H 62 9.563 9.563 8.139 1.424 18712 5897 1 10 . 1 1 63 63 LYS N N 63 127.584 127.584 127.396 0.188 18712 5898 1 10 . 1 1 63 63 LYS HA H 63 5.328 5.328 4.674 0.654 18712 5899 1 10 . 1 1 63 63 LYS CA C 63 56.172 56.172 55.728 0.444 18712 5900 1 10 . 1 1 63 63 LYS CB C 63 35.078 35.078 34.872 0.206 18712 5901 1 10 . 1 1 63 63 LYS H H 63 8.712 8.712 8.432 0.280 18712 5902 1 10 . 1 1 64 64 VAL N N 64 114.383 114.383 122.229 -7.846 18712 5903 1 10 . 1 1 64 64 VAL HA H 64 5.523 5.523 5.241 0.282 18712 5904 1 10 . 1 1 64 64 VAL CA C 64 57.578 57.578 59.716 -2.138 18712 5905 1 10 . 1 1 64 64 VAL CB C 64 35.781 35.781 34.458 1.323 18712 5906 1 10 . 1 1 64 64 VAL H H 64 8.481 8.481 7.873 0.608 18712 5907 1 10 . 1 1 65 65 THR N N 65 118.431 118.431 116.500 1.931 18712 5908 1 10 . 1 1 65 65 THR HA H 65 4.602 4.602 4.939 -0.337 18712 5909 1 10 . 1 1 65 65 THR CA C 65 59.687 59.687 58.500 1.187 18712 5910 1 10 . 1 1 65 65 THR CB C 65 72.343 72.343 68.971 3.372 18712 5911 1 10 . 1 1 65 65 THR H H 65 8.637 8.637 8.320 0.317 18712 5912 1 10 . 1 1 66 66 PRO HA H 66 4.557 4.557 4.417 0.140 18712 5913 1 10 . 1 1 66 66 PRO CA C 66 63.906 63.906 62.914 0.992 18712 5914 1 10 . 1 1 66 66 PRO CB C 66 32.969 32.969 32.603 0.366 18712 5915 1 10 . 1 1 67 67 LYS N N 67 122.359 122.359 119.292 3.067 18712 5916 1 10 . 1 1 67 67 LYS HA H 67 4.391 4.391 4.544 -0.153 18712 5917 1 10 . 1 1 67 67 LYS CA C 67 56.172 56.172 54.643 1.529 18712 5918 1 10 . 1 1 67 67 LYS CB C 67 35.078 35.078 36.031 -0.953 18712 5919 1 10 . 1 1 67 67 LYS H H 67 8.371 8.371 7.977 0.394 18712 5920 1 10 . 1 1 68 68 GLY N N 68 109.563 109.563 107.441 2.122 18712 5921 1 10 . 1 1 68 68 GLY CA C 68 44.922 44.922 43.748 1.174 18712 5922 1 10 . 1 1 68 68 GLY H H 68 8.583 8.583 8.642 -0.059 18712 5923 1 10 . 1 1 69 69 VAL N N 69 118.378 118.378 120.782 -2.404 18712 5924 1 10 . 1 1 69 69 VAL HA H 69 4.032 4.032 4.013 0.019 18712 5925 1 10 . 1 1 69 69 VAL CA C 69 63.203 63.203 64.153 -0.950 18712 5926 1 10 . 1 1 69 69 VAL CB C 69 32.266 32.266 31.701 0.564 18712 5927 1 10 . 1 1 69 69 VAL H H 69 8.235 8.235 8.477 -0.242 18712 5928 1 10 . 1 1 70 70 THR N N 70 114.484 114.484 117.140 -2.656 18712 5929 1 10 . 1 1 70 70 THR HA H 70 4.281 4.281 4.435 -0.154 18712 5930 1 10 . 1 1 70 70 THR CA C 70 62.500 62.500 63.474 -0.974 18712 5931 1 10 . 1 1 70 70 THR CB C 70 69.531 69.531 67.681 1.850 18712 5932 1 10 . 1 1 70 70 THR H H 70 8.085 8.085 8.357 -0.272 18712 5933 1 10 . 1 1 71 71 GLU N N 71 121.656 121.656 120.683 0.973 18712 5934 1 10 . 1 1 71 71 GLU HA H 71 4.325 4.325 4.514 -0.189 18712 5935 1 10 . 1 1 71 71 GLU CA C 71 56.172 56.172 55.716 0.456 18712 5936 1 10 . 1 1 71 71 GLU CB C 71 30.859 30.859 29.698 1.161 18712 5937 1 10 . 1 1 71 71 GLU H H 71 8.175 8.175 7.899 0.276 18712 5938 1 10 . 1 1 72 72 LEU N N 72 122.219 122.219 121.360 0.859 18712 5939 1 10 . 1 1 72 72 LEU HA H 72 4.534 4.534 4.554 -0.020 18712 5940 1 10 . 1 1 72 72 LEU CA C 72 54.765 54.765 54.580 0.185 18712 5941 1 10 . 1 1 72 72 LEU CB C 72 42.812 42.812 43.139 -0.327 18712 5942 1 10 . 1 1 72 72 LEU H H 72 7.770 7.770 7.565 0.205 18712 5943 1 10 . 1 1 73 73 THR N N 73 114.407 114.407 110.769 3.638 18712 5944 1 10 . 1 1 73 73 THR HA H 73 4.405 4.405 4.456 -0.051 18712 5945 1 10 . 1 1 73 73 THR CA C 73 61.093 61.093 60.431 0.662 18712 5946 1 10 . 1 1 73 73 THR CB C 73 70.937 70.937 71.626 -0.689 18712 5947 1 10 . 1 1 73 73 THR H H 73 8.869 8.869 8.009 0.860 18712 5948 1 10 . 1 1 74 74 ALA N N 74 123.782 123.782 125.340 -1.558 18712 5949 1 10 . 1 1 74 74 ALA HA H 74 4.026 4.026 4.008 0.018 18712 5950 1 10 . 1 1 74 74 ALA CA C 74 55.468 55.468 54.834 0.633 18712 5951 1 10 . 1 1 74 74 ALA CB C 74 18.203 18.203 18.464 -0.261 18712 5952 1 10 . 1 1 74 74 ALA H H 74 8.831 8.831 8.875 -0.044 18712 5953 1 10 . 1 1 75 75 GLU N N 75 117.578 117.578 117.358 0.220 18712 5954 1 10 . 1 1 75 75 GLU HA H 75 4.043 4.043 4.091 -0.048 18712 5955 1 10 . 1 1 75 75 GLU CA C 75 59.687 59.687 59.118 0.569 18712 5956 1 10 . 1 1 75 75 GLU CB C 75 29.453 29.453 29.352 0.101 18712 5957 1 10 . 1 1 75 75 GLU H H 75 8.637 8.637 8.290 0.347 18712 5958 1 10 . 1 1 76 76 GLU N N 76 120.042 120.042 119.377 0.665 18712 5959 1 10 . 1 1 76 76 GLU HA H 76 4.010 4.010 4.216 -0.206 18712 5960 1 10 . 1 1 76 76 GLU CA C 76 58.281 58.281 58.587 -0.306 18712 5961 1 10 . 1 1 76 76 GLU CB C 76 30.859 30.859 29.712 1.147 18712 5962 1 10 . 1 1 76 76 GLU H H 76 7.847 7.847 7.558 0.289 18712 5963 1 10 . 1 1 77 77 ARG N N 77 119.687 119.687 118.643 1.044 18712 5964 1 10 . 1 1 77 77 ARG HA H 77 3.975 3.975 4.081 -0.106 18712 5965 1 10 . 1 1 77 77 ARG CA C 77 58.984 58.984 58.932 0.052 18712 5966 1 10 . 1 1 77 77 ARG CB C 77 30.156 30.156 29.984 0.172 18712 5967 1 10 . 1 1 77 77 ARG H H 77 8.452 8.452 8.525 -0.073 18712 5968 1 10 . 1 1 78 78 LEU N N 78 120.250 120.250 117.169 3.081 18712 5969 1 10 . 1 1 78 78 LEU HA H 78 4.210 4.210 4.494 -0.284 18712 5970 1 10 . 1 1 78 78 LEU CA C 78 56.875 56.875 56.799 0.076 18712 5971 1 10 . 1 1 78 78 LEU CB C 78 42.109 42.109 42.268 -0.159 18712 5972 1 10 . 1 1 78 78 LEU H H 78 7.685 7.685 7.547 0.138 18712 5973 1 10 . 1 1 79 79 LEU N N 79 119.265 119.265 119.521 -0.256 18712 5974 1 10 . 1 1 79 79 LEU HA H 79 4.208 4.208 4.087 0.121 18712 5975 1 10 . 1 1 79 79 LEU CA C 79 56.875 56.875 57.914 -1.039 18712 5976 1 10 . 1 1 79 79 LEU CB C 79 42.109 42.109 40.858 1.251 18712 5977 1 10 . 1 1 79 79 LEU H H 79 7.679 7.679 7.458 0.221 18712 5978 1 10 . 1 1 80 80 HIS N N 80 118.348 118.348 120.303 -1.955 18712 5979 1 10 . 1 1 80 80 HIS HA H 80 4.422 4.422 4.287 0.135 18712 5980 1 10 . 1 1 80 80 HIS CA C 80 57.578 57.578 59.956 -2.378 18712 5981 1 10 . 1 1 80 80 HIS CB C 80 30.156 30.156 29.854 0.302 18712 5982 1 10 . 1 1 80 80 HIS H H 80 8.127 8.127 7.909 0.218 18712 5983 1 10 . 1 1 81 81 ALA N N 81 122.359 122.359 121.252 1.107 18712 5984 1 10 . 1 1 81 81 ALA HA H 81 4.204 4.204 4.260 -0.056 18712 5985 1 10 . 1 1 81 81 ALA CA C 81 54.062 54.062 54.240 -0.178 18712 5986 1 10 . 1 1 81 81 ALA CB C 81 18.906 18.906 18.393 0.513 18712 5987 1 10 . 1 1 81 81 ALA H H 81 7.908 7.908 7.792 0.116 18712 5988 1 10 . 1 1 82 82 ILE N N 82 117.705 117.705 118.329 -0.624 18712 5989 1 10 . 1 1 82 82 ILE HA H 82 3.972 3.972 3.824 0.148 18712 5990 1 10 . 1 1 82 82 ILE CA C 82 62.500 62.500 62.917 -0.417 18712 5991 1 10 . 1 1 82 82 ILE CB C 82 38.594 38.594 37.151 1.443 18712 5992 1 10 . 1 1 82 82 ILE H H 82 7.780 7.780 7.355 0.425 18712 5993 1 10 . 1 1 83 83 PHE N N 83 120.528 120.528 118.669 1.859 18712 5994 1 10 . 1 1 83 83 PHE HA H 83 4.633 4.633 4.317 0.316 18712 5995 1 10 . 1 1 83 83 PHE CA C 83 58.281 58.281 59.570 -1.289 18712 5996 1 10 . 1 1 83 83 PHE CB C 83 40.000 40.000 39.969 0.031 18712 5997 1 10 . 1 1 83 83 PHE H H 83 8.227 8.227 8.099 0.128 18712 5998 1 10 . 1 1 84 84 GLY N N 84 110.328 110.328 106.750 3.578 18712 5999 1 10 . 1 1 84 84 GLY CA C 84 45.625 45.625 45.325 0.300 18712 6000 1 10 . 1 1 84 84 GLY H H 84 8.157 8.157 8.116 0.041 18712 6001 1 10 . 1 1 85 85 GLU N N 85 120.975 120.975 116.190 4.785 18712 6002 1 10 . 1 1 85 85 GLU HA H 85 4.234 4.234 4.459 -0.225 18712 6003 1 10 . 1 1 85 85 GLU CA C 85 57.226 57.226 54.259 2.967 18712 6004 1 10 . 1 1 85 85 GLU CB C 85 30.156 30.156 31.733 -1.577 18712 6005 1 10 . 1 1 85 85 GLU H H 85 8.374 8.374 7.662 0.712 18712 6006 1 10 . 1 1 86 86 LYS N N 86 121.202 121.202 120.378 0.824 18712 6007 1 10 . 1 1 86 86 LYS HA H 86 4.291 4.291 4.099 0.192 18712 6008 1 10 . 1 1 86 86 LYS CA C 86 56.172 56.172 56.450 -0.278 18712 6009 1 10 . 1 1 86 86 LYS CB C 86 32.969 32.969 32.837 0.132 18712 6010 1 10 . 1 1 86 86 LYS H H 86 8.230 8.230 8.266 -0.036 18712 6011 1 10 . 1 1 87 87 ALA N N 87 124.596 124.596 125.292 -0.696 18712 6012 1 10 . 1 1 87 87 ALA HA H 87 4.236 4.236 4.420 -0.184 18712 6013 1 10 . 1 1 87 87 ALA CA C 87 52.656 52.656 51.290 1.366 18712 6014 1 10 . 1 1 87 87 ALA CB C 87 19.610 19.610 20.786 -1.176 18712 6015 1 10 . 1 1 87 87 ALA H H 87 8.179 8.179 8.148 0.031 18712 6016 1 10 . 1 1 88 88 ARG N N 88 120.688 120.688 122.993 -2.305 18712 6017 1 10 . 1 1 88 88 ARG HA H 88 4.344 4.344 4.275 0.069 18712 6018 1 10 . 1 1 88 88 ARG CA C 88 56.172 56.172 55.926 0.246 18712 6019 1 10 . 1 1 88 88 ARG CB C 88 30.859 30.859 30.608 0.251 18712 6020 1 10 . 1 1 88 88 ARG H H 88 8.274 8.274 8.431 -0.157 18712 6021 1 10 . 1 1 89 89 GLU N N 89 124.469 124.469 124.793 -0.324 18712 6022 1 10 . 1 1 89 89 GLU HA H 89 4.575 4.575 4.602 -0.027 18712 6023 1 10 . 1 1 89 89 GLU CA C 89 55.468 55.468 55.487 -0.019 18712 6024 1 10 . 1 1 89 89 GLU CB C 89 30.156 30.156 31.826 -1.669 18712 6025 1 10 . 1 1 89 89 GLU H H 89 8.632 8.632 8.641 -0.009 18712 6026 1 10 . 1 1 90 90 VAL N N 90 114.440 114.440 117.846 -3.406 18712 6027 1 10 . 1 1 90 90 VAL HA H 90 5.047 5.047 4.406 0.641 18712 6028 1 10 . 1 1 90 90 VAL CA C 90 58.984 58.984 59.566 -0.583 18712 6029 1 10 . 1 1 90 90 VAL CB C 90 36.484 36.484 34.268 2.216 18712 6030 1 10 . 1 1 90 90 VAL H H 90 8.246 8.246 8.333 -0.087 18712 6031 1 10 . 1 1 91 91 ARG N N 91 118.602 118.602 121.508 -2.906 18712 6032 1 10 . 1 1 91 91 ARG HA H 91 4.771 4.771 4.667 0.104 18712 6033 1 10 . 1 1 91 91 ARG CB C 91 33.672 33.672 32.792 0.880 18712 6034 1 10 . 1 1 91 91 ARG H H 91 9.062 9.062 8.608 0.454 18712 6035 1 10 . 1 1 92 92 ASP N N 92 121.656 121.656 122.634 -0.978 18712 6036 1 10 . 1 1 92 92 ASP HA H 92 4.754 4.754 4.812 -0.058 18712 6037 1 10 . 1 1 92 92 ASP CB C 92 41.406 41.406 40.975 0.431 18712 6038 1 10 . 1 1 92 92 ASP H H 92 8.770 8.770 8.748 0.022 18712 6039 1 10 . 1 1 93 93 THR N N 93 124.654 124.654 113.922 10.732 18712 6040 1 10 . 1 1 93 93 THR HA H 93 4.586 4.586 4.467 0.119 18712 6041 1 10 . 1 1 93 93 THR CA C 93 60.390 60.390 61.608 -1.218 18712 6042 1 10 . 1 1 93 93 THR CB C 93 66.718 66.718 69.928 -3.210 18712 6043 1 10 . 1 1 93 93 THR H H 93 9.253 9.253 8.551 0.702 18712 6044 1 10 . 1 1 94 94 SER N N 94 117.437 117.437 118.402 -0.965 18712 6045 1 10 . 1 1 94 94 SER HA H 94 4.455 4.455 4.402 0.053 18712 6046 1 10 . 1 1 94 94 SER CA C 94 60.390 60.390 59.533 0.857 18712 6047 1 10 . 1 1 94 94 SER CB C 94 63.906 63.906 63.955 -0.049 18712 6048 1 10 . 1 1 94 94 SER H H 94 8.564 8.564 7.477 1.087 18712 6049 1 10 . 1 1 95 95 LEU N N 95 125.594 125.594 118.993 6.601 18712 6050 1 10 . 1 1 95 95 LEU HA H 95 4.684 4.684 4.529 0.155 18712 6051 1 10 . 1 1 95 95 LEU CB C 95 43.516 43.516 43.083 0.433 18712 6052 1 10 . 1 1 95 95 LEU H H 95 8.964 8.964 8.390 0.574 18712 6053 1 10 . 1 1 96 96 ARG N N 96 128.669 128.669 121.789 6.880 18712 6054 1 10 . 1 1 96 96 ARG HA H 96 5.061 5.061 4.551 0.510 18712 6055 1 10 . 1 1 96 96 ARG CA C 96 54.062 54.062 55.128 -1.066 18712 6056 1 10 . 1 1 96 96 ARG CB C 96 34.375 34.375 30.341 4.034 18712 6057 1 10 . 1 1 96 96 ARG H H 96 8.709 8.709 8.417 0.292 18712 6058 1 10 . 1 1 97 97 VAL N N 97 121.375 121.375 126.371 -4.996 18712 6059 1 10 . 1 1 97 97 VAL HA H 97 3.386 3.386 4.296 -0.910 18712 6060 1 10 . 1 1 97 97 VAL CA C 97 61.093 61.093 58.872 2.221 18712 6061 1 10 . 1 1 97 97 VAL CB C 97 32.266 32.266 33.248 -0.982 18712 6062 1 10 . 1 1 97 97 VAL H H 97 8.745 8.745 8.431 0.314 18712 6063 1 10 . 1 1 98 98 PRO HA H 98 4.543 4.543 4.510 0.033 18712 6064 1 10 . 1 1 98 98 PRO CA C 98 62.500 62.500 62.234 0.266 18712 6065 1 10 . 1 1 98 98 PRO CB C 98 32.969 32.969 32.283 0.686 18712 6066 1 10 . 1 1 99 99 HIS N N 99 118.140 118.140 116.005 2.135 18712 6067 1 10 . 1 1 99 99 HIS HA H 99 4.272 4.272 4.413 -0.141 18712 6068 1 10 . 1 1 99 99 HIS CA C 99 58.281 58.281 56.575 1.706 18712 6069 1 10 . 1 1 99 99 HIS CB C 99 30.156 30.156 29.198 0.958 18712 6070 1 10 . 1 1 99 99 HIS H H 99 8.368 8.368 8.245 0.123 18712 6071 1 10 . 1 1 100 100 GLY N N 100 116.101 116.101 115.214 0.887 18712 6072 1 10 . 1 1 100 100 GLY CA C 100 45.625 45.625 45.331 0.294 18712 6073 1 10 . 1 1 100 100 GLY H H 100 9.411 9.411 8.863 0.548 18712 6074 1 10 . 1 1 101 101 GLY N N 101 108.798 108.798 110.298 -1.500 18712 6075 1 10 . 1 1 101 101 GLY CA C 101 45.625 45.625 45.536 0.089 18712 6076 1 10 . 1 1 101 101 GLY H H 101 8.399 8.399 7.804 0.595 18712 6077 1 10 . 1 1 102 102 GLY N N 102 105.967 105.967 109.179 -3.212 18712 6078 1 10 . 1 1 102 102 GLY CA C 102 45.625 45.625 45.065 0.560 18712 6079 1 10 . 1 1 102 102 GLY H H 102 8.310 8.310 7.766 0.544 18712 6080 1 10 . 1 1 103 103 GLY N N 103 107.574 107.574 106.909 0.665 18712 6081 1 10 . 1 1 103 103 GLY CA C 103 46.328 46.328 43.613 2.715 18712 6082 1 10 . 1 1 103 103 GLY H H 103 8.075 8.075 7.513 0.562 18712 6083 1 10 . 1 1 104 104 ILE N N 104 122.219 122.219 118.502 3.717 18712 6084 1 10 . 1 1 104 104 ILE HA H 104 5.075 5.075 4.408 0.667 18712 6085 1 10 . 1 1 104 104 ILE CA C 104 58.281 58.281 60.242 -1.961 18712 6086 1 10 . 1 1 104 104 ILE CB C 104 40.703 40.703 42.460 -1.757 18712 6087 1 10 . 1 1 104 104 ILE H H 104 8.269 8.269 7.580 0.689 18712 6088 1 10 . 1 1 105 105 ILE N N 105 124.237 124.237 124.593 -0.356 18712 6089 1 10 . 1 1 105 105 ILE HA H 105 4.312 4.312 4.300 0.012 18712 6090 1 10 . 1 1 105 105 ILE CA C 105 60.390 60.390 61.157 -0.767 18712 6091 1 10 . 1 1 105 105 ILE CB C 105 34.375 34.375 35.026 -0.651 18712 6092 1 10 . 1 1 105 105 ILE H H 105 8.965 8.965 8.344 0.621 18712 6093 1 10 . 1 1 106 106 HIS N N 106 135.053 135.053 129.243 5.810 18712 6094 1 10 . 1 1 106 106 HIS HA H 106 4.506 4.506 4.779 -0.273 18712 6095 1 10 . 1 1 106 106 HIS CA C 106 57.578 57.578 55.993 1.585 18712 6096 1 10 . 1 1 106 106 HIS CB C 106 33.672 33.672 31.487 2.185 18712 6097 1 10 . 1 1 106 106 HIS H H 106 9.604 9.604 8.523 1.081 18712 6098 1 10 . 1 1 107 107 ASP N N 107 112.528 112.528 118.473 -5.945 18712 6099 1 10 . 1 1 107 107 ASP HA H 107 4.707 4.707 4.704 0.003 18712 6100 1 10 . 1 1 107 107 ASP CB C 107 42.812 42.812 44.753 -1.941 18712 6101 1 10 . 1 1 107 107 ASP H H 107 7.930 7.930 7.806 0.124 18712 6102 1 10 . 1 1 108 108 VAL N N 108 121.656 121.656 120.965 0.691 18712 6103 1 10 . 1 1 108 108 VAL HA H 108 5.028 5.028 4.607 0.421 18712 6104 1 10 . 1 1 108 108 VAL CA C 108 61.796 61.796 60.975 0.821 18712 6105 1 10 . 1 1 108 108 VAL CB C 108 36.484 36.484 35.002 1.482 18712 6106 1 10 . 1 1 108 108 VAL H H 108 8.325 8.325 8.306 0.019 18712 6107 1 10 . 1 1 109 109 LYS N N 109 126.798 126.798 127.891 -1.093 18712 6108 1 10 . 1 1 109 109 LYS HA H 109 4.676 4.676 4.600 0.076 18712 6109 1 10 . 1 1 109 109 LYS CB C 109 37.187 37.187 34.655 2.532 18712 6110 1 10 . 1 1 109 109 LYS H H 109 9.417 9.417 8.890 0.527 18712 6111 1 10 . 1 1 110 110 VAL N N 110 121.892 121.892 122.632 -0.740 18712 6112 1 10 . 1 1 110 110 VAL HA H 110 4.676 4.676 4.377 0.299 18712 6113 1 10 . 1 1 110 110 VAL CB C 110 33.672 33.672 33.977 -0.305 18712 6114 1 10 . 1 1 110 110 VAL H H 110 8.206 8.206 8.045 0.161 18712 6115 1 10 . 1 1 111 111 PHE N N 111 126.578 126.578 127.376 -0.798 18712 6116 1 10 . 1 1 111 111 PHE HA H 111 4.995 4.995 4.797 0.198 18712 6117 1 10 . 1 1 111 111 PHE CA C 111 56.172 56.172 55.844 0.328 18712 6118 1 10 . 1 1 111 111 PHE CB C 111 42.109 42.109 41.724 0.385 18712 6119 1 10 . 1 1 111 111 PHE H H 111 9.459 9.459 9.130 0.329 18712 6120 1 10 . 1 1 112 112 ASN N N 112 121.797 121.797 119.140 2.657 18712 6121 1 10 . 1 1 112 112 ASN HA H 112 5.425 5.425 5.227 0.198 18712 6122 1 10 . 1 1 112 112 ASN CA C 112 52.656 52.656 51.553 1.103 18712 6123 1 10 . 1 1 112 112 ASN CB C 112 42.109 42.109 42.248 -0.139 18712 6124 1 10 . 1 1 112 112 ASN H H 112 10.663 10.663 8.505 2.158 18712 6125 1 10 . 1 1 113 113 ARG N N 113 130.516 130.516 124.647 5.869 18712 6126 1 10 . 1 1 113 113 ARG HA H 113 4.435 4.435 4.374 0.061 18712 6127 1 10 . 1 1 113 113 ARG CA C 113 59.687 59.687 58.892 0.795 18712 6128 1 10 . 1 1 113 113 ARG CB C 113 30.859 30.859 29.999 0.860 18712 6129 1 10 . 1 1 113 113 ARG H H 113 9.138 9.138 8.897 0.241 18712 6130 1 10 . 1 1 114 114 GLU N N 114 119.008 119.008 119.623 -0.615 18712 6131 1 10 . 1 1 114 114 GLU HA H 114 4.142 4.142 4.080 0.062 18712 6132 1 10 . 1 1 114 114 GLU CA C 114 58.281 58.281 58.702 -0.421 18712 6133 1 10 . 1 1 114 114 GLU CB C 114 29.453 29.453 28.912 0.541 18712 6134 1 10 . 1 1 114 114 GLU H H 114 8.924 8.924 8.197 0.727 18712 6135 1 10 . 1 1 115 115 ASP N N 115 116.593 116.593 117.414 -0.821 18712 6136 1 10 . 1 1 115 115 ASP HA H 115 4.869 4.869 4.579 0.290 18712 6137 1 10 . 1 1 115 115 ASP CA C 115 54.062 54.062 54.242 -0.180 18712 6138 1 10 . 1 1 115 115 ASP CB C 115 42.109 42.109 41.434 0.675 18712 6139 1 10 . 1 1 115 115 ASP H H 115 7.356 7.356 7.679 -0.323 18712 6140 1 10 . 1 1 116 116 GLY N N 116 106.689 106.689 107.181 -0.492 18712 6141 1 10 . 1 1 116 116 GLY CA C 116 44.922 44.922 44.639 0.283 18712 6142 1 10 . 1 1 116 116 GLY H H 116 7.918 7.918 7.789 0.129 18712 6143 1 10 . 1 1 117 117 ASP N N 117 119.329 119.329 122.057 -2.728 18712 6144 1 10 . 1 1 117 117 ASP HA H 117 4.632 4.632 4.638 -0.006 18712 6145 1 10 . 1 1 117 117 ASP CA C 117 55.468 55.468 53.829 1.639 18712 6146 1 10 . 1 1 117 117 ASP CB C 117 41.406 41.406 41.022 0.384 18712 6147 1 10 . 1 1 117 117 ASP H H 117 7.220 7.220 7.869 -0.649 18712 6148 1 10 . 1 1 118 118 GLU N N 118 123.484 123.484 125.175 -1.691 18712 6149 1 10 . 1 1 118 118 GLU HA H 118 4.240 4.240 4.250 -0.010 18712 6150 1 10 . 1 1 118 118 GLU CA C 118 56.875 56.875 56.868 0.007 18712 6151 1 10 . 1 1 118 118 GLU CB C 118 29.453 29.453 30.395 -0.942 18712 6152 1 10 . 1 1 118 118 GLU H H 118 8.626 8.626 8.500 0.126 18712 6153 1 10 . 1 1 119 119 LEU N N 119 129.139 129.139 126.661 2.478 18712 6154 1 10 . 1 1 119 119 LEU HA H 119 4.759 4.759 4.801 -0.042 18712 6155 1 10 . 1 1 119 119 LEU CB C 119 44.219 44.219 43.458 0.761 18712 6156 1 10 . 1 1 119 119 LEU H H 119 8.106 8.106 8.263 -0.157 18712 6157 1 10 . 1 1 120 120 PRO CB C 120 31.914 31.914 30.807 1.107 18712 6158 1 10 . 1 1 121 121 PRO HA H 121 4.269 4.269 4.327 -0.058 18712 6159 1 10 . 1 1 121 121 PRO CA C 121 63.906 63.906 63.737 0.169 18712 6160 1 10 . 1 1 121 121 PRO CB C 121 31.563 31.563 31.020 0.542 18712 6161 1 10 . 1 1 122 122 GLY N N 122 112.656 112.656 111.656 1.000 18712 6162 1 10 . 1 1 122 122 GLY CA C 122 45.625 45.625 44.958 0.667 18712 6163 1 10 . 1 1 122 122 GLY H H 122 8.827 8.827 8.740 0.087 18712 6164 1 10 . 1 1 123 123 VAL N N 123 119.406 119.406 119.566 -0.160 18712 6165 1 10 . 1 1 123 123 VAL HA H 123 4.017 4.017 4.597 -0.580 18712 6166 1 10 . 1 1 123 123 VAL CA C 123 62.851 62.851 61.713 1.138 18712 6167 1 10 . 1 1 123 123 VAL CB C 123 32.266 32.266 33.035 -0.769 18712 6168 1 10 . 1 1 123 123 VAL H H 123 7.845 7.845 7.448 0.397 18712 6169 1 10 . 1 1 124 124 ASN N N 124 124.609 124.609 121.166 3.443 18712 6170 1 10 . 1 1 124 124 ASN HA H 124 4.877 4.877 4.846 0.031 18712 6171 1 10 . 1 1 124 124 ASN CA C 124 54.765 54.765 53.605 1.161 18712 6172 1 10 . 1 1 124 124 ASN CB C 124 40.000 40.000 41.241 -1.241 18712 6173 1 10 . 1 1 124 124 ASN H H 124 9.206 9.206 8.822 0.384 18712 6174 1 10 . 1 1 125 125 GLN N N 125 117.959 117.959 115.041 2.918 18712 6175 1 10 . 1 1 125 125 GLN HA H 125 5.234 5.234 4.627 0.607 18712 6176 1 10 . 1 1 125 125 GLN CA C 125 56.172 56.172 55.170 1.002 18712 6177 1 10 . 1 1 125 125 GLN CB C 125 33.672 33.672 33.229 0.443 18712 6178 1 10 . 1 1 125 125 GLN H H 125 7.756 7.756 7.602 0.154 18712 6179 1 10 . 1 1 126 126 LEU N N 126 125.559 125.559 122.415 3.144 18712 6180 1 10 . 1 1 126 126 LEU HA H 126 5.261 5.261 4.861 0.400 18712 6181 1 10 . 1 1 126 126 LEU CA C 126 54.765 54.765 54.283 0.482 18712 6182 1 10 . 1 1 126 126 LEU CB C 126 47.734 47.734 46.199 1.535 18712 6183 1 10 . 1 1 126 126 LEU H H 126 8.866 8.866 8.233 0.633 18712 6184 1 10 . 1 1 127 127 VAL N N 127 126.578 126.578 124.662 1.916 18712 6185 1 10 . 1 1 127 127 VAL HA H 127 5.127 5.127 4.570 0.557 18712 6186 1 10 . 1 1 127 127 VAL CA C 127 60.390 60.390 60.996 -0.606 18712 6187 1 10 . 1 1 127 127 VAL CB C 127 35.078 35.078 35.772 -0.694 18712 6188 1 10 . 1 1 127 127 VAL H H 127 9.367 9.367 8.945 0.422 18712 6189 1 10 . 1 1 128 128 ARG N N 128 126.578 126.578 124.662 1.916 18712 6190 1 10 . 1 1 128 128 ARG HA H 128 5.259 5.259 5.251 0.008 18712 6191 1 10 . 1 1 128 128 ARG CA C 128 54.765 54.765 54.410 0.355 18712 6192 1 10 . 1 1 128 128 ARG CB C 128 33.672 33.672 34.150 -0.478 18712 6193 1 10 . 1 1 128 128 ARG H H 128 9.502 9.502 8.685 0.817 18712 6194 1 10 . 1 1 129 129 VAL N N 129 123.977 123.977 121.530 2.447 18712 6195 1 10 . 1 1 129 129 VAL HA H 129 4.489 4.489 4.404 0.085 18712 6196 1 10 . 1 1 129 129 VAL CA C 129 61.093 61.093 61.229 -0.136 18712 6197 1 10 . 1 1 129 129 VAL CB C 129 35.078 35.078 33.575 1.503 18712 6198 1 10 . 1 1 129 129 VAL H H 129 9.051 9.051 8.134 0.917 18712 6199 1 10 . 1 1 130 130 TYR N N 130 124.673 124.673 123.280 1.393 18712 6200 1 10 . 1 1 130 130 TYR HA H 130 5.419 5.419 5.038 0.381 18712 6201 1 10 . 1 1 130 130 TYR CA C 130 56.172 56.172 56.489 -0.317 18712 6202 1 10 . 1 1 130 130 TYR CB C 130 39.297 39.297 40.716 -1.419 18712 6203 1 10 . 1 1 130 130 TYR H H 130 8.650 8.650 8.661 -0.011 18712 6204 1 10 . 1 1 131 131 ILE N N 131 125.227 125.227 124.118 1.109 18712 6205 1 10 . 1 1 131 131 ILE HA H 131 4.869 4.869 4.733 0.136 18712 6206 1 10 . 1 1 131 131 ILE CB C 131 40.000 40.000 41.545 -1.545 18712 6207 1 10 . 1 1 131 131 ILE H H 131 9.509 9.509 8.366 1.143 18712 6208 1 10 . 1 1 132 132 VAL N N 132 126.859 126.859 123.997 2.862 18712 6209 1 10 . 1 1 132 132 VAL HA H 132 4.729 4.729 4.633 0.096 18712 6210 1 10 . 1 1 132 132 VAL CA C 132 61.093 61.093 60.450 0.643 18712 6211 1 10 . 1 1 132 132 VAL CB C 132 33.672 33.672 32.695 0.977 18712 6212 1 10 . 1 1 132 132 VAL H H 132 9.606 9.606 8.045 1.561 18712 6213 1 10 . 1 1 133 133 GLN N N 133 128.406 128.406 126.032 2.374 18712 6214 1 10 . 1 1 133 133 GLN HA H 133 4.751 4.751 4.584 0.167 18712 6215 1 10 . 1 1 133 133 GLN CA C 133 54.765 54.765 54.276 0.489 18712 6216 1 10 . 1 1 133 133 GLN CB C 133 31.563 31.563 29.657 1.906 18712 6217 1 10 . 1 1 133 133 GLN H H 133 9.153 9.153 8.457 0.696 18712 6218 1 10 . 1 1 134 134 LYS N N 134 122.929 122.929 124.928 -1.999 18712 6219 1 10 . 1 1 134 134 LYS HA H 134 4.725 4.725 4.127 0.598 18712 6220 1 10 . 1 1 134 134 LYS CA C 134 56.172 56.172 56.803 -0.631 18712 6221 1 10 . 1 1 134 134 LYS CB C 134 33.320 33.320 33.328 -0.008 18712 6222 1 10 . 1 1 134 134 LYS H H 134 8.561 8.561 8.580 -0.019 18712 6223 1 10 . 1 1 135 135 ARG N N 135 123.484 123.484 124.030 -0.546 18712 6224 1 10 . 1 1 135 135 ARG HA H 135 4.503 4.503 4.458 0.045 18712 6225 1 10 . 1 1 135 135 ARG CA C 135 55.468 55.468 55.359 0.109 18712 6226 1 10 . 1 1 135 135 ARG CB C 135 32.266 32.266 31.114 1.152 18712 6227 1 10 . 1 1 135 135 ARG H H 135 8.596 8.596 8.261 0.335 18712 6228 1 10 . 1 1 136 136 LYS N N 136 123.906 123.906 119.949 3.957 18712 6229 1 10 . 1 1 136 136 LYS HA H 136 4.467 4.467 4.150 0.317 18712 6230 1 10 . 1 1 136 136 LYS CA C 136 56.172 56.172 56.270 -0.098 18712 6231 1 10 . 1 1 136 136 LYS CB C 136 32.969 32.969 32.906 0.063 18712 6232 1 10 . 1 1 136 136 LYS H H 136 8.608 8.608 8.402 0.206 18712 6233 1 10 . 1 1 137 137 ILE N N 137 123.571 123.571 117.637 5.934 18712 6234 1 10 . 1 1 137 137 ILE HA H 137 4.184 4.184 3.913 0.271 18712 6235 1 10 . 1 1 137 137 ILE CA C 137 61.093 61.093 61.419 -0.326 18712 6236 1 10 . 1 1 137 137 ILE CB C 137 38.594 38.594 38.405 0.189 18712 6237 1 10 . 1 1 137 137 ILE H H 137 8.353 8.353 8.081 0.272 18712 6238 1 10 . 1 1 138 138 SER N N 138 119.547 119.547 118.482 1.065 18712 6239 1 10 . 1 1 138 138 SER HA H 138 4.503 4.503 4.272 0.231 18712 6240 1 10 . 1 1 138 138 SER CA C 138 58.281 58.281 58.935 -0.654 18712 6241 1 10 . 1 1 138 138 SER CB C 138 63.906 63.906 63.546 0.360 18712 6242 1 10 . 1 1 138 138 SER H H 138 8.410 8.410 8.132 0.278 18712 6243 1 10 . 1 1 139 139 GLU N N 139 123.281 123.281 124.859 -1.578 18712 6244 1 10 . 1 1 139 139 GLU HA H 139 4.307 4.307 4.232 0.075 18712 6245 1 10 . 1 1 139 139 GLU CA C 139 56.875 56.875 56.462 0.413 18712 6246 1 10 . 1 1 139 139 GLU CB C 139 30.156 30.156 29.869 0.287 18712 6247 1 10 . 1 1 139 139 GLU H H 139 8.489 8.489 8.409 0.080 18712 6248 1 10 . 1 1 140 140 GLY N N 140 109.792 109.792 109.956 -0.164 18712 6249 1 10 . 1 1 140 140 GLY CA C 140 45.625 45.625 45.017 0.608 18712 6250 1 10 . 1 1 140 140 GLY H H 140 8.418 8.418 8.659 -0.241 18712 6251 1 11 . 1 1 4 4 VAL N N 4 119.125 119.125 123.080 -3.955 18712 6252 1 11 . 1 1 4 4 VAL HA H 4 4.070 4.070 4.490 -0.420 18712 6253 1 11 . 1 1 4 4 VAL CA C 4 62.500 62.500 61.513 0.987 18712 6254 1 11 . 1 1 4 4 VAL CB C 4 32.969 32.969 33.006 -0.037 18712 6255 1 11 . 1 1 4 4 VAL H H 4 7.998 7.998 8.086 -0.088 18712 6256 1 11 . 1 1 5 5 TYR N N 5 122.640 122.640 122.540 0.100 18712 6257 1 11 . 1 1 5 5 TYR HA H 5 4.674 4.674 4.961 -0.287 18712 6258 1 11 . 1 1 5 5 TYR CA C 5 58.281 58.281 56.767 1.514 18712 6259 1 11 . 1 1 5 5 TYR CB C 5 38.594 38.594 39.898 -1.304 18712 6260 1 11 . 1 1 5 5 TYR H H 5 8.305 8.305 8.047 0.258 18712 6261 1 11 . 1 1 6 6 THR N N 6 114.861 114.861 117.190 -2.329 18712 6262 1 11 . 1 1 6 6 THR HA H 6 4.548 4.548 4.471 0.077 18712 6263 1 11 . 1 1 6 6 THR CA C 6 61.796 61.796 60.567 1.229 18712 6264 1 11 . 1 1 6 6 THR CB C 6 70.234 70.234 70.080 0.154 18712 6265 1 11 . 1 1 6 6 THR H H 6 8.003 8.003 8.381 -0.378 18712 6266 1 11 . 1 1 7 7 SER N N 7 118.140 118.140 118.428 -0.288 18712 6267 1 11 . 1 1 7 7 SER HA H 7 4.600 4.600 4.673 -0.073 18712 6268 1 11 . 1 1 7 7 SER CA C 7 57.578 57.578 58.074 -0.496 18712 6269 1 11 . 1 1 7 7 SER CB C 7 64.609 64.609 63.871 0.738 18712 6270 1 11 . 1 1 7 7 SER H H 7 8.487 8.487 8.308 0.179 18712 6271 1 11 . 1 1 8 8 ILE N N 8 121.375 121.375 120.873 0.502 18712 6272 1 11 . 1 1 8 8 ILE HA H 8 4.627 4.627 4.148 0.479 18712 6273 1 11 . 1 1 8 8 ILE CA C 8 60.390 60.390 60.867 -0.477 18712 6274 1 11 . 1 1 8 8 ILE CB C 8 40.000 40.000 38.626 1.374 18712 6275 1 11 . 1 1 8 8 ILE H H 8 8.139 8.139 8.295 -0.156 18712 6276 1 11 . 1 1 9 9 HIS N N 9 125.734 125.734 127.119 -1.385 18712 6277 1 11 . 1 1 9 9 HIS HA H 9 4.768 4.768 4.658 0.110 18712 6278 1 11 . 1 1 9 9 HIS CB C 9 32.617 32.617 31.420 1.197 18712 6279 1 11 . 1 1 9 9 HIS H H 9 8.743 8.743 8.773 -0.030 18712 6280 1 11 . 1 1 10 10 ILE N N 10 125.875 125.875 122.015 3.860 18712 6281 1 11 . 1 1 10 10 ILE HA H 10 4.806 4.806 4.367 0.439 18712 6282 1 11 . 1 1 10 10 ILE CB C 10 39.297 39.297 39.090 0.207 18712 6283 1 11 . 1 1 10 10 ILE H H 10 8.035 8.035 8.592 -0.557 18712 6284 1 11 . 1 1 11 11 GLU N N 11 129.438 129.438 127.468 1.970 18712 6285 1 11 . 1 1 11 11 GLU HA H 11 4.472 4.472 4.488 -0.016 18712 6286 1 11 . 1 1 11 11 GLU CA C 11 54.062 54.062 54.679 -0.617 18712 6287 1 11 . 1 1 11 11 GLU CB C 11 32.617 32.617 31.334 1.283 18712 6288 1 11 . 1 1 11 11 GLU H H 11 8.934 8.934 8.629 0.305 18712 6289 1 11 . 1 1 12 12 GLU N N 12 123.983 123.983 119.723 4.260 18712 6290 1 11 . 1 1 12 12 GLU HA H 12 4.752 4.752 4.810 -0.058 18712 6291 1 11 . 1 1 12 12 GLU CA C 12 54.062 54.062 54.860 -0.798 18712 6292 1 11 . 1 1 12 12 GLU CB C 12 32.617 32.617 31.128 1.489 18712 6293 1 11 . 1 1 12 12 GLU H H 12 8.192 8.192 8.369 -0.177 18712 6294 1 11 . 1 1 13 13 TYR N N 13 122.826 122.826 124.239 -1.413 18712 6295 1 11 . 1 1 13 13 TYR HA H 13 4.741 4.741 4.753 -0.012 18712 6296 1 11 . 1 1 13 13 TYR CB C 13 42.812 42.812 41.530 1.282 18712 6297 1 11 . 1 1 13 13 TYR H H 13 8.926 8.926 8.107 0.819 18712 6298 1 11 . 1 1 14 14 GLU N N 14 119.329 119.329 121.889 -2.560 18712 6299 1 11 . 1 1 14 14 GLU HA H 14 5.647 5.647 4.779 0.868 18712 6300 1 11 . 1 1 14 14 GLU CA C 14 54.765 54.765 55.121 -0.356 18712 6301 1 11 . 1 1 14 14 GLU CB C 14 34.375 34.375 32.624 1.751 18712 6302 1 11 . 1 1 14 14 GLU H H 14 8.716 8.716 8.612 0.104 18712 6303 1 11 . 1 1 15 15 SER N N 15 116.172 116.172 120.103 -3.931 18712 6304 1 11 . 1 1 15 15 SER HA H 15 4.616 4.616 4.857 -0.241 18712 6305 1 11 . 1 1 15 15 SER CA C 15 57.578 57.578 57.979 -0.401 18712 6306 1 11 . 1 1 15 15 SER CB C 15 66.015 66.015 64.879 1.136 18712 6307 1 11 . 1 1 15 15 SER H H 15 8.922 8.922 8.462 0.460 18712 6308 1 11 . 1 1 16 16 GLU N N 16 125.172 125.172 123.265 1.907 18712 6309 1 11 . 1 1 16 16 GLU HA H 16 5.082 5.082 4.935 0.147 18712 6310 1 11 . 1 1 16 16 GLU CA C 16 54.062 54.062 54.382 -0.320 18712 6311 1 11 . 1 1 16 16 GLU CB C 16 32.969 32.969 33.097 -0.128 18712 6312 1 11 . 1 1 16 16 GLU H H 16 8.587 8.587 8.316 0.271 18712 6313 1 11 . 1 1 17 17 ALA N N 17 124.890 124.890 127.769 -2.879 18712 6314 1 11 . 1 1 17 17 ALA HA H 17 4.969 4.969 4.407 0.562 18712 6315 1 11 . 1 1 17 17 ALA CA C 17 50.547 50.547 51.830 -1.283 18712 6316 1 11 . 1 1 17 17 ALA CB C 17 19.610 19.610 19.259 0.351 18712 6317 1 11 . 1 1 17 17 ALA H H 17 9.000 9.000 8.300 0.700 18712 6318 1 11 . 1 1 18 18 ARG N N 18 125.376 125.376 125.470 -0.094 18712 6319 1 11 . 1 1 18 18 ARG HA H 18 5.175 5.175 5.003 0.172 18712 6320 1 11 . 1 1 18 18 ARG CA C 18 54.765 54.765 54.830 -0.065 18712 6321 1 11 . 1 1 18 18 ARG CB C 18 34.375 34.375 31.251 3.124 18712 6322 1 11 . 1 1 18 18 ARG H H 18 9.624 9.624 7.956 1.668 18712 6323 1 11 . 1 1 19 19 ASP N N 19 119.828 119.828 123.131 -3.303 18712 6324 1 11 . 1 1 19 19 ASP HA H 19 4.685 4.685 4.440 0.245 18712 6325 1 11 . 1 1 19 19 ASP CA C 19 55.117 55.117 54.328 0.789 18712 6326 1 11 . 1 1 19 19 ASP CB C 19 41.406 41.406 41.184 0.222 18712 6327 1 11 . 1 1 19 19 ASP H H 19 8.420 8.420 8.490 -0.070 18712 6328 1 11 . 1 1 20 20 THR N N 20 112.948 112.948 114.149 -1.201 18712 6329 1 11 . 1 1 20 20 THR HA H 20 4.979 4.979 4.364 0.615 18712 6330 1 11 . 1 1 20 20 THR CA C 20 60.390 60.390 60.068 0.322 18712 6331 1 11 . 1 1 20 20 THR CB C 20 73.046 73.046 69.898 3.148 18712 6332 1 11 . 1 1 20 20 THR H H 20 7.602 7.602 8.081 -0.479 18712 6333 1 11 . 1 1 21 21 LYS HA H 21 4.146 4.146 4.408 -0.262 18712 6334 1 11 . 1 1 21 21 LYS CA C 21 58.984 58.984 57.747 1.237 18712 6335 1 11 . 1 1 21 21 LYS CB C 21 32.266 32.266 31.673 0.593 18712 6336 1 11 . 1 1 22 22 LEU N N 22 117.346 117.346 120.642 -3.296 18712 6337 1 11 . 1 1 22 22 LEU HA H 22 4.532 4.532 4.483 0.049 18712 6338 1 11 . 1 1 22 22 LEU CA C 22 54.062 54.062 54.433 -0.371 18712 6339 1 11 . 1 1 22 22 LEU CB C 22 42.812 42.812 41.882 0.930 18712 6340 1 11 . 1 1 22 22 LEU H H 22 7.848 7.848 7.383 0.465 18712 6341 1 11 . 1 1 23 23 GLY N N 23 108.437 108.437 109.539 -1.102 18712 6342 1 11 . 1 1 23 23 GLY CA C 23 43.516 43.516 44.348 -0.832 18712 6343 1 11 . 1 1 23 23 GLY H H 23 7.407 7.407 7.370 0.037 18712 6344 1 11 . 1 1 24 24 PRO HA H 24 4.894 4.894 4.597 0.297 18712 6345 1 11 . 1 1 24 24 PRO CA C 24 63.906 63.906 62.359 1.547 18712 6346 1 11 . 1 1 24 24 PRO CB C 24 31.563 31.563 33.313 -1.750 18712 6347 1 11 . 1 1 25 25 GLU N N 25 118.281 118.281 118.666 -0.385 18712 6348 1 11 . 1 1 25 25 GLU HA H 25 4.621 4.621 4.358 0.263 18712 6349 1 11 . 1 1 25 25 GLU CA C 25 56.523 56.523 56.684 -0.162 18712 6350 1 11 . 1 1 25 25 GLU CB C 25 32.266 32.266 30.885 1.381 18712 6351 1 11 . 1 1 25 25 GLU H H 25 8.341 8.341 8.918 -0.577 18712 6352 1 11 . 1 1 26 26 GLU N N 26 119.406 119.406 119.102 0.304 18712 6353 1 11 . 1 1 26 26 GLU HA H 26 4.710 4.710 4.479 0.231 18712 6354 1 11 . 1 1 26 26 GLU CA C 26 54.765 54.765 55.694 -0.929 18712 6355 1 11 . 1 1 26 26 GLU CB C 26 33.672 33.672 30.951 2.721 18712 6356 1 11 . 1 1 26 26 GLU H H 26 8.336 8.336 7.779 0.557 18712 6357 1 11 . 1 1 27 27 ILE N N 27 127.472 127.472 121.582 5.890 18712 6358 1 11 . 1 1 27 27 ILE HA H 27 5.009 5.009 4.272 0.737 18712 6359 1 11 . 1 1 27 27 ILE CA C 27 60.390 60.390 61.403 -1.013 18712 6360 1 11 . 1 1 27 27 ILE CB C 27 37.187 37.187 38.972 -1.785 18712 6361 1 11 . 1 1 27 27 ILE H H 27 8.405 8.405 8.505 -0.100 18712 6362 1 11 . 1 1 28 28 THR N N 28 124.387 124.387 120.112 4.275 18712 6363 1 11 . 1 1 28 28 THR HA H 28 4.492 4.492 4.634 -0.142 18712 6364 1 11 . 1 1 28 28 THR CA C 28 59.687 59.687 60.450 -0.763 18712 6365 1 11 . 1 1 28 28 THR CB C 28 68.125 68.125 70.776 -2.651 18712 6366 1 11 . 1 1 28 28 THR H H 28 8.191 8.191 8.528 -0.337 18712 6367 1 11 . 1 1 29 29 ARG N N 29 120.568 120.568 121.168 -0.600 18712 6368 1 11 . 1 1 29 29 ARG HA H 29 4.202 4.202 4.619 -0.417 18712 6369 1 11 . 1 1 29 29 ARG CA C 29 55.468 55.468 55.081 0.386 18712 6370 1 11 . 1 1 29 29 ARG CB C 29 32.266 32.266 31.548 0.718 18712 6371 1 11 . 1 1 29 29 ARG H H 29 7.995 7.995 8.457 -0.462 18712 6372 1 11 . 1 1 30 30 ASP N N 30 123.906 123.906 123.883 0.023 18712 6373 1 11 . 1 1 30 30 ASP HA H 30 4.619 4.619 4.719 -0.100 18712 6374 1 11 . 1 1 30 30 ASP CA C 30 53.359 53.359 54.020 -0.661 18712 6375 1 11 . 1 1 30 30 ASP CB C 30 38.594 38.594 42.429 -3.835 18712 6376 1 11 . 1 1 30 30 ASP H H 30 8.784 8.784 8.790 -0.006 18712 6377 1 11 . 1 1 31 31 ILE N N 31 123.422 123.422 123.657 -0.235 18712 6378 1 11 . 1 1 31 31 ILE HA H 31 4.063 4.063 4.481 -0.418 18712 6379 1 11 . 1 1 31 31 ILE CA C 31 57.578 57.578 57.786 -0.208 18712 6380 1 11 . 1 1 31 31 ILE CB C 31 40.703 40.703 38.616 2.087 18712 6381 1 11 . 1 1 31 31 ILE H H 31 7.404 7.404 8.046 -0.642 18712 6382 1 11 . 1 1 32 32 PRO HA H 32 4.273 4.273 4.545 -0.272 18712 6383 1 11 . 1 1 32 32 PRO CA C 32 63.554 63.554 62.972 0.582 18712 6384 1 11 . 1 1 32 32 PRO CB C 32 32.266 32.266 32.467 -0.201 18712 6385 1 11 . 1 1 33 33 ASN N N 33 114.027 114.027 114.270 -0.243 18712 6386 1 11 . 1 1 33 33 ASN HA H 33 4.269 4.269 4.340 -0.071 18712 6387 1 11 . 1 1 33 33 ASN CA C 33 55.117 55.117 53.927 1.190 18712 6388 1 11 . 1 1 33 33 ASN CB C 33 37.891 37.891 37.273 0.618 18712 6389 1 11 . 1 1 33 33 ASN H H 33 8.880 8.880 8.623 0.257 18712 6390 1 11 . 1 1 34 34 VAL N N 34 117.111 117.111 120.952 -3.841 18712 6391 1 11 . 1 1 34 34 VAL HA H 34 4.249 4.249 4.186 0.063 18712 6392 1 11 . 1 1 34 34 VAL CA C 34 62.148 62.148 61.968 0.180 18712 6393 1 11 . 1 1 34 34 VAL CB C 34 33.672 33.672 33.326 0.346 18712 6394 1 11 . 1 1 34 34 VAL H H 34 7.328 7.328 7.427 -0.099 18712 6395 1 11 . 1 1 35 35 GLY N N 35 113.600 113.600 111.994 1.606 18712 6396 1 11 . 1 1 35 35 GLY CA C 35 44.219 44.219 44.570 -0.351 18712 6397 1 11 . 1 1 35 35 GLY H H 35 8.653 8.653 8.238 0.415 18712 6398 1 11 . 1 1 36 36 GLU N N 36 118.562 118.562 123.040 -4.478 18712 6399 1 11 . 1 1 36 36 GLU HA H 36 3.888 3.888 3.948 -0.060 18712 6400 1 11 . 1 1 36 36 GLU CA C 36 59.687 59.687 59.041 0.646 18712 6401 1 11 . 1 1 36 36 GLU CB C 36 29.453 29.453 29.363 0.089 18712 6402 1 11 . 1 1 36 36 GLU H H 36 8.457 8.457 8.751 -0.294 18712 6403 1 11 . 1 1 37 37 ASP N N 37 118.140 118.140 120.506 -2.366 18712 6404 1 11 . 1 1 37 37 ASP HA H 37 4.335 4.335 4.484 -0.149 18712 6405 1 11 . 1 1 37 37 ASP CA C 37 56.875 56.875 56.462 0.413 18712 6406 1 11 . 1 1 37 37 ASP CB C 37 40.000 40.000 40.013 -0.013 18712 6407 1 11 . 1 1 37 37 ASP H H 37 8.728 8.728 8.756 -0.028 18712 6408 1 11 . 1 1 38 38 ALA N N 38 120.752 120.752 119.761 0.991 18712 6409 1 11 . 1 1 38 38 ALA HA H 38 4.288 4.288 4.455 -0.167 18712 6410 1 11 . 1 1 38 38 ALA CA C 38 53.359 53.359 54.248 -0.889 18712 6411 1 11 . 1 1 38 38 ALA CB C 38 18.555 18.555 18.880 -0.325 18712 6412 1 11 . 1 1 38 38 ALA H H 38 7.642 7.642 7.465 0.177 18712 6413 1 11 . 1 1 39 39 LEU N N 39 117.015 117.015 112.101 4.914 18712 6414 1 11 . 1 1 39 39 LEU HA H 39 4.295 4.295 4.717 -0.422 18712 6415 1 11 . 1 1 39 39 LEU CA C 39 54.765 54.765 54.119 0.646 18712 6416 1 11 . 1 1 39 39 LEU CB C 39 43.164 43.164 41.685 1.479 18712 6417 1 11 . 1 1 39 39 LEU H H 39 7.446 7.446 7.154 0.292 18712 6418 1 11 . 1 1 40 40 ARG N N 40 118.017 118.017 119.076 -1.059 18712 6419 1 11 . 1 1 40 40 ARG HA H 40 4.064 4.064 4.119 -0.055 18712 6420 1 11 . 1 1 40 40 ARG CA C 40 59.687 59.687 58.310 1.377 18712 6421 1 11 . 1 1 40 40 ARG CB C 40 30.508 30.508 30.426 0.082 18712 6422 1 11 . 1 1 40 40 ARG H H 40 7.079 7.079 7.712 -0.633 18712 6423 1 11 . 1 1 41 41 ASN N N 41 115.439 115.439 116.463 -1.024 18712 6424 1 11 . 1 1 41 41 ASN HA H 41 4.996 4.996 4.698 0.298 18712 6425 1 11 . 1 1 41 41 ASN CA C 41 53.359 53.359 53.354 0.005 18712 6426 1 11 . 1 1 41 41 ASN CB C 41 39.297 39.297 38.754 0.543 18712 6427 1 11 . 1 1 41 41 ASN H H 41 9.057 9.057 8.292 0.765 18712 6428 1 11 . 1 1 42 42 LEU N N 42 118.703 118.703 121.117 -2.414 18712 6429 1 11 . 1 1 42 42 LEU HA H 42 4.403 4.403 4.127 0.276 18712 6430 1 11 . 1 1 42 42 LEU CA C 42 54.062 54.062 56.454 -2.392 18712 6431 1 11 . 1 1 42 42 LEU CB C 42 42.812 42.812 42.553 0.259 18712 6432 1 11 . 1 1 42 42 LEU H H 42 7.719 7.719 7.896 -0.177 18712 6433 1 11 . 1 1 43 43 ASP N N 43 122.791 122.791 123.905 -1.114 18712 6434 1 11 . 1 1 43 43 ASP HA H 43 4.481 4.481 4.769 -0.288 18712 6435 1 11 . 1 1 43 43 ASP CA C 43 52.656 52.656 53.043 -0.387 18712 6436 1 11 . 1 1 43 43 ASP CB C 43 39.648 39.648 43.388 -3.740 18712 6437 1 11 . 1 1 43 43 ASP H H 43 8.933 8.933 7.937 0.996 18712 6438 1 11 . 1 1 44 44 ASP N N 44 114.917 114.917 119.563 -4.646 18712 6439 1 11 . 1 1 44 44 ASP HA H 44 4.278 4.278 4.484 -0.206 18712 6440 1 11 . 1 1 44 44 ASP CA C 44 56.875 56.875 56.175 0.700 18712 6441 1 11 . 1 1 44 44 ASP CB C 44 40.000 40.000 40.988 -0.988 18712 6442 1 11 . 1 1 44 44 ASP H H 44 8.281 8.281 8.759 -0.478 18712 6443 1 11 . 1 1 45 45 ARG N N 45 118.140 118.140 117.468 0.672 18712 6444 1 11 . 1 1 45 45 ARG HA H 45 4.366 4.366 4.243 0.123 18712 6445 1 11 . 1 1 45 45 ARG CA C 45 55.117 55.117 56.514 -1.397 18712 6446 1 11 . 1 1 45 45 ARG CB C 45 30.859 30.859 30.334 0.525 18712 6447 1 11 . 1 1 45 45 ARG H H 45 8.500 8.500 8.389 0.111 18712 6448 1 11 . 1 1 46 46 GLY N N 46 101.828 101.828 106.948 -5.120 18712 6449 1 11 . 1 1 46 46 GLY CA C 46 45.273 45.273 45.055 0.218 18712 6450 1 11 . 1 1 46 46 GLY H H 46 7.680 7.680 7.837 -0.157 18712 6451 1 11 . 1 1 47 47 VAL N N 47 119.955 119.955 118.039 1.916 18712 6452 1 11 . 1 1 47 47 VAL HA H 47 4.406 4.406 4.283 0.123 18712 6453 1 11 . 1 1 47 47 VAL CA C 47 61.796 61.796 59.566 2.230 18712 6454 1 11 . 1 1 47 47 VAL CB C 47 33.672 33.672 34.646 -0.974 18712 6455 1 11 . 1 1 47 47 VAL H H 47 8.007 8.007 7.389 0.618 18712 6456 1 11 . 1 1 48 48 ILE N N 48 128.406 128.406 125.468 2.938 18712 6457 1 11 . 1 1 48 48 ILE HA H 48 4.202 4.202 3.965 0.237 18712 6458 1 11 . 1 1 48 48 ILE CA C 48 59.687 59.687 60.807 -1.120 18712 6459 1 11 . 1 1 48 48 ILE CB C 48 38.945 38.945 36.553 2.392 18712 6460 1 11 . 1 1 48 48 ILE H H 48 8.145 8.145 8.247 -0.102 18712 6461 1 11 . 1 1 49 49 ARG N N 49 123.765 123.765 126.893 -3.128 18712 6462 1 11 . 1 1 49 49 ARG HA H 49 4.328 4.328 4.254 0.074 18712 6463 1 11 . 1 1 49 49 ARG CA C 49 56.875 56.875 55.995 0.880 18712 6464 1 11 . 1 1 49 49 ARG CB C 49 31.563 31.563 31.593 -0.030 18712 6465 1 11 . 1 1 49 49 ARG H H 49 7.447 7.447 8.112 -0.665 18712 6466 1 11 . 1 1 50 50 ILE N N 50 121.094 121.094 120.574 0.520 18712 6467 1 11 . 1 1 50 50 ILE HA H 50 3.414 3.414 3.625 -0.211 18712 6468 1 11 . 1 1 50 50 ILE CA C 50 64.609 64.609 63.029 1.580 18712 6469 1 11 . 1 1 50 50 ILE H H 50 8.284 8.284 8.230 0.054 18712 6470 1 11 . 1 1 51 51 GLY N N 51 115.791 115.791 113.760 2.031 18712 6471 1 11 . 1 1 51 51 GLY CA C 51 44.922 44.922 44.996 -0.074 18712 6472 1 11 . 1 1 51 51 GLY H H 51 8.679 8.679 8.910 -0.231 18712 6473 1 11 . 1 1 52 52 ALA N N 52 122.065 122.065 123.114 -1.049 18712 6474 1 11 . 1 1 52 52 ALA HA H 52 4.246 4.246 4.561 -0.315 18712 6475 1 11 . 1 1 52 52 ALA CA C 52 52.656 52.656 50.657 2.000 18712 6476 1 11 . 1 1 52 52 ALA CB C 52 18.906 18.906 20.400 -1.494 18712 6477 1 11 . 1 1 52 52 ALA H H 52 7.496 7.496 7.437 0.059 18712 6478 1 11 . 1 1 53 53 GLU N N 53 121.468 121.468 123.934 -2.466 18712 6479 1 11 . 1 1 53 53 GLU HA H 53 4.892 4.892 4.179 0.713 18712 6480 1 11 . 1 1 53 53 GLU CB C 53 30.508 30.508 30.400 0.108 18712 6481 1 11 . 1 1 53 53 GLU H H 53 8.427 8.427 8.617 -0.190 18712 6482 1 11 . 1 1 54 54 VAL N N 54 117.437 117.437 125.804 -8.367 18712 6483 1 11 . 1 1 54 54 VAL HA H 54 4.979 4.979 4.156 0.823 18712 6484 1 11 . 1 1 54 54 VAL CA C 54 58.632 58.632 60.365 -1.733 18712 6485 1 11 . 1 1 54 54 VAL CB C 54 35.781 35.781 33.417 2.364 18712 6486 1 11 . 1 1 54 54 VAL H H 54 9.002 9.002 8.284 0.718 18712 6487 1 11 . 1 1 55 55 LYS N N 55 123.906 123.906 122.935 0.971 18712 6488 1 11 . 1 1 55 55 LYS HA H 55 4.698 4.698 4.488 0.210 18712 6489 1 11 . 1 1 55 55 LYS CA C 55 53.359 53.359 54.603 -1.244 18712 6490 1 11 . 1 1 55 55 LYS CB C 55 35.781 35.781 34.673 1.108 18712 6491 1 11 . 1 1 55 55 LYS H H 55 9.244 9.244 7.839 1.405 18712 6492 1 11 . 1 1 56 56 ASP N N 56 118.562 118.562 121.914 -3.352 18712 6493 1 11 . 1 1 56 56 ASP HA H 56 3.764 3.764 4.247 -0.483 18712 6494 1 11 . 1 1 56 56 ASP CA C 56 56.172 56.172 56.065 0.107 18712 6495 1 11 . 1 1 56 56 ASP CB C 56 40.000 40.000 40.004 -0.004 18712 6496 1 11 . 1 1 56 56 ASP H H 56 8.176 8.176 8.371 -0.195 18712 6497 1 11 . 1 1 57 57 GLY N N 57 112.515 112.515 114.075 -1.560 18712 6498 1 11 . 1 1 57 57 GLY CA C 57 45.625 45.625 45.027 0.598 18712 6499 1 11 . 1 1 57 57 GLY H H 57 8.841 8.841 8.514 0.327 18712 6500 1 11 . 1 1 58 58 ASP N N 58 121.375 121.375 122.401 -1.026 18712 6501 1 11 . 1 1 58 58 ASP HA H 58 4.532 4.532 4.839 -0.307 18712 6502 1 11 . 1 1 58 58 ASP CA C 58 54.765 54.765 53.326 1.439 18712 6503 1 11 . 1 1 58 58 ASP CB C 58 41.055 41.055 40.577 0.478 18712 6504 1 11 . 1 1 58 58 ASP H H 58 8.209 8.209 7.876 0.333 18712 6505 1 11 . 1 1 59 59 LEU N N 59 119.828 119.828 123.153 -3.325 18712 6506 1 11 . 1 1 59 59 LEU HA H 59 3.976 3.976 4.201 -0.225 18712 6507 1 11 . 1 1 59 59 LEU CA C 59 56.875 56.875 55.484 1.391 18712 6508 1 11 . 1 1 59 59 LEU CB C 59 44.219 44.219 42.743 1.476 18712 6509 1 11 . 1 1 59 59 LEU H H 59 8.570 8.570 8.006 0.564 18712 6510 1 11 . 1 1 60 60 LEU N N 60 116.594 116.594 113.327 3.267 18712 6511 1 11 . 1 1 60 60 LEU HA H 60 4.518 4.518 3.981 0.537 18712 6512 1 11 . 1 1 60 60 LEU CB C 60 44.922 44.922 40.481 4.441 18712 6513 1 11 . 1 1 60 60 LEU H H 60 8.816 8.816 7.856 0.960 18712 6514 1 11 . 1 1 61 61 VAL N N 61 115.656 115.656 116.991 -1.335 18712 6515 1 11 . 1 1 61 61 VAL HA H 61 4.618 4.618 4.259 0.359 18712 6516 1 11 . 1 1 61 61 VAL CA C 61 61.093 61.093 61.431 -0.338 18712 6517 1 11 . 1 1 61 61 VAL CB C 61 36.484 36.484 35.207 1.277 18712 6518 1 11 . 1 1 61 61 VAL H H 61 7.322 7.322 7.304 0.018 18712 6519 1 11 . 1 1 62 62 GLY N N 62 117.191 117.191 114.081 3.110 18712 6520 1 11 . 1 1 62 62 GLY CA C 62 45.625 45.625 44.769 0.856 18712 6521 1 11 . 1 1 62 62 GLY H H 62 9.563 9.563 8.272 1.291 18712 6522 1 11 . 1 1 63 63 LYS N N 63 127.584 127.584 126.928 0.656 18712 6523 1 11 . 1 1 63 63 LYS HA H 63 5.328 5.328 4.665 0.663 18712 6524 1 11 . 1 1 63 63 LYS CA C 63 56.172 56.172 55.151 1.021 18712 6525 1 11 . 1 1 63 63 LYS CB C 63 35.078 35.078 34.597 0.481 18712 6526 1 11 . 1 1 63 63 LYS H H 63 8.712 8.712 7.797 0.915 18712 6527 1 11 . 1 1 64 64 VAL N N 64 114.383 114.383 122.871 -8.488 18712 6528 1 11 . 1 1 64 64 VAL HA H 64 5.523 5.523 4.898 0.625 18712 6529 1 11 . 1 1 64 64 VAL CA C 64 57.578 57.578 60.704 -3.126 18712 6530 1 11 . 1 1 64 64 VAL CB C 64 35.781 35.781 34.495 1.286 18712 6531 1 11 . 1 1 64 64 VAL H H 64 8.481 8.481 7.982 0.499 18712 6532 1 11 . 1 1 65 65 THR N N 65 118.431 118.431 117.287 1.144 18712 6533 1 11 . 1 1 65 65 THR HA H 65 4.602 4.602 4.914 -0.312 18712 6534 1 11 . 1 1 65 65 THR CA C 65 59.687 59.687 58.974 0.713 18712 6535 1 11 . 1 1 65 65 THR CB C 65 72.343 72.343 69.091 3.252 18712 6536 1 11 . 1 1 65 65 THR H H 65 8.637 8.637 8.200 0.437 18712 6537 1 11 . 1 1 66 66 PRO HA H 66 4.557 4.557 4.412 0.145 18712 6538 1 11 . 1 1 66 66 PRO CA C 66 63.906 63.906 62.696 1.210 18712 6539 1 11 . 1 1 66 66 PRO CB C 66 32.969 32.969 32.531 0.438 18712 6540 1 11 . 1 1 67 67 LYS N N 67 122.359 122.359 120.799 1.560 18712 6541 1 11 . 1 1 67 67 LYS HA H 67 4.391 4.391 4.515 -0.124 18712 6542 1 11 . 1 1 67 67 LYS CA C 67 56.172 56.172 54.803 1.369 18712 6543 1 11 . 1 1 67 67 LYS CB C 67 35.078 35.078 33.886 1.192 18712 6544 1 11 . 1 1 67 67 LYS H H 67 8.371 8.371 7.823 0.548 18712 6545 1 11 . 1 1 68 68 GLY N N 68 109.563 109.563 107.046 2.517 18712 6546 1 11 . 1 1 68 68 GLY CA C 68 44.922 44.922 44.089 0.833 18712 6547 1 11 . 1 1 68 68 GLY H H 68 8.583 8.583 8.051 0.532 18712 6548 1 11 . 1 1 69 69 VAL N N 69 118.378 118.378 115.112 3.266 18712 6549 1 11 . 1 1 69 69 VAL HA H 69 4.032 4.032 4.239 -0.207 18712 6550 1 11 . 1 1 69 69 VAL CA C 69 63.203 63.203 64.272 -1.069 18712 6551 1 11 . 1 1 69 69 VAL CB C 69 32.266 32.266 32.360 -0.094 18712 6552 1 11 . 1 1 69 69 VAL H H 69 8.235 8.235 8.222 0.013 18712 6553 1 11 . 1 1 70 70 THR N N 70 114.484 114.484 114.608 -0.124 18712 6554 1 11 . 1 1 70 70 THR HA H 70 4.281 4.281 4.280 0.001 18712 6555 1 11 . 1 1 70 70 THR CA C 70 62.500 62.500 63.735 -1.235 18712 6556 1 11 . 1 1 70 70 THR CB C 70 69.531 69.531 68.877 0.654 18712 6557 1 11 . 1 1 70 70 THR H H 70 8.085 8.085 7.777 0.308 18712 6558 1 11 . 1 1 71 71 GLU N N 71 121.656 121.656 121.194 0.462 18712 6559 1 11 . 1 1 71 71 GLU HA H 71 4.325 4.325 4.442 -0.117 18712 6560 1 11 . 1 1 71 71 GLU CA C 71 56.172 56.172 55.752 0.420 18712 6561 1 11 . 1 1 71 71 GLU CB C 71 30.859 30.859 29.321 1.538 18712 6562 1 11 . 1 1 71 71 GLU H H 71 8.175 8.175 8.272 -0.097 18712 6563 1 11 . 1 1 72 72 LEU N N 72 122.219 122.219 120.142 2.077 18712 6564 1 11 . 1 1 72 72 LEU HA H 72 4.534 4.534 4.425 0.109 18712 6565 1 11 . 1 1 72 72 LEU CA C 72 54.765 54.765 54.224 0.541 18712 6566 1 11 . 1 1 72 72 LEU CB C 72 42.812 42.812 42.811 0.001 18712 6567 1 11 . 1 1 72 72 LEU H H 72 7.770 7.770 7.453 0.317 18712 6568 1 11 . 1 1 73 73 THR N N 73 114.407 114.407 109.414 4.993 18712 6569 1 11 . 1 1 73 73 THR HA H 73 4.405 4.405 4.532 -0.127 18712 6570 1 11 . 1 1 73 73 THR CA C 73 61.093 61.093 60.057 1.036 18712 6571 1 11 . 1 1 73 73 THR CB C 73 70.937 70.937 70.640 0.297 18712 6572 1 11 . 1 1 73 73 THR H H 73 8.869 8.869 8.050 0.819 18712 6573 1 11 . 1 1 74 74 ALA N N 74 123.782 123.782 126.055 -2.273 18712 6574 1 11 . 1 1 74 74 ALA HA H 74 4.026 4.026 4.059 -0.033 18712 6575 1 11 . 1 1 74 74 ALA CA C 74 55.468 55.468 55.068 0.400 18712 6576 1 11 . 1 1 74 74 ALA CB C 74 18.203 18.203 18.489 -0.286 18712 6577 1 11 . 1 1 74 74 ALA H H 74 8.831 8.831 8.748 0.083 18712 6578 1 11 . 1 1 75 75 GLU N N 75 117.578 117.578 118.174 -0.596 18712 6579 1 11 . 1 1 75 75 GLU HA H 75 4.043 4.043 4.006 0.037 18712 6580 1 11 . 1 1 75 75 GLU CA C 75 59.687 59.687 59.496 0.191 18712 6581 1 11 . 1 1 75 75 GLU CB C 75 29.453 29.453 29.182 0.271 18712 6582 1 11 . 1 1 75 75 GLU H H 75 8.637 8.637 8.849 -0.212 18712 6583 1 11 . 1 1 76 76 GLU N N 76 120.042 120.042 117.857 2.185 18712 6584 1 11 . 1 1 76 76 GLU HA H 76 4.010 4.010 4.102 -0.092 18712 6585 1 11 . 1 1 76 76 GLU CA C 76 58.281 58.281 58.904 -0.623 18712 6586 1 11 . 1 1 76 76 GLU CB C 76 30.859 30.859 29.334 1.526 18712 6587 1 11 . 1 1 76 76 GLU H H 76 7.847 7.847 7.662 0.185 18712 6588 1 11 . 1 1 77 77 ARG N N 77 119.687 119.687 118.456 1.231 18712 6589 1 11 . 1 1 77 77 ARG HA H 77 3.975 3.975 4.094 -0.119 18712 6590 1 11 . 1 1 77 77 ARG CA C 77 58.984 58.984 59.199 -0.215 18712 6591 1 11 . 1 1 77 77 ARG CB C 77 30.156 30.156 30.348 -0.192 18712 6592 1 11 . 1 1 77 77 ARG H H 77 8.452 8.452 7.533 0.919 18712 6593 1 11 . 1 1 78 78 LEU N N 78 120.250 120.250 119.326 0.924 18712 6594 1 11 . 1 1 78 78 LEU HA H 78 4.210 4.210 4.280 -0.070 18712 6595 1 11 . 1 1 78 78 LEU CA C 78 56.875 56.875 57.633 -0.758 18712 6596 1 11 . 1 1 78 78 LEU CB C 78 42.109 42.109 41.343 0.766 18712 6597 1 11 . 1 1 78 78 LEU H H 78 7.685 7.685 7.842 -0.157 18712 6598 1 11 . 1 1 79 79 LEU N N 79 119.265 119.265 120.654 -1.389 18712 6599 1 11 . 1 1 79 79 LEU HA H 79 4.208 4.208 3.998 0.210 18712 6600 1 11 . 1 1 79 79 LEU CA C 79 56.875 56.875 57.877 -1.002 18712 6601 1 11 . 1 1 79 79 LEU CB C 79 42.109 42.109 41.408 0.701 18712 6602 1 11 . 1 1 79 79 LEU H H 79 7.679 7.679 8.267 -0.588 18712 6603 1 11 . 1 1 80 80 HIS N N 80 118.348 118.348 119.244 -0.896 18712 6604 1 11 . 1 1 80 80 HIS HA H 80 4.422 4.422 4.285 0.137 18712 6605 1 11 . 1 1 80 80 HIS CA C 80 57.578 57.578 59.613 -2.035 18712 6606 1 11 . 1 1 80 80 HIS CB C 80 30.156 30.156 29.868 0.288 18712 6607 1 11 . 1 1 80 80 HIS H H 80 8.127 8.127 7.740 0.387 18712 6608 1 11 . 1 1 81 81 ALA N N 81 122.359 122.359 120.443 1.916 18712 6609 1 11 . 1 1 81 81 ALA HA H 81 4.204 4.204 4.275 -0.071 18712 6610 1 11 . 1 1 81 81 ALA CA C 81 54.062 54.062 53.904 0.158 18712 6611 1 11 . 1 1 81 81 ALA CB C 81 18.906 18.906 18.530 0.376 18712 6612 1 11 . 1 1 81 81 ALA H H 81 7.908 7.908 7.987 -0.079 18712 6613 1 11 . 1 1 82 82 ILE N N 82 117.705 117.705 118.036 -0.331 18712 6614 1 11 . 1 1 82 82 ILE HA H 82 3.972 3.972 3.899 0.073 18712 6615 1 11 . 1 1 82 82 ILE CA C 82 62.500 62.500 63.959 -1.459 18712 6616 1 11 . 1 1 82 82 ILE CB C 82 38.594 38.594 38.430 0.164 18712 6617 1 11 . 1 1 82 82 ILE H H 82 7.780 7.780 7.461 0.319 18712 6618 1 11 . 1 1 83 83 PHE N N 83 120.528 120.528 118.358 2.170 18712 6619 1 11 . 1 1 83 83 PHE HA H 83 4.633 4.633 4.347 0.286 18712 6620 1 11 . 1 1 83 83 PHE CA C 83 58.281 58.281 59.304 -1.023 18712 6621 1 11 . 1 1 83 83 PHE CB C 83 40.000 40.000 39.883 0.117 18712 6622 1 11 . 1 1 83 83 PHE H H 83 8.227 8.227 8.132 0.095 18712 6623 1 11 . 1 1 84 84 GLY N N 84 110.328 110.328 106.700 3.628 18712 6624 1 11 . 1 1 84 84 GLY CA C 84 45.625 45.625 45.311 0.314 18712 6625 1 11 . 1 1 84 84 GLY H H 84 8.157 8.157 7.853 0.304 18712 6626 1 11 . 1 1 85 85 GLU N N 85 120.975 120.975 115.591 5.384 18712 6627 1 11 . 1 1 85 85 GLU HA H 85 4.234 4.234 4.378 -0.144 18712 6628 1 11 . 1 1 85 85 GLU CA C 85 57.226 57.226 53.853 3.373 18712 6629 1 11 . 1 1 85 85 GLU CB C 85 30.156 30.156 31.847 -1.691 18712 6630 1 11 . 1 1 85 85 GLU H H 85 8.374 8.374 7.630 0.744 18712 6631 1 11 . 1 1 86 86 LYS N N 86 121.202 121.202 121.210 -0.008 18712 6632 1 11 . 1 1 86 86 LYS HA H 86 4.291 4.291 4.290 0.001 18712 6633 1 11 . 1 1 86 86 LYS CA C 86 56.172 56.172 57.055 -0.883 18712 6634 1 11 . 1 1 86 86 LYS CB C 86 32.969 32.969 32.778 0.191 18712 6635 1 11 . 1 1 86 86 LYS H H 86 8.230 8.230 8.421 -0.191 18712 6636 1 11 . 1 1 87 87 ALA N N 87 124.596 124.596 126.161 -1.565 18712 6637 1 11 . 1 1 87 87 ALA HA H 87 4.236 4.236 4.464 -0.228 18712 6638 1 11 . 1 1 87 87 ALA CA C 87 52.656 52.656 51.526 1.130 18712 6639 1 11 . 1 1 87 87 ALA CB C 87 19.610 19.610 20.365 -0.755 18712 6640 1 11 . 1 1 87 87 ALA H H 87 8.179 8.179 8.373 -0.194 18712 6641 1 11 . 1 1 88 88 ARG N N 88 120.688 120.688 122.928 -2.240 18712 6642 1 11 . 1 1 88 88 ARG HA H 88 4.344 4.344 4.628 -0.284 18712 6643 1 11 . 1 1 88 88 ARG CA C 88 56.172 56.172 55.180 0.992 18712 6644 1 11 . 1 1 88 88 ARG CB C 88 30.859 30.859 31.189 -0.330 18712 6645 1 11 . 1 1 88 88 ARG H H 88 8.274 8.274 8.337 -0.063 18712 6646 1 11 . 1 1 89 89 GLU N N 89 124.469 124.469 120.704 3.765 18712 6647 1 11 . 1 1 89 89 GLU HA H 89 4.575 4.575 4.616 -0.041 18712 6648 1 11 . 1 1 89 89 GLU CA C 89 55.468 55.468 55.411 0.057 18712 6649 1 11 . 1 1 89 89 GLU CB C 89 30.156 30.156 31.931 -1.776 18712 6650 1 11 . 1 1 89 89 GLU H H 89 8.632 8.632 8.443 0.189 18712 6651 1 11 . 1 1 90 90 VAL N N 90 114.440 114.440 119.035 -4.595 18712 6652 1 11 . 1 1 90 90 VAL HA H 90 5.047 5.047 4.287 0.760 18712 6653 1 11 . 1 1 90 90 VAL CA C 90 58.984 58.984 60.358 -1.375 18712 6654 1 11 . 1 1 90 90 VAL CB C 90 36.484 36.484 34.961 1.523 18712 6655 1 11 . 1 1 90 90 VAL H H 90 8.246 8.246 8.343 -0.097 18712 6656 1 11 . 1 1 91 91 ARG N N 91 118.602 118.602 123.786 -5.184 18712 6657 1 11 . 1 1 91 91 ARG HA H 91 4.771 4.771 4.675 0.096 18712 6658 1 11 . 1 1 91 91 ARG CB C 91 33.672 33.672 32.564 1.108 18712 6659 1 11 . 1 1 91 91 ARG H H 91 9.062 9.062 9.183 -0.121 18712 6660 1 11 . 1 1 92 92 ASP N N 92 121.656 121.656 124.676 -3.020 18712 6661 1 11 . 1 1 92 92 ASP HA H 92 4.754 4.754 4.797 -0.043 18712 6662 1 11 . 1 1 92 92 ASP CB C 92 41.406 41.406 41.242 0.164 18712 6663 1 11 . 1 1 92 92 ASP H H 92 8.770 8.770 8.617 0.153 18712 6664 1 11 . 1 1 93 93 THR N N 93 124.654 124.654 112.417 12.237 18712 6665 1 11 . 1 1 93 93 THR HA H 93 4.586 4.586 4.423 0.164 18712 6666 1 11 . 1 1 93 93 THR CA C 93 60.390 60.390 61.187 -0.797 18712 6667 1 11 . 1 1 93 93 THR CB C 93 66.718 66.718 69.294 -2.576 18712 6668 1 11 . 1 1 93 93 THR H H 93 9.253 9.253 8.045 1.208 18712 6669 1 11 . 1 1 94 94 SER N N 94 117.437 117.437 118.184 -0.747 18712 6670 1 11 . 1 1 94 94 SER HA H 94 4.455 4.455 4.354 0.101 18712 6671 1 11 . 1 1 94 94 SER CA C 94 60.390 60.390 58.663 1.726 18712 6672 1 11 . 1 1 94 94 SER CB C 94 63.906 63.906 63.950 -0.044 18712 6673 1 11 . 1 1 94 94 SER H H 94 8.564 8.564 7.638 0.926 18712 6674 1 11 . 1 1 95 95 LEU N N 95 125.594 125.594 117.256 8.338 18712 6675 1 11 . 1 1 95 95 LEU HA H 95 4.684 4.684 4.528 0.156 18712 6676 1 11 . 1 1 95 95 LEU CB C 95 43.516 43.516 42.756 0.760 18712 6677 1 11 . 1 1 95 95 LEU H H 95 8.964 8.964 8.275 0.688 18712 6678 1 11 . 1 1 96 96 ARG N N 96 128.669 128.669 121.974 6.695 18712 6679 1 11 . 1 1 96 96 ARG HA H 96 5.061 5.061 4.475 0.586 18712 6680 1 11 . 1 1 96 96 ARG CA C 96 54.062 54.062 55.083 -1.021 18712 6681 1 11 . 1 1 96 96 ARG CB C 96 34.375 34.375 30.431 3.944 18712 6682 1 11 . 1 1 96 96 ARG H H 96 8.709 8.709 8.476 0.233 18712 6683 1 11 . 1 1 97 97 VAL N N 97 121.375 121.375 127.056 -5.681 18712 6684 1 11 . 1 1 97 97 VAL HA H 97 3.386 3.386 4.556 -1.170 18712 6685 1 11 . 1 1 97 97 VAL CA C 97 61.093 61.093 58.881 2.212 18712 6686 1 11 . 1 1 97 97 VAL CB C 97 32.266 32.266 33.305 -1.039 18712 6687 1 11 . 1 1 97 97 VAL H H 97 8.745 8.745 8.511 0.234 18712 6688 1 11 . 1 1 98 98 PRO HA H 98 4.543 4.543 4.549 -0.006 18712 6689 1 11 . 1 1 98 98 PRO CA C 98 62.500 62.500 62.386 0.114 18712 6690 1 11 . 1 1 98 98 PRO CB C 98 32.969 32.969 32.744 0.225 18712 6691 1 11 . 1 1 99 99 HIS N N 99 118.140 118.140 118.010 0.130 18712 6692 1 11 . 1 1 99 99 HIS HA H 99 4.272 4.272 4.406 -0.134 18712 6693 1 11 . 1 1 99 99 HIS CA C 99 58.281 58.281 57.788 0.493 18712 6694 1 11 . 1 1 99 99 HIS CB C 99 30.156 30.156 30.339 -0.183 18712 6695 1 11 . 1 1 99 99 HIS H H 99 8.368 8.368 8.459 -0.091 18712 6696 1 11 . 1 1 100 100 GLY N N 100 116.101 116.101 116.339 -0.238 18712 6697 1 11 . 1 1 100 100 GLY CA C 100 45.625 45.625 45.567 0.058 18712 6698 1 11 . 1 1 100 100 GLY H H 100 9.411 9.411 8.828 0.583 18712 6699 1 11 . 1 1 101 101 GLY N N 101 108.798 108.798 109.865 -1.067 18712 6700 1 11 . 1 1 101 101 GLY CA C 101 45.625 45.625 45.663 -0.038 18712 6701 1 11 . 1 1 101 101 GLY H H 101 8.399 8.399 8.092 0.307 18712 6702 1 11 . 1 1 102 102 GLY N N 102 105.967 105.967 109.504 -3.537 18712 6703 1 11 . 1 1 102 102 GLY CA C 102 45.625 45.625 45.345 0.280 18712 6704 1 11 . 1 1 102 102 GLY H H 102 8.310 8.310 8.322 -0.012 18712 6705 1 11 . 1 1 103 103 GLY N N 103 107.574 107.574 107.246 0.328 18712 6706 1 11 . 1 1 103 103 GLY CA C 103 46.328 46.328 43.707 2.621 18712 6707 1 11 . 1 1 103 103 GLY H H 103 8.075 8.075 7.600 0.475 18712 6708 1 11 . 1 1 104 104 ILE N N 104 122.219 122.219 118.398 3.821 18712 6709 1 11 . 1 1 104 104 ILE HA H 104 5.075 5.075 4.435 0.640 18712 6710 1 11 . 1 1 104 104 ILE CA C 104 58.281 58.281 60.105 -1.824 18712 6711 1 11 . 1 1 104 104 ILE CB C 104 40.703 40.703 42.457 -1.754 18712 6712 1 11 . 1 1 104 104 ILE H H 104 8.269 8.269 7.639 0.630 18712 6713 1 11 . 1 1 105 105 ILE N N 105 124.237 124.237 124.840 -0.603 18712 6714 1 11 . 1 1 105 105 ILE HA H 105 4.312 4.312 4.331 -0.019 18712 6715 1 11 . 1 1 105 105 ILE CA C 105 60.390 60.390 61.169 -0.779 18712 6716 1 11 . 1 1 105 105 ILE CB C 105 34.375 34.375 35.175 -0.800 18712 6717 1 11 . 1 1 105 105 ILE H H 105 8.965 8.965 8.341 0.624 18712 6718 1 11 . 1 1 106 106 HIS N N 106 135.053 135.053 126.134 8.919 18712 6719 1 11 . 1 1 106 106 HIS HA H 106 4.506 4.506 4.779 -0.273 18712 6720 1 11 . 1 1 106 106 HIS CA C 106 57.578 57.578 55.752 1.826 18712 6721 1 11 . 1 1 106 106 HIS CB C 106 33.672 33.672 31.373 2.299 18712 6722 1 11 . 1 1 106 106 HIS H H 106 9.604 9.604 8.452 1.152 18712 6723 1 11 . 1 1 107 107 ASP N N 107 112.528 112.528 118.908 -6.380 18712 6724 1 11 . 1 1 107 107 ASP HA H 107 4.707 4.707 4.592 0.115 18712 6725 1 11 . 1 1 107 107 ASP CB C 107 42.812 42.812 43.342 -0.530 18712 6726 1 11 . 1 1 107 107 ASP H H 107 7.930 7.930 7.149 0.780 18712 6727 1 11 . 1 1 108 108 VAL N N 108 121.656 121.656 119.667 1.989 18712 6728 1 11 . 1 1 108 108 VAL HA H 108 5.028 5.028 4.623 0.405 18712 6729 1 11 . 1 1 108 108 VAL CA C 108 61.796 61.796 60.920 0.876 18712 6730 1 11 . 1 1 108 108 VAL CB C 108 36.484 36.484 35.427 1.057 18712 6731 1 11 . 1 1 108 108 VAL H H 108 8.325 8.325 8.198 0.127 18712 6732 1 11 . 1 1 109 109 LYS N N 109 126.798 126.798 126.549 0.249 18712 6733 1 11 . 1 1 109 109 LYS HA H 109 4.676 4.676 4.475 0.201 18712 6734 1 11 . 1 1 109 109 LYS CB C 109 37.187 37.187 35.548 1.639 18712 6735 1 11 . 1 1 109 109 LYS H H 109 9.417 9.417 8.904 0.513 18712 6736 1 11 . 1 1 110 110 VAL N N 110 121.892 121.892 122.581 -0.689 18712 6737 1 11 . 1 1 110 110 VAL HA H 110 4.676 4.676 4.507 0.169 18712 6738 1 11 . 1 1 110 110 VAL CB C 110 33.672 33.672 33.700 -0.028 18712 6739 1 11 . 1 1 110 110 VAL H H 110 8.206 8.206 7.966 0.240 18712 6740 1 11 . 1 1 111 111 PHE N N 111 126.578 126.578 127.817 -1.239 18712 6741 1 11 . 1 1 111 111 PHE HA H 111 4.995 4.995 4.792 0.203 18712 6742 1 11 . 1 1 111 111 PHE CA C 111 56.172 56.172 56.318 -0.146 18712 6743 1 11 . 1 1 111 111 PHE CB C 111 42.109 42.109 41.639 0.470 18712 6744 1 11 . 1 1 111 111 PHE H H 111 9.459 9.459 9.215 0.244 18712 6745 1 11 . 1 1 112 112 ASN N N 112 121.797 121.797 120.865 0.932 18712 6746 1 11 . 1 1 112 112 ASN HA H 112 5.425 5.425 5.235 0.190 18712 6747 1 11 . 1 1 112 112 ASN CA C 112 52.656 52.656 51.961 0.695 18712 6748 1 11 . 1 1 112 112 ASN CB C 112 42.109 42.109 42.261 -0.152 18712 6749 1 11 . 1 1 112 112 ASN H H 112 10.663 10.663 8.329 2.334 18712 6750 1 11 . 1 1 113 113 ARG N N 113 130.516 130.516 125.954 4.562 18712 6751 1 11 . 1 1 113 113 ARG HA H 113 4.435 4.435 4.294 0.141 18712 6752 1 11 . 1 1 113 113 ARG CA C 113 59.687 59.687 59.139 0.548 18712 6753 1 11 . 1 1 113 113 ARG CB C 113 30.859 30.859 29.960 0.899 18712 6754 1 11 . 1 1 113 113 ARG H H 113 9.138 9.138 8.886 0.252 18712 6755 1 11 . 1 1 114 114 GLU N N 114 119.008 119.008 119.051 -0.043 18712 6756 1 11 . 1 1 114 114 GLU HA H 114 4.142 4.142 4.113 0.029 18712 6757 1 11 . 1 1 114 114 GLU CA C 114 58.281 58.281 58.716 -0.435 18712 6758 1 11 . 1 1 114 114 GLU CB C 114 29.453 29.453 28.409 1.044 18712 6759 1 11 . 1 1 114 114 GLU H H 114 8.924 8.924 8.463 0.461 18712 6760 1 11 . 1 1 115 115 ASP N N 115 116.593 116.593 118.949 -2.356 18712 6761 1 11 . 1 1 115 115 ASP HA H 115 4.869 4.869 4.556 0.313 18712 6762 1 11 . 1 1 115 115 ASP CA C 115 54.062 54.062 54.845 -0.783 18712 6763 1 11 . 1 1 115 115 ASP CB C 115 42.109 42.109 41.749 0.360 18712 6764 1 11 . 1 1 115 115 ASP H H 115 7.356 7.356 7.742 -0.386 18712 6765 1 11 . 1 1 116 116 GLY N N 116 106.689 106.689 108.173 -1.484 18712 6766 1 11 . 1 1 116 116 GLY CA C 116 44.922 44.922 44.633 0.289 18712 6767 1 11 . 1 1 116 116 GLY H H 116 7.918 7.918 7.856 0.062 18712 6768 1 11 . 1 1 117 117 ASP N N 117 119.329 119.329 121.797 -2.468 18712 6769 1 11 . 1 1 117 117 ASP HA H 117 4.632 4.632 4.716 -0.084 18712 6770 1 11 . 1 1 117 117 ASP CA C 117 55.468 55.468 53.666 1.802 18712 6771 1 11 . 1 1 117 117 ASP CB C 117 41.406 41.406 41.230 0.176 18712 6772 1 11 . 1 1 117 117 ASP H H 117 7.220 7.220 7.881 -0.661 18712 6773 1 11 . 1 1 118 118 GLU N N 118 123.484 123.484 125.083 -1.599 18712 6774 1 11 . 1 1 118 118 GLU HA H 118 4.240 4.240 4.287 -0.047 18712 6775 1 11 . 1 1 118 118 GLU CA C 118 56.875 56.875 56.965 -0.090 18712 6776 1 11 . 1 1 118 118 GLU CB C 118 29.453 29.453 30.507 -1.054 18712 6777 1 11 . 1 1 118 118 GLU H H 118 8.626 8.626 8.525 0.101 18712 6778 1 11 . 1 1 119 119 LEU N N 119 129.139 129.139 124.222 4.917 18712 6779 1 11 . 1 1 119 119 LEU HA H 119 4.759 4.759 4.719 0.040 18712 6780 1 11 . 1 1 119 119 LEU CB C 119 44.219 44.219 43.917 0.302 18712 6781 1 11 . 1 1 119 119 LEU H H 119 8.106 8.106 8.241 -0.135 18712 6782 1 11 . 1 1 120 120 PRO CB C 120 31.914 31.914 30.782 1.132 18712 6783 1 11 . 1 1 121 121 PRO HA H 121 4.269 4.269 4.326 -0.057 18712 6784 1 11 . 1 1 121 121 PRO CA C 121 63.906 63.906 63.731 0.175 18712 6785 1 11 . 1 1 121 121 PRO CB C 121 31.563 31.563 31.077 0.486 18712 6786 1 11 . 1 1 122 122 GLY N N 122 112.656 112.656 111.771 0.885 18712 6787 1 11 . 1 1 122 122 GLY CA C 122 45.625 45.625 44.927 0.698 18712 6788 1 11 . 1 1 122 122 GLY H H 122 8.827 8.827 8.719 0.108 18712 6789 1 11 . 1 1 123 123 VAL N N 123 119.406 119.406 119.937 -0.531 18712 6790 1 11 . 1 1 123 123 VAL HA H 123 4.017 4.017 4.521 -0.504 18712 6791 1 11 . 1 1 123 123 VAL CA C 123 62.851 62.851 61.652 1.199 18712 6792 1 11 . 1 1 123 123 VAL CB C 123 32.266 32.266 33.136 -0.870 18712 6793 1 11 . 1 1 123 123 VAL H H 123 7.845 7.845 7.443 0.402 18712 6794 1 11 . 1 1 124 124 ASN N N 124 124.609 124.609 120.063 4.546 18712 6795 1 11 . 1 1 124 124 ASN HA H 124 4.877 4.877 4.889 -0.012 18712 6796 1 11 . 1 1 124 124 ASN CA C 124 54.765 54.765 53.098 1.667 18712 6797 1 11 . 1 1 124 124 ASN CB C 124 40.000 40.000 41.169 -1.169 18712 6798 1 11 . 1 1 124 124 ASN H H 124 9.206 9.206 8.714 0.492 18712 6799 1 11 . 1 1 125 125 GLN N N 125 117.959 117.959 115.279 2.680 18712 6800 1 11 . 1 1 125 125 GLN HA H 125 5.234 5.234 4.760 0.474 18712 6801 1 11 . 1 1 125 125 GLN CA C 125 56.172 56.172 55.209 0.963 18712 6802 1 11 . 1 1 125 125 GLN CB C 125 33.672 33.672 33.153 0.519 18712 6803 1 11 . 1 1 125 125 GLN H H 125 7.756 7.756 7.537 0.219 18712 6804 1 11 . 1 1 126 126 LEU N N 126 125.559 125.559 122.474 3.085 18712 6805 1 11 . 1 1 126 126 LEU HA H 126 5.261 5.261 5.033 0.228 18712 6806 1 11 . 1 1 126 126 LEU CA C 126 54.765 54.765 54.355 0.410 18712 6807 1 11 . 1 1 126 126 LEU CB C 126 47.734 47.734 46.176 1.558 18712 6808 1 11 . 1 1 126 126 LEU H H 126 8.866 8.866 8.468 0.398 18712 6809 1 11 . 1 1 127 127 VAL N N 127 126.578 126.578 125.044 1.534 18712 6810 1 11 . 1 1 127 127 VAL HA H 127 5.127 5.127 4.729 0.398 18712 6811 1 11 . 1 1 127 127 VAL CA C 127 60.390 60.390 61.096 -0.706 18712 6812 1 11 . 1 1 127 127 VAL CB C 127 35.078 35.078 35.602 -0.525 18712 6813 1 11 . 1 1 127 127 VAL H H 127 9.367 9.367 9.006 0.361 18712 6814 1 11 . 1 1 128 128 ARG N N 128 126.578 126.578 125.236 1.342 18712 6815 1 11 . 1 1 128 128 ARG HA H 128 5.259 5.259 5.267 -0.008 18712 6816 1 11 . 1 1 128 128 ARG CA C 128 54.765 54.765 54.373 0.392 18712 6817 1 11 . 1 1 128 128 ARG CB C 128 33.672 33.672 33.868 -0.196 18712 6818 1 11 . 1 1 128 128 ARG H H 128 9.502 9.502 8.737 0.765 18712 6819 1 11 . 1 1 129 129 VAL N N 129 123.977 123.977 122.075 1.902 18712 6820 1 11 . 1 1 129 129 VAL HA H 129 4.489 4.489 4.347 0.142 18712 6821 1 11 . 1 1 129 129 VAL CA C 129 61.093 61.093 61.696 -0.603 18712 6822 1 11 . 1 1 129 129 VAL CB C 129 35.078 35.078 33.804 1.274 18712 6823 1 11 . 1 1 129 129 VAL H H 129 9.051 9.051 8.109 0.942 18712 6824 1 11 . 1 1 130 130 TYR N N 130 124.673 124.673 123.300 1.373 18712 6825 1 11 . 1 1 130 130 TYR HA H 130 5.419 5.419 5.121 0.298 18712 6826 1 11 . 1 1 130 130 TYR CA C 130 56.172 56.172 56.623 -0.451 18712 6827 1 11 . 1 1 130 130 TYR CB C 130 39.297 39.297 40.834 -1.537 18712 6828 1 11 . 1 1 130 130 TYR H H 130 8.650 8.650 8.425 0.225 18712 6829 1 11 . 1 1 131 131 ILE N N 131 125.227 125.227 123.779 1.448 18712 6830 1 11 . 1 1 131 131 ILE HA H 131 4.869 4.869 4.824 0.045 18712 6831 1 11 . 1 1 131 131 ILE CB C 131 40.000 40.000 40.917 -0.917 18712 6832 1 11 . 1 1 131 131 ILE H H 131 9.509 9.509 8.955 0.554 18712 6833 1 11 . 1 1 132 132 VAL N N 132 126.859 126.859 124.784 2.075 18712 6834 1 11 . 1 1 132 132 VAL HA H 132 4.729 4.729 4.745 -0.016 18712 6835 1 11 . 1 1 132 132 VAL CA C 132 61.093 61.093 60.834 0.259 18712 6836 1 11 . 1 1 132 132 VAL CB C 132 33.672 33.672 32.542 1.130 18712 6837 1 11 . 1 1 132 132 VAL H H 132 9.606 9.606 8.107 1.499 18712 6838 1 11 . 1 1 133 133 GLN N N 133 128.406 128.406 128.206 0.200 18712 6839 1 11 . 1 1 133 133 GLN HA H 133 4.751 4.751 4.493 0.258 18712 6840 1 11 . 1 1 133 133 GLN CA C 133 54.765 54.765 54.709 0.056 18712 6841 1 11 . 1 1 133 133 GLN CB C 133 31.563 31.563 29.068 2.495 18712 6842 1 11 . 1 1 133 133 GLN H H 133 9.153 9.153 8.413 0.740 18712 6843 1 11 . 1 1 134 134 LYS N N 134 122.929 122.929 124.055 -1.126 18712 6844 1 11 . 1 1 134 134 LYS HA H 134 4.725 4.725 4.361 0.364 18712 6845 1 11 . 1 1 134 134 LYS CA C 134 56.172 56.172 55.285 0.887 18712 6846 1 11 . 1 1 134 134 LYS CB C 134 33.320 33.320 33.099 0.221 18712 6847 1 11 . 1 1 134 134 LYS H H 134 8.561 8.561 8.442 0.119 18712 6848 1 11 . 1 1 135 135 ARG N N 135 123.484 123.484 121.563 1.921 18712 6849 1 11 . 1 1 135 135 ARG HA H 135 4.503 4.503 4.356 0.147 18712 6850 1 11 . 1 1 135 135 ARG CA C 135 55.468 55.468 55.721 -0.253 18712 6851 1 11 . 1 1 135 135 ARG CB C 135 32.266 32.266 30.993 1.273 18712 6852 1 11 . 1 1 135 135 ARG H H 135 8.596 8.596 8.314 0.282 18712 6853 1 11 . 1 1 136 136 LYS N N 136 123.906 123.906 119.746 4.160 18712 6854 1 11 . 1 1 136 136 LYS HA H 136 4.467 4.467 4.571 -0.104 18712 6855 1 11 . 1 1 136 136 LYS CA C 136 56.172 56.172 55.341 0.831 18712 6856 1 11 . 1 1 136 136 LYS CB C 136 32.969 32.969 33.133 -0.163 18712 6857 1 11 . 1 1 136 136 LYS H H 136 8.608 8.608 8.227 0.381 18712 6858 1 11 . 1 1 137 137 ILE N N 137 123.571 123.571 118.831 4.740 18712 6859 1 11 . 1 1 137 137 ILE HA H 137 4.184 4.184 4.042 0.142 18712 6860 1 11 . 1 1 137 137 ILE CA C 137 61.093 61.093 61.843 -0.750 18712 6861 1 11 . 1 1 137 137 ILE CB C 137 38.594 38.594 38.349 0.246 18712 6862 1 11 . 1 1 137 137 ILE H H 137 8.353 8.353 8.250 0.103 18712 6863 1 11 . 1 1 138 138 SER N N 138 119.547 119.547 118.693 0.854 18712 6864 1 11 . 1 1 138 138 SER HA H 138 4.503 4.503 4.529 -0.026 18712 6865 1 11 . 1 1 138 138 SER CA C 138 58.281 58.281 58.714 -0.433 18712 6866 1 11 . 1 1 138 138 SER CB C 138 63.906 63.906 63.122 0.784 18712 6867 1 11 . 1 1 138 138 SER H H 138 8.410 8.410 8.336 0.074 18712 6868 1 11 . 1 1 139 139 GLU N N 139 123.281 123.281 127.153 -3.872 18712 6869 1 11 . 1 1 139 139 GLU HA H 139 4.307 4.307 4.406 -0.099 18712 6870 1 11 . 1 1 139 139 GLU CA C 139 56.875 56.875 56.539 0.336 18712 6871 1 11 . 1 1 139 139 GLU CB C 139 30.156 30.156 30.790 -0.634 18712 6872 1 11 . 1 1 139 139 GLU H H 139 8.489 8.489 8.535 -0.046 18712 6873 1 11 . 1 1 140 140 GLY N N 140 109.792 109.792 114.204 -4.412 18712 6874 1 11 . 1 1 140 140 GLY CA C 140 45.625 45.625 45.531 0.094 18712 6875 1 11 . 1 1 140 140 GLY H H 140 8.418 8.418 8.620 -0.202 18712 6876 1 12 . 1 1 4 4 VAL N N 4 119.125 119.125 120.933 -1.808 18712 6877 1 12 . 1 1 4 4 VAL HA H 4 4.070 4.070 4.435 -0.365 18712 6878 1 12 . 1 1 4 4 VAL CA C 4 62.500 62.500 61.604 0.896 18712 6879 1 12 . 1 1 4 4 VAL CB C 4 32.969 32.969 32.985 -0.016 18712 6880 1 12 . 1 1 4 4 VAL H H 4 7.998 7.998 8.205 -0.207 18712 6881 1 12 . 1 1 5 5 TYR N N 5 122.640 122.640 122.040 0.600 18712 6882 1 12 . 1 1 5 5 TYR HA H 5 4.674 4.674 4.962 -0.288 18712 6883 1 12 . 1 1 5 5 TYR CA C 5 58.281 58.281 56.813 1.468 18712 6884 1 12 . 1 1 5 5 TYR CB C 5 38.594 38.594 39.855 -1.261 18712 6885 1 12 . 1 1 5 5 TYR H H 5 8.305 8.305 7.784 0.521 18712 6886 1 12 . 1 1 6 6 THR N N 6 114.861 114.861 115.442 -0.581 18712 6887 1 12 . 1 1 6 6 THR HA H 6 4.548 4.548 4.543 0.005 18712 6888 1 12 . 1 1 6 6 THR CA C 6 61.796 61.796 60.953 0.843 18712 6889 1 12 . 1 1 6 6 THR CB C 6 70.234 70.234 70.391 -0.157 18712 6890 1 12 . 1 1 6 6 THR H H 6 8.003 8.003 8.389 -0.386 18712 6891 1 12 . 1 1 7 7 SER N N 7 118.140 118.140 119.677 -1.537 18712 6892 1 12 . 1 1 7 7 SER HA H 7 4.600 4.600 4.708 -0.108 18712 6893 1 12 . 1 1 7 7 SER CA C 7 57.578 57.578 57.500 0.078 18712 6894 1 12 . 1 1 7 7 SER CB C 7 64.609 64.609 64.337 0.272 18712 6895 1 12 . 1 1 7 7 SER H H 7 8.487 8.487 8.312 0.175 18712 6896 1 12 . 1 1 8 8 ILE N N 8 121.375 121.375 121.840 -0.465 18712 6897 1 12 . 1 1 8 8 ILE HA H 8 4.627 4.627 4.096 0.531 18712 6898 1 12 . 1 1 8 8 ILE CA C 8 60.390 60.390 61.796 -1.406 18712 6899 1 12 . 1 1 8 8 ILE CB C 8 40.000 40.000 38.075 1.925 18712 6900 1 12 . 1 1 8 8 ILE H H 8 8.139 8.139 8.078 0.061 18712 6901 1 12 . 1 1 9 9 HIS N N 9 125.734 125.734 125.386 0.348 18712 6902 1 12 . 1 1 9 9 HIS HA H 9 4.768 4.768 4.696 0.072 18712 6903 1 12 . 1 1 9 9 HIS CB C 9 32.617 32.617 31.990 0.627 18712 6904 1 12 . 1 1 9 9 HIS H H 9 8.743 8.743 8.684 0.059 18712 6905 1 12 . 1 1 10 10 ILE N N 10 125.875 125.875 122.092 3.783 18712 6906 1 12 . 1 1 10 10 ILE HA H 10 4.806 4.806 4.552 0.254 18712 6907 1 12 . 1 1 10 10 ILE CB C 10 39.297 39.297 38.607 0.690 18712 6908 1 12 . 1 1 10 10 ILE H H 10 8.035 8.035 8.342 -0.307 18712 6909 1 12 . 1 1 11 11 GLU N N 11 129.438 129.438 127.607 1.831 18712 6910 1 12 . 1 1 11 11 GLU HA H 11 4.472 4.472 4.373 0.099 18712 6911 1 12 . 1 1 11 11 GLU CA C 11 54.062 54.062 55.652 -1.590 18712 6912 1 12 . 1 1 11 11 GLU CB C 11 32.617 32.617 31.638 0.979 18712 6913 1 12 . 1 1 11 11 GLU H H 11 8.934 8.934 8.806 0.128 18712 6914 1 12 . 1 1 12 12 GLU N N 12 123.983 123.983 121.667 2.316 18712 6915 1 12 . 1 1 12 12 GLU HA H 12 4.752 4.752 4.679 0.073 18712 6916 1 12 . 1 1 12 12 GLU CA C 12 54.062 54.062 55.410 -1.348 18712 6917 1 12 . 1 1 12 12 GLU CB C 12 32.617 32.617 31.452 1.165 18712 6918 1 12 . 1 1 12 12 GLU H H 12 8.192 8.192 8.282 -0.090 18712 6919 1 12 . 1 1 13 13 TYR N N 13 122.826 122.826 124.867 -2.041 18712 6920 1 12 . 1 1 13 13 TYR HA H 13 4.741 4.741 4.682 0.059 18712 6921 1 12 . 1 1 13 13 TYR CB C 13 42.812 42.812 41.667 1.145 18712 6922 1 12 . 1 1 13 13 TYR H H 13 8.926 8.926 8.146 0.780 18712 6923 1 12 . 1 1 14 14 GLU N N 14 119.329 119.329 121.308 -1.979 18712 6924 1 12 . 1 1 14 14 GLU HA H 14 5.647 5.647 4.785 0.862 18712 6925 1 12 . 1 1 14 14 GLU CA C 14 54.765 54.765 55.199 -0.434 18712 6926 1 12 . 1 1 14 14 GLU CB C 14 34.375 34.375 32.939 1.436 18712 6927 1 12 . 1 1 14 14 GLU H H 14 8.716 8.716 8.643 0.073 18712 6928 1 12 . 1 1 15 15 SER N N 15 116.172 116.172 116.514 -0.342 18712 6929 1 12 . 1 1 15 15 SER HA H 15 4.616 4.616 4.798 -0.182 18712 6930 1 12 . 1 1 15 15 SER CA C 15 57.578 57.578 58.351 -0.773 18712 6931 1 12 . 1 1 15 15 SER CB C 15 66.015 66.015 65.189 0.826 18712 6932 1 12 . 1 1 15 15 SER H H 15 8.922 8.922 8.216 0.706 18712 6933 1 12 . 1 1 16 16 GLU N N 16 125.172 125.172 123.262 1.910 18712 6934 1 12 . 1 1 16 16 GLU HA H 16 5.082 5.082 4.883 0.199 18712 6935 1 12 . 1 1 16 16 GLU CA C 16 54.062 54.062 54.773 -0.711 18712 6936 1 12 . 1 1 16 16 GLU CB C 16 32.969 32.969 32.959 0.010 18712 6937 1 12 . 1 1 16 16 GLU H H 16 8.587 8.587 8.465 0.122 18712 6938 1 12 . 1 1 17 17 ALA N N 17 124.890 124.890 127.801 -2.911 18712 6939 1 12 . 1 1 17 17 ALA HA H 17 4.969 4.969 4.417 0.552 18712 6940 1 12 . 1 1 17 17 ALA CA C 17 50.547 50.547 51.720 -1.173 18712 6941 1 12 . 1 1 17 17 ALA CB C 17 19.610 19.610 18.959 0.651 18712 6942 1 12 . 1 1 17 17 ALA H H 17 9.000 9.000 8.493 0.507 18712 6943 1 12 . 1 1 18 18 ARG N N 18 125.376 125.376 124.855 0.521 18712 6944 1 12 . 1 1 18 18 ARG HA H 18 5.175 5.175 5.000 0.175 18712 6945 1 12 . 1 1 18 18 ARG CA C 18 54.765 54.765 55.100 -0.335 18712 6946 1 12 . 1 1 18 18 ARG CB C 18 34.375 34.375 31.432 2.943 18712 6947 1 12 . 1 1 18 18 ARG H H 18 9.624 9.624 7.977 1.647 18712 6948 1 12 . 1 1 19 19 ASP N N 19 119.828 119.828 123.518 -3.690 18712 6949 1 12 . 1 1 19 19 ASP HA H 19 4.685 4.685 4.534 0.151 18712 6950 1 12 . 1 1 19 19 ASP CA C 19 55.117 55.117 54.343 0.774 18712 6951 1 12 . 1 1 19 19 ASP CB C 19 41.406 41.406 41.194 0.212 18712 6952 1 12 . 1 1 19 19 ASP H H 19 8.420 8.420 8.556 -0.136 18712 6953 1 12 . 1 1 20 20 THR N N 20 112.948 112.948 114.251 -1.303 18712 6954 1 12 . 1 1 20 20 THR HA H 20 4.979 4.979 4.321 0.658 18712 6955 1 12 . 1 1 20 20 THR CA C 20 60.390 60.390 61.048 -0.658 18712 6956 1 12 . 1 1 20 20 THR CB C 20 73.046 73.046 70.231 2.815 18712 6957 1 12 . 1 1 20 20 THR H H 20 7.602 7.602 8.152 -0.550 18712 6958 1 12 . 1 1 21 21 LYS HA H 21 4.146 4.146 4.323 -0.177 18712 6959 1 12 . 1 1 21 21 LYS CA C 21 58.984 58.984 57.294 1.690 18712 6960 1 12 . 1 1 21 21 LYS CB C 21 32.266 32.266 31.563 0.703 18712 6961 1 12 . 1 1 22 22 LEU N N 22 117.346 117.346 120.234 -2.888 18712 6962 1 12 . 1 1 22 22 LEU HA H 22 4.532 4.532 4.420 0.112 18712 6963 1 12 . 1 1 22 22 LEU CA C 22 54.062 54.062 54.504 -0.442 18712 6964 1 12 . 1 1 22 22 LEU CB C 22 42.812 42.812 41.796 1.016 18712 6965 1 12 . 1 1 22 22 LEU H H 22 7.848 7.848 7.382 0.466 18712 6966 1 12 . 1 1 23 23 GLY N N 23 108.437 108.437 109.511 -1.074 18712 6967 1 12 . 1 1 23 23 GLY CA C 23 43.516 43.516 44.419 -0.902 18712 6968 1 12 . 1 1 23 23 GLY H H 23 7.407 7.407 7.399 0.008 18712 6969 1 12 . 1 1 24 24 PRO HA H 24 4.894 4.894 4.568 0.326 18712 6970 1 12 . 1 1 24 24 PRO CA C 24 63.906 63.906 62.731 1.175 18712 6971 1 12 . 1 1 24 24 PRO CB C 24 31.563 31.563 32.877 -1.314 18712 6972 1 12 . 1 1 25 25 GLU N N 25 118.281 118.281 118.302 -0.021 18712 6973 1 12 . 1 1 25 25 GLU HA H 25 4.621 4.621 4.385 0.236 18712 6974 1 12 . 1 1 25 25 GLU CA C 25 56.523 56.523 56.519 0.004 18712 6975 1 12 . 1 1 25 25 GLU CB C 25 32.266 32.266 30.631 1.635 18712 6976 1 12 . 1 1 25 25 GLU H H 25 8.341 8.341 8.578 -0.237 18712 6977 1 12 . 1 1 26 26 GLU N N 26 119.406 119.406 120.314 -0.908 18712 6978 1 12 . 1 1 26 26 GLU HA H 26 4.710 4.710 4.463 0.247 18712 6979 1 12 . 1 1 26 26 GLU CA C 26 54.765 54.765 55.763 -0.998 18712 6980 1 12 . 1 1 26 26 GLU CB C 26 33.672 33.672 30.931 2.741 18712 6981 1 12 . 1 1 26 26 GLU H H 26 8.336 8.336 7.818 0.518 18712 6982 1 12 . 1 1 27 27 ILE N N 27 127.472 127.472 123.083 4.389 18712 6983 1 12 . 1 1 27 27 ILE HA H 27 5.009 5.009 4.135 0.874 18712 6984 1 12 . 1 1 27 27 ILE CA C 27 60.390 60.390 61.745 -1.355 18712 6985 1 12 . 1 1 27 27 ILE CB C 27 37.187 37.187 38.765 -1.578 18712 6986 1 12 . 1 1 27 27 ILE H H 27 8.405 8.405 8.401 0.004 18712 6987 1 12 . 1 1 28 28 THR N N 28 124.387 124.387 119.692 4.695 18712 6988 1 12 . 1 1 28 28 THR HA H 28 4.492 4.492 4.603 -0.111 18712 6989 1 12 . 1 1 28 28 THR CA C 28 59.687 59.687 60.815 -1.128 18712 6990 1 12 . 1 1 28 28 THR CB C 28 68.125 68.125 71.012 -2.887 18712 6991 1 12 . 1 1 28 28 THR H H 28 8.191 8.191 8.375 -0.184 18712 6992 1 12 . 1 1 29 29 ARG N N 29 120.568 120.568 121.197 -0.629 18712 6993 1 12 . 1 1 29 29 ARG HA H 29 4.202 4.202 4.711 -0.509 18712 6994 1 12 . 1 1 29 29 ARG CA C 29 55.468 55.468 54.821 0.647 18712 6995 1 12 . 1 1 29 29 ARG CB C 29 32.266 32.266 31.676 0.590 18712 6996 1 12 . 1 1 29 29 ARG H H 29 7.995 7.995 8.376 -0.381 18712 6997 1 12 . 1 1 30 30 ASP N N 30 123.906 123.906 123.277 0.629 18712 6998 1 12 . 1 1 30 30 ASP HA H 30 4.619 4.619 4.723 -0.104 18712 6999 1 12 . 1 1 30 30 ASP CA C 30 53.359 53.359 53.900 -0.541 18712 7000 1 12 . 1 1 30 30 ASP CB C 30 38.594 38.594 42.475 -3.881 18712 7001 1 12 . 1 1 30 30 ASP H H 30 8.784 8.784 8.743 0.041 18712 7002 1 12 . 1 1 31 31 ILE N N 31 123.422 123.422 123.670 -0.248 18712 7003 1 12 . 1 1 31 31 ILE HA H 31 4.063 4.063 4.540 -0.477 18712 7004 1 12 . 1 1 31 31 ILE CA C 31 57.578 57.578 56.773 0.805 18712 7005 1 12 . 1 1 31 31 ILE CB C 31 40.703 40.703 36.782 3.921 18712 7006 1 12 . 1 1 31 31 ILE H H 31 7.404 7.404 8.089 -0.685 18712 7007 1 12 . 1 1 32 32 PRO HA H 32 4.273 4.273 4.466 -0.193 18712 7008 1 12 . 1 1 32 32 PRO CA C 32 63.554 63.554 63.051 0.503 18712 7009 1 12 . 1 1 32 32 PRO CB C 32 32.266 32.266 32.226 0.040 18712 7010 1 12 . 1 1 33 33 ASN N N 33 114.027 114.027 117.109 -3.082 18712 7011 1 12 . 1 1 33 33 ASN HA H 33 4.269 4.269 4.440 -0.171 18712 7012 1 12 . 1 1 33 33 ASN CA C 33 55.117 55.117 53.741 1.376 18712 7013 1 12 . 1 1 33 33 ASN CB C 33 37.891 37.891 37.257 0.634 18712 7014 1 12 . 1 1 33 33 ASN H H 33 8.880 8.880 8.576 0.304 18712 7015 1 12 . 1 1 34 34 VAL N N 34 117.111 117.111 119.798 -2.687 18712 7016 1 12 . 1 1 34 34 VAL HA H 34 4.249 4.249 4.301 -0.052 18712 7017 1 12 . 1 1 34 34 VAL CA C 34 62.148 62.148 61.454 0.694 18712 7018 1 12 . 1 1 34 34 VAL CB C 34 33.672 33.672 33.505 0.167 18712 7019 1 12 . 1 1 34 34 VAL H H 34 7.328 7.328 7.683 -0.355 18712 7020 1 12 . 1 1 35 35 GLY N N 35 113.600 113.600 111.421 2.179 18712 7021 1 12 . 1 1 35 35 GLY CA C 35 44.219 44.219 44.320 -0.101 18712 7022 1 12 . 1 1 35 35 GLY H H 35 8.653 8.653 8.317 0.336 18712 7023 1 12 . 1 1 36 36 GLU N N 36 118.562 118.562 122.054 -3.492 18712 7024 1 12 . 1 1 36 36 GLU HA H 36 3.888 3.888 3.931 -0.043 18712 7025 1 12 . 1 1 36 36 GLU CA C 36 59.687 59.687 59.944 -0.257 18712 7026 1 12 . 1 1 36 36 GLU CB C 36 29.453 29.453 29.709 -0.256 18712 7027 1 12 . 1 1 36 36 GLU H H 36 8.457 8.457 8.811 -0.354 18712 7028 1 12 . 1 1 37 37 ASP N N 37 118.140 118.140 118.366 -0.226 18712 7029 1 12 . 1 1 37 37 ASP HA H 37 4.335 4.335 4.448 -0.113 18712 7030 1 12 . 1 1 37 37 ASP CA C 37 56.875 56.875 56.686 0.189 18712 7031 1 12 . 1 1 37 37 ASP CB C 37 40.000 40.000 40.544 -0.544 18712 7032 1 12 . 1 1 37 37 ASP H H 37 8.728 8.728 8.641 0.087 18712 7033 1 12 . 1 1 38 38 ALA N N 38 120.752 120.752 121.409 -0.657 18712 7034 1 12 . 1 1 38 38 ALA HA H 38 4.288 4.288 4.173 0.115 18712 7035 1 12 . 1 1 38 38 ALA CA C 38 53.359 53.359 54.240 -0.881 18712 7036 1 12 . 1 1 38 38 ALA CB C 38 18.555 18.555 18.973 -0.418 18712 7037 1 12 . 1 1 38 38 ALA H H 38 7.642 7.642 7.707 -0.065 18712 7038 1 12 . 1 1 39 39 LEU N N 39 117.015 117.015 112.285 4.730 18712 7039 1 12 . 1 1 39 39 LEU HA H 39 4.295 4.295 4.740 -0.445 18712 7040 1 12 . 1 1 39 39 LEU CA C 39 54.765 54.765 54.041 0.724 18712 7041 1 12 . 1 1 39 39 LEU CB C 39 43.164 43.164 41.671 1.493 18712 7042 1 12 . 1 1 39 39 LEU H H 39 7.446 7.446 7.240 0.206 18712 7043 1 12 . 1 1 40 40 ARG N N 40 118.017 118.017 119.479 -1.462 18712 7044 1 12 . 1 1 40 40 ARG HA H 40 4.064 4.064 4.099 -0.035 18712 7045 1 12 . 1 1 40 40 ARG CA C 40 59.687 59.687 58.612 1.075 18712 7046 1 12 . 1 1 40 40 ARG CB C 40 30.508 30.508 30.357 0.151 18712 7047 1 12 . 1 1 40 40 ARG H H 40 7.079 7.079 7.688 -0.609 18712 7048 1 12 . 1 1 41 41 ASN N N 41 115.439 115.439 116.718 -1.279 18712 7049 1 12 . 1 1 41 41 ASN HA H 41 4.996 4.996 4.722 0.274 18712 7050 1 12 . 1 1 41 41 ASN CA C 41 53.359 53.359 53.727 -0.368 18712 7051 1 12 . 1 1 41 41 ASN CB C 41 39.297 39.297 39.054 0.243 18712 7052 1 12 . 1 1 41 41 ASN H H 41 9.057 9.057 8.300 0.757 18712 7053 1 12 . 1 1 42 42 LEU N N 42 118.703 118.703 120.265 -1.562 18712 7054 1 12 . 1 1 42 42 LEU HA H 42 4.403 4.403 4.139 0.264 18712 7055 1 12 . 1 1 42 42 LEU CA C 42 54.062 54.062 56.520 -2.458 18712 7056 1 12 . 1 1 42 42 LEU CB C 42 42.812 42.812 42.857 -0.045 18712 7057 1 12 . 1 1 42 42 LEU H H 42 7.719 7.719 7.732 -0.013 18712 7058 1 12 . 1 1 43 43 ASP N N 43 122.791 122.791 124.394 -1.603 18712 7059 1 12 . 1 1 43 43 ASP HA H 43 4.481 4.481 4.812 -0.331 18712 7060 1 12 . 1 1 43 43 ASP CA C 43 52.656 52.656 53.076 -0.420 18712 7061 1 12 . 1 1 43 43 ASP CB C 43 39.648 39.648 42.212 -2.564 18712 7062 1 12 . 1 1 43 43 ASP H H 43 8.933 8.933 7.860 1.073 18712 7063 1 12 . 1 1 44 44 ASP N N 44 114.917 114.917 118.819 -3.902 18712 7064 1 12 . 1 1 44 44 ASP HA H 44 4.278 4.278 4.426 -0.148 18712 7065 1 12 . 1 1 44 44 ASP CA C 44 56.875 56.875 56.246 0.629 18712 7066 1 12 . 1 1 44 44 ASP CB C 44 40.000 40.000 40.833 -0.833 18712 7067 1 12 . 1 1 44 44 ASP H H 44 8.281 8.281 8.680 -0.399 18712 7068 1 12 . 1 1 45 45 ARG N N 45 118.140 118.140 116.233 1.907 18712 7069 1 12 . 1 1 45 45 ARG HA H 45 4.366 4.366 4.250 0.116 18712 7070 1 12 . 1 1 45 45 ARG CA C 45 55.117 55.117 56.215 -1.097 18712 7071 1 12 . 1 1 45 45 ARG CB C 45 30.859 30.859 30.293 0.566 18712 7072 1 12 . 1 1 45 45 ARG H H 45 8.500 8.500 8.226 0.274 18712 7073 1 12 . 1 1 46 46 GLY N N 46 101.828 101.828 107.105 -5.277 18712 7074 1 12 . 1 1 46 46 GLY CA C 46 45.273 45.273 45.143 0.130 18712 7075 1 12 . 1 1 46 46 GLY H H 46 7.680 7.680 7.805 -0.125 18712 7076 1 12 . 1 1 47 47 VAL N N 47 119.955 119.955 119.372 0.583 18712 7077 1 12 . 1 1 47 47 VAL HA H 47 4.406 4.406 4.351 0.055 18712 7078 1 12 . 1 1 47 47 VAL CA C 47 61.796 61.796 59.112 2.684 18712 7079 1 12 . 1 1 47 47 VAL CB C 47 33.672 33.672 34.116 -0.444 18712 7080 1 12 . 1 1 47 47 VAL H H 47 8.007 8.007 7.349 0.658 18712 7081 1 12 . 1 1 48 48 ILE N N 48 128.406 128.406 127.342 1.064 18712 7082 1 12 . 1 1 48 48 ILE HA H 48 4.202 4.202 3.976 0.226 18712 7083 1 12 . 1 1 48 48 ILE CA C 48 59.687 59.687 61.127 -1.440 18712 7084 1 12 . 1 1 48 48 ILE CB C 48 38.945 38.945 36.463 2.482 18712 7085 1 12 . 1 1 48 48 ILE H H 48 8.145 8.145 8.193 -0.048 18712 7086 1 12 . 1 1 49 49 ARG N N 49 123.765 123.765 126.412 -2.647 18712 7087 1 12 . 1 1 49 49 ARG HA H 49 4.328 4.328 4.270 0.058 18712 7088 1 12 . 1 1 49 49 ARG CA C 49 56.875 56.875 55.927 0.948 18712 7089 1 12 . 1 1 49 49 ARG CB C 49 31.563 31.563 31.641 -0.078 18712 7090 1 12 . 1 1 49 49 ARG H H 49 7.447 7.447 8.101 -0.654 18712 7091 1 12 . 1 1 50 50 ILE N N 50 121.094 121.094 120.571 0.523 18712 7092 1 12 . 1 1 50 50 ILE HA H 50 3.414 3.414 3.705 -0.291 18712 7093 1 12 . 1 1 50 50 ILE CA C 50 64.609 64.609 61.758 2.851 18712 7094 1 12 . 1 1 50 50 ILE H H 50 8.284 8.284 8.173 0.111 18712 7095 1 12 . 1 1 51 51 GLY N N 51 115.791 115.791 113.242 2.549 18712 7096 1 12 . 1 1 51 51 GLY CA C 51 44.922 44.922 45.189 -0.267 18712 7097 1 12 . 1 1 51 51 GLY H H 51 8.679 8.679 8.869 -0.190 18712 7098 1 12 . 1 1 52 52 ALA N N 52 122.065 122.065 122.979 -0.914 18712 7099 1 12 . 1 1 52 52 ALA HA H 52 4.246 4.246 4.587 -0.341 18712 7100 1 12 . 1 1 52 52 ALA CA C 52 52.656 52.656 50.751 1.905 18712 7101 1 12 . 1 1 52 52 ALA CB C 52 18.906 18.906 20.316 -1.410 18712 7102 1 12 . 1 1 52 52 ALA H H 52 7.496 7.496 7.531 -0.035 18712 7103 1 12 . 1 1 53 53 GLU N N 53 121.468 121.468 123.415 -1.947 18712 7104 1 12 . 1 1 53 53 GLU HA H 53 4.892 4.892 4.177 0.715 18712 7105 1 12 . 1 1 53 53 GLU CB C 53 30.508 30.508 30.303 0.205 18712 7106 1 12 . 1 1 53 53 GLU H H 53 8.427 8.427 8.624 -0.197 18712 7107 1 12 . 1 1 54 54 VAL N N 54 117.437 117.437 124.597 -7.160 18712 7108 1 12 . 1 1 54 54 VAL HA H 54 4.979 4.979 4.078 0.901 18712 7109 1 12 . 1 1 54 54 VAL CA C 54 58.632 58.632 60.718 -2.087 18712 7110 1 12 . 1 1 54 54 VAL CB C 54 35.781 35.781 33.265 2.516 18712 7111 1 12 . 1 1 54 54 VAL H H 54 9.002 9.002 8.129 0.873 18712 7112 1 12 . 1 1 55 55 LYS N N 55 123.906 123.906 123.221 0.685 18712 7113 1 12 . 1 1 55 55 LYS HA H 55 4.698 4.698 4.417 0.281 18712 7114 1 12 . 1 1 55 55 LYS CA C 55 53.359 53.359 54.653 -1.294 18712 7115 1 12 . 1 1 55 55 LYS CB C 55 35.781 35.781 34.418 1.363 18712 7116 1 12 . 1 1 55 55 LYS H H 55 9.244 9.244 7.776 1.468 18712 7117 1 12 . 1 1 56 56 ASP N N 56 118.562 118.562 121.198 -2.636 18712 7118 1 12 . 1 1 56 56 ASP HA H 56 3.764 3.764 4.377 -0.613 18712 7119 1 12 . 1 1 56 56 ASP CA C 56 56.172 56.172 56.777 -0.605 18712 7120 1 12 . 1 1 56 56 ASP CB C 56 40.000 40.000 40.944 -0.944 18712 7121 1 12 . 1 1 56 56 ASP H H 56 8.176 8.176 8.764 -0.588 18712 7122 1 12 . 1 1 57 57 GLY N N 57 112.515 112.515 112.890 -0.375 18712 7123 1 12 . 1 1 57 57 GLY CA C 57 45.625 45.625 45.359 0.266 18712 7124 1 12 . 1 1 57 57 GLY H H 57 8.841 8.841 8.759 0.082 18712 7125 1 12 . 1 1 58 58 ASP N N 58 121.375 121.375 121.746 -0.371 18712 7126 1 12 . 1 1 58 58 ASP HA H 58 4.532 4.532 4.877 -0.345 18712 7127 1 12 . 1 1 58 58 ASP CA C 58 54.765 54.765 52.342 2.423 18712 7128 1 12 . 1 1 58 58 ASP CB C 58 41.055 41.055 40.425 0.631 18712 7129 1 12 . 1 1 58 58 ASP H H 58 8.209 8.209 7.837 0.372 18712 7130 1 12 . 1 1 59 59 LEU N N 59 119.828 119.828 122.999 -3.171 18712 7131 1 12 . 1 1 59 59 LEU HA H 59 3.976 3.976 4.182 -0.206 18712 7132 1 12 . 1 1 59 59 LEU CA C 59 56.875 56.875 55.865 1.010 18712 7133 1 12 . 1 1 59 59 LEU CB C 59 44.219 44.219 42.566 1.653 18712 7134 1 12 . 1 1 59 59 LEU H H 59 8.570 8.570 8.150 0.420 18712 7135 1 12 . 1 1 60 60 LEU N N 60 116.594 116.594 113.088 3.506 18712 7136 1 12 . 1 1 60 60 LEU HA H 60 4.518 4.518 3.942 0.576 18712 7137 1 12 . 1 1 60 60 LEU CB C 60 44.922 44.922 39.712 5.210 18712 7138 1 12 . 1 1 60 60 LEU H H 60 8.816 8.816 7.740 1.076 18712 7139 1 12 . 1 1 61 61 VAL N N 61 115.656 115.656 116.681 -1.025 18712 7140 1 12 . 1 1 61 61 VAL HA H 61 4.618 4.618 4.238 0.380 18712 7141 1 12 . 1 1 61 61 VAL CA C 61 61.093 61.093 61.016 0.077 18712 7142 1 12 . 1 1 61 61 VAL CB C 61 36.484 36.484 35.655 0.829 18712 7143 1 12 . 1 1 61 61 VAL H H 61 7.322 7.322 7.406 -0.084 18712 7144 1 12 . 1 1 62 62 GLY N N 62 117.191 117.191 112.993 4.198 18712 7145 1 12 . 1 1 62 62 GLY CA C 62 45.625 45.625 44.538 1.087 18712 7146 1 12 . 1 1 62 62 GLY H H 62 9.563 9.563 8.450 1.113 18712 7147 1 12 . 1 1 63 63 LYS N N 63 127.584 127.584 127.708 -0.124 18712 7148 1 12 . 1 1 63 63 LYS HA H 63 5.328 5.328 4.756 0.572 18712 7149 1 12 . 1 1 63 63 LYS CA C 63 56.172 56.172 55.759 0.413 18712 7150 1 12 . 1 1 63 63 LYS CB C 63 35.078 35.078 35.721 -0.643 18712 7151 1 12 . 1 1 63 63 LYS H H 63 8.712 8.712 8.001 0.711 18712 7152 1 12 . 1 1 64 64 VAL N N 64 114.383 114.383 119.767 -5.384 18712 7153 1 12 . 1 1 64 64 VAL HA H 64 5.523 5.523 4.877 0.646 18712 7154 1 12 . 1 1 64 64 VAL CA C 64 57.578 57.578 60.313 -2.735 18712 7155 1 12 . 1 1 64 64 VAL CB C 64 35.781 35.781 35.888 -0.107 18712 7156 1 12 . 1 1 64 64 VAL H H 64 8.481 8.481 7.940 0.541 18712 7157 1 12 . 1 1 65 65 THR N N 65 118.431 118.431 111.827 6.604 18712 7158 1 12 . 1 1 65 65 THR HA H 65 4.602 4.602 4.892 -0.290 18712 7159 1 12 . 1 1 65 65 THR CA C 65 59.687 59.687 58.932 0.755 18712 7160 1 12 . 1 1 65 65 THR CB C 65 72.343 72.343 70.090 2.253 18712 7161 1 12 . 1 1 65 65 THR H H 65 8.637 8.637 7.967 0.670 18712 7162 1 12 . 1 1 66 66 PRO HA H 66 4.557 4.557 4.504 0.053 18712 7163 1 12 . 1 1 66 66 PRO CA C 66 63.906 63.906 62.587 1.319 18712 7164 1 12 . 1 1 66 66 PRO CB C 66 32.969 32.969 32.314 0.655 18712 7165 1 12 . 1 1 67 67 LYS N N 67 122.359 122.359 123.237 -0.878 18712 7166 1 12 . 1 1 67 67 LYS HA H 67 4.391 4.391 4.461 -0.070 18712 7167 1 12 . 1 1 67 67 LYS CA C 67 56.172 56.172 55.228 0.944 18712 7168 1 12 . 1 1 67 67 LYS CB C 67 35.078 35.078 33.899 1.179 18712 7169 1 12 . 1 1 67 67 LYS H H 67 8.371 8.371 8.726 -0.355 18712 7170 1 12 . 1 1 68 68 GLY N N 68 109.563 109.563 106.755 2.808 18712 7171 1 12 . 1 1 68 68 GLY CA C 68 44.922 44.922 44.134 0.788 18712 7172 1 12 . 1 1 68 68 GLY H H 68 8.583 8.583 8.223 0.360 18712 7173 1 12 . 1 1 69 69 VAL N N 69 118.378 118.378 118.561 -0.183 18712 7174 1 12 . 1 1 69 69 VAL HA H 69 4.032 4.032 4.068 -0.036 18712 7175 1 12 . 1 1 69 69 VAL CA C 69 63.203 63.203 64.466 -1.263 18712 7176 1 12 . 1 1 69 69 VAL CB C 69 32.266 32.266 32.439 -0.173 18712 7177 1 12 . 1 1 69 69 VAL H H 69 8.235 8.235 8.476 -0.241 18712 7178 1 12 . 1 1 70 70 THR N N 70 114.484 114.484 116.892 -2.408 18712 7179 1 12 . 1 1 70 70 THR HA H 70 4.281 4.281 4.136 0.145 18712 7180 1 12 . 1 1 70 70 THR CA C 70 62.500 62.500 64.802 -2.302 18712 7181 1 12 . 1 1 70 70 THR CB C 70 69.531 69.531 68.862 0.669 18712 7182 1 12 . 1 1 70 70 THR H H 70 8.085 8.085 7.967 0.118 18712 7183 1 12 . 1 1 71 71 GLU N N 71 121.656 121.656 120.135 1.521 18712 7184 1 12 . 1 1 71 71 GLU HA H 71 4.325 4.325 4.504 -0.179 18712 7185 1 12 . 1 1 71 71 GLU CA C 71 56.172 56.172 55.701 0.471 18712 7186 1 12 . 1 1 71 71 GLU CB C 71 30.859 30.859 28.646 2.213 18712 7187 1 12 . 1 1 71 71 GLU H H 71 8.175 8.175 8.288 -0.113 18712 7188 1 12 . 1 1 72 72 LEU N N 72 122.219 122.219 121.193 1.026 18712 7189 1 12 . 1 1 72 72 LEU HA H 72 4.534 4.534 4.537 -0.003 18712 7190 1 12 . 1 1 72 72 LEU CA C 72 54.765 54.765 53.492 1.273 18712 7191 1 12 . 1 1 72 72 LEU CB C 72 42.812 42.812 44.747 -1.935 18712 7192 1 12 . 1 1 72 72 LEU H H 72 7.770 7.770 7.576 0.194 18712 7193 1 12 . 1 1 73 73 THR N N 73 114.407 114.407 111.080 3.327 18712 7194 1 12 . 1 1 73 73 THR HA H 73 4.405 4.405 4.495 -0.090 18712 7195 1 12 . 1 1 73 73 THR CA C 73 61.093 61.093 59.999 1.093 18712 7196 1 12 . 1 1 73 73 THR CB C 73 70.937 70.937 70.960 -0.023 18712 7197 1 12 . 1 1 73 73 THR H H 73 8.869 8.869 8.041 0.828 18712 7198 1 12 . 1 1 74 74 ALA N N 74 123.782 123.782 125.771 -1.989 18712 7199 1 12 . 1 1 74 74 ALA HA H 74 4.026 4.026 4.051 -0.025 18712 7200 1 12 . 1 1 74 74 ALA CA C 74 55.468 55.468 54.772 0.696 18712 7201 1 12 . 1 1 74 74 ALA CB C 74 18.203 18.203 18.479 -0.276 18712 7202 1 12 . 1 1 74 74 ALA H H 74 8.831 8.831 8.836 -0.005 18712 7203 1 12 . 1 1 75 75 GLU N N 75 117.578 117.578 118.307 -0.729 18712 7204 1 12 . 1 1 75 75 GLU HA H 75 4.043 4.043 4.032 0.011 18712 7205 1 12 . 1 1 75 75 GLU CA C 75 59.687 59.687 59.665 0.022 18712 7206 1 12 . 1 1 75 75 GLU CB C 75 29.453 29.453 29.221 0.232 18712 7207 1 12 . 1 1 75 75 GLU H H 75 8.637 8.637 8.795 -0.158 18712 7208 1 12 . 1 1 76 76 GLU N N 76 120.042 120.042 117.459 2.583 18712 7209 1 12 . 1 1 76 76 GLU HA H 76 4.010 4.010 4.106 -0.096 18712 7210 1 12 . 1 1 76 76 GLU CA C 76 58.281 58.281 58.747 -0.466 18712 7211 1 12 . 1 1 76 76 GLU CB C 76 30.859 30.859 29.247 1.612 18712 7212 1 12 . 1 1 76 76 GLU H H 76 7.847 7.847 7.692 0.155 18712 7213 1 12 . 1 1 77 77 ARG N N 77 119.687 119.687 118.585 1.102 18712 7214 1 12 . 1 1 77 77 ARG HA H 77 3.975 3.975 4.173 -0.198 18712 7215 1 12 . 1 1 77 77 ARG CA C 77 58.984 58.984 58.756 0.228 18712 7216 1 12 . 1 1 77 77 ARG CB C 77 30.156 30.156 30.262 -0.107 18712 7217 1 12 . 1 1 77 77 ARG H H 77 8.452 8.452 7.423 1.029 18712 7218 1 12 . 1 1 78 78 LEU N N 78 120.250 120.250 119.210 1.040 18712 7219 1 12 . 1 1 78 78 LEU HA H 78 4.210 4.210 4.308 -0.098 18712 7220 1 12 . 1 1 78 78 LEU CA C 78 56.875 56.875 57.578 -0.703 18712 7221 1 12 . 1 1 78 78 LEU CB C 78 42.109 42.109 41.286 0.823 18712 7222 1 12 . 1 1 78 78 LEU H H 78 7.685 7.685 7.769 -0.084 18712 7223 1 12 . 1 1 79 79 LEU N N 79 119.265 119.265 119.686 -0.421 18712 7224 1 12 . 1 1 79 79 LEU HA H 79 4.208 4.208 3.976 0.232 18712 7225 1 12 . 1 1 79 79 LEU CA C 79 56.875 56.875 57.955 -1.080 18712 7226 1 12 . 1 1 79 79 LEU CB C 79 42.109 42.109 41.188 0.921 18712 7227 1 12 . 1 1 79 79 LEU H H 79 7.679 7.679 8.318 -0.639 18712 7228 1 12 . 1 1 80 80 HIS N N 80 118.348 118.348 119.111 -0.763 18712 7229 1 12 . 1 1 80 80 HIS HA H 80 4.422 4.422 4.298 0.124 18712 7230 1 12 . 1 1 80 80 HIS CA C 80 57.578 57.578 59.389 -1.811 18712 7231 1 12 . 1 1 80 80 HIS CB C 80 30.156 30.156 30.186 -0.030 18712 7232 1 12 . 1 1 80 80 HIS H H 80 8.127 8.127 7.650 0.477 18712 7233 1 12 . 1 1 81 81 ALA N N 81 122.359 122.359 119.845 2.514 18712 7234 1 12 . 1 1 81 81 ALA HA H 81 4.204 4.204 4.101 0.103 18712 7235 1 12 . 1 1 81 81 ALA CA C 81 54.062 54.062 53.763 0.299 18712 7236 1 12 . 1 1 81 81 ALA CB C 81 18.906 18.906 18.402 0.504 18712 7237 1 12 . 1 1 81 81 ALA H H 81 7.908 7.908 7.749 0.159 18712 7238 1 12 . 1 1 82 82 ILE N N 82 117.705 117.705 118.233 -0.528 18712 7239 1 12 . 1 1 82 82 ILE HA H 82 3.972 3.972 3.775 0.197 18712 7240 1 12 . 1 1 82 82 ILE CA C 82 62.500 62.500 63.733 -1.232 18712 7241 1 12 . 1 1 82 82 ILE CB C 82 38.594 38.594 38.100 0.494 18712 7242 1 12 . 1 1 82 82 ILE H H 82 7.780 7.780 7.196 0.584 18712 7243 1 12 . 1 1 83 83 PHE N N 83 120.528 120.528 118.257 2.271 18712 7244 1 12 . 1 1 83 83 PHE HA H 83 4.633 4.633 4.327 0.306 18712 7245 1 12 . 1 1 83 83 PHE CA C 83 58.281 58.281 59.611 -1.330 18712 7246 1 12 . 1 1 83 83 PHE CB C 83 40.000 40.000 39.994 0.006 18712 7247 1 12 . 1 1 83 83 PHE H H 83 8.227 8.227 8.051 0.176 18712 7248 1 12 . 1 1 84 84 GLY N N 84 110.328 110.328 107.331 2.997 18712 7249 1 12 . 1 1 84 84 GLY CA C 84 45.625 45.625 45.380 0.245 18712 7250 1 12 . 1 1 84 84 GLY H H 84 8.157 8.157 7.925 0.232 18712 7251 1 12 . 1 1 85 85 GLU N N 85 120.975 120.975 115.679 5.296 18712 7252 1 12 . 1 1 85 85 GLU HA H 85 4.234 4.234 4.542 -0.308 18712 7253 1 12 . 1 1 85 85 GLU CA C 85 57.226 57.226 54.436 2.790 18712 7254 1 12 . 1 1 85 85 GLU CB C 85 30.156 30.156 31.731 -1.575 18712 7255 1 12 . 1 1 85 85 GLU H H 85 8.374 8.374 7.456 0.918 18712 7256 1 12 . 1 1 86 86 LYS N N 86 121.202 121.202 122.574 -1.372 18712 7257 1 12 . 1 1 86 86 LYS HA H 86 4.291 4.291 4.439 -0.148 18712 7258 1 12 . 1 1 86 86 LYS CA C 86 56.172 56.172 56.610 -0.438 18712 7259 1 12 . 1 1 86 86 LYS CB C 86 32.969 32.969 32.224 0.745 18712 7260 1 12 . 1 1 86 86 LYS H H 86 8.230 8.230 8.643 -0.413 18712 7261 1 12 . 1 1 87 87 ALA N N 87 124.596 124.596 126.357 -1.761 18712 7262 1 12 . 1 1 87 87 ALA HA H 87 4.236 4.236 4.496 -0.260 18712 7263 1 12 . 1 1 87 87 ALA CA C 87 52.656 52.656 51.511 1.145 18712 7264 1 12 . 1 1 87 87 ALA CB C 87 19.610 19.610 20.757 -1.147 18712 7265 1 12 . 1 1 87 87 ALA H H 87 8.179 8.179 8.339 -0.160 18712 7266 1 12 . 1 1 88 88 ARG N N 88 120.688 120.688 121.068 -0.380 18712 7267 1 12 . 1 1 88 88 ARG HA H 88 4.344 4.344 4.473 -0.129 18712 7268 1 12 . 1 1 88 88 ARG CA C 88 56.172 56.172 55.565 0.607 18712 7269 1 12 . 1 1 88 88 ARG CB C 88 30.859 30.859 30.991 -0.132 18712 7270 1 12 . 1 1 88 88 ARG H H 88 8.274 8.274 8.425 -0.151 18712 7271 1 12 . 1 1 89 89 GLU N N 89 124.469 124.469 120.937 3.532 18712 7272 1 12 . 1 1 89 89 GLU HA H 89 4.575 4.575 4.692 -0.117 18712 7273 1 12 . 1 1 89 89 GLU CA C 89 55.468 55.468 55.385 0.083 18712 7274 1 12 . 1 1 89 89 GLU CB C 89 30.156 30.156 32.160 -2.004 18712 7275 1 12 . 1 1 89 89 GLU H H 89 8.632 8.632 8.533 0.099 18712 7276 1 12 . 1 1 90 90 VAL N N 90 114.440 114.440 119.518 -5.078 18712 7277 1 12 . 1 1 90 90 VAL HA H 90 5.047 5.047 4.780 0.267 18712 7278 1 12 . 1 1 90 90 VAL CA C 90 58.984 58.984 60.325 -1.341 18712 7279 1 12 . 1 1 90 90 VAL CB C 90 36.484 36.484 35.116 1.368 18712 7280 1 12 . 1 1 90 90 VAL H H 90 8.246 8.246 8.362 -0.116 18712 7281 1 12 . 1 1 91 91 ARG N N 91 118.602 118.602 122.731 -4.129 18712 7282 1 12 . 1 1 91 91 ARG HA H 91 4.771 4.771 4.612 0.159 18712 7283 1 12 . 1 1 91 91 ARG CB C 91 33.672 33.672 33.020 0.652 18712 7284 1 12 . 1 1 91 91 ARG H H 91 9.062 9.062 8.592 0.470 18712 7285 1 12 . 1 1 92 92 ASP N N 92 121.656 121.656 123.935 -2.279 18712 7286 1 12 . 1 1 92 92 ASP HA H 92 4.754 4.754 4.640 0.114 18712 7287 1 12 . 1 1 92 92 ASP CB C 92 41.406 41.406 39.564 1.842 18712 7288 1 12 . 1 1 92 92 ASP H H 92 8.770 8.770 8.591 0.179 18712 7289 1 12 . 1 1 93 93 THR N N 93 124.654 124.654 111.108 13.546 18712 7290 1 12 . 1 1 93 93 THR HA H 93 4.586 4.586 4.441 0.145 18712 7291 1 12 . 1 1 93 93 THR CA C 93 60.390 60.390 60.705 -0.315 18712 7292 1 12 . 1 1 93 93 THR CB C 93 66.718 66.718 70.126 -3.408 18712 7293 1 12 . 1 1 93 93 THR H H 93 9.253 9.253 7.788 1.465 18712 7294 1 12 . 1 1 94 94 SER N N 94 117.437 117.437 116.295 1.142 18712 7295 1 12 . 1 1 94 94 SER HA H 94 4.455 4.455 4.433 0.022 18712 7296 1 12 . 1 1 94 94 SER CA C 94 60.390 60.390 59.079 1.311 18712 7297 1 12 . 1 1 94 94 SER CB C 94 63.906 63.906 64.058 -0.152 18712 7298 1 12 . 1 1 94 94 SER H H 94 8.564 8.564 7.537 1.027 18712 7299 1 12 . 1 1 95 95 LEU N N 95 125.594 125.594 122.246 3.348 18712 7300 1 12 . 1 1 95 95 LEU HA H 95 4.684 4.684 4.447 0.237 18712 7301 1 12 . 1 1 95 95 LEU CB C 95 43.516 43.516 43.324 0.192 18712 7302 1 12 . 1 1 95 95 LEU H H 95 8.964 8.964 8.393 0.571 18712 7303 1 12 . 1 1 96 96 ARG N N 96 128.669 128.669 123.417 5.252 18712 7304 1 12 . 1 1 96 96 ARG HA H 96 5.061 5.061 4.534 0.527 18712 7305 1 12 . 1 1 96 96 ARG CA C 96 54.062 54.062 55.473 -1.411 18712 7306 1 12 . 1 1 96 96 ARG CB C 96 34.375 34.375 30.981 3.394 18712 7307 1 12 . 1 1 96 96 ARG H H 96 8.709 8.709 8.500 0.209 18712 7308 1 12 . 1 1 97 97 VAL N N 97 121.375 121.375 126.538 -5.163 18712 7309 1 12 . 1 1 97 97 VAL HA H 97 3.386 3.386 4.465 -1.079 18712 7310 1 12 . 1 1 97 97 VAL CA C 97 61.093 61.093 58.990 2.103 18712 7311 1 12 . 1 1 97 97 VAL CB C 97 32.266 32.266 35.461 -3.195 18712 7312 1 12 . 1 1 97 97 VAL H H 97 8.745 8.745 8.409 0.336 18712 7313 1 12 . 1 1 98 98 PRO HA H 98 4.543 4.543 4.512 0.031 18712 7314 1 12 . 1 1 98 98 PRO CA C 98 62.500 62.500 62.233 0.267 18712 7315 1 12 . 1 1 98 98 PRO CB C 98 32.969 32.969 32.446 0.523 18712 7316 1 12 . 1 1 99 99 HIS N N 99 118.140 118.140 116.562 1.578 18712 7317 1 12 . 1 1 99 99 HIS HA H 99 4.272 4.272 4.563 -0.291 18712 7318 1 12 . 1 1 99 99 HIS CA C 99 58.281 58.281 56.857 1.424 18712 7319 1 12 . 1 1 99 99 HIS CB C 99 30.156 30.156 29.453 0.703 18712 7320 1 12 . 1 1 99 99 HIS H H 99 8.368 8.368 8.153 0.215 18712 7321 1 12 . 1 1 100 100 GLY N N 100 116.101 116.101 114.163 1.938 18712 7322 1 12 . 1 1 100 100 GLY CA C 100 45.625 45.625 45.412 0.213 18712 7323 1 12 . 1 1 100 100 GLY H H 100 9.411 9.411 8.878 0.533 18712 7324 1 12 . 1 1 101 101 GLY N N 101 108.798 108.798 109.615 -0.817 18712 7325 1 12 . 1 1 101 101 GLY CA C 101 45.625 45.625 45.164 0.461 18712 7326 1 12 . 1 1 101 101 GLY H H 101 8.399 8.399 7.681 0.718 18712 7327 1 12 . 1 1 102 102 GLY N N 102 105.967 105.967 107.572 -1.605 18712 7328 1 12 . 1 1 102 102 GLY CA C 102 45.625 45.625 45.523 0.102 18712 7329 1 12 . 1 1 102 102 GLY H H 102 8.310 8.310 7.693 0.617 18712 7330 1 12 . 1 1 103 103 GLY N N 103 107.574 107.574 107.332 0.242 18712 7331 1 12 . 1 1 103 103 GLY CA C 103 46.328 46.328 43.571 2.757 18712 7332 1 12 . 1 1 103 103 GLY H H 103 8.075 8.075 7.666 0.409 18712 7333 1 12 . 1 1 104 104 ILE N N 104 122.219 122.219 118.490 3.729 18712 7334 1 12 . 1 1 104 104 ILE HA H 104 5.075 5.075 4.421 0.654 18712 7335 1 12 . 1 1 104 104 ILE CA C 104 58.281 58.281 60.176 -1.895 18712 7336 1 12 . 1 1 104 104 ILE CB C 104 40.703 40.703 42.589 -1.886 18712 7337 1 12 . 1 1 104 104 ILE H H 104 8.269 8.269 7.628 0.641 18712 7338 1 12 . 1 1 105 105 ILE N N 105 124.237 124.237 124.426 -0.189 18712 7339 1 12 . 1 1 105 105 ILE HA H 105 4.312 4.312 4.295 0.017 18712 7340 1 12 . 1 1 105 105 ILE CA C 105 60.390 60.390 61.083 -0.693 18712 7341 1 12 . 1 1 105 105 ILE CB C 105 34.375 34.375 35.094 -0.719 18712 7342 1 12 . 1 1 105 105 ILE H H 105 8.965 8.965 8.380 0.585 18712 7343 1 12 . 1 1 106 106 HIS N N 106 135.053 135.053 128.824 6.229 18712 7344 1 12 . 1 1 106 106 HIS HA H 106 4.506 4.506 4.667 -0.161 18712 7345 1 12 . 1 1 106 106 HIS CA C 106 57.578 57.578 56.895 0.683 18712 7346 1 12 . 1 1 106 106 HIS CB C 106 33.672 33.672 31.778 1.894 18712 7347 1 12 . 1 1 106 106 HIS H H 106 9.604 9.604 8.532 1.072 18712 7348 1 12 . 1 1 107 107 ASP N N 107 112.528 112.528 117.556 -5.028 18712 7349 1 12 . 1 1 107 107 ASP HA H 107 4.707 4.707 4.699 0.008 18712 7350 1 12 . 1 1 107 107 ASP CB C 107 42.812 42.812 44.741 -1.929 18712 7351 1 12 . 1 1 107 107 ASP H H 107 7.930 7.930 7.768 0.162 18712 7352 1 12 . 1 1 108 108 VAL N N 108 121.656 121.656 120.241 1.415 18712 7353 1 12 . 1 1 108 108 VAL HA H 108 5.028 5.028 4.485 0.543 18712 7354 1 12 . 1 1 108 108 VAL CA C 108 61.796 61.796 61.255 0.541 18712 7355 1 12 . 1 1 108 108 VAL CB C 108 36.484 36.484 35.031 1.453 18712 7356 1 12 . 1 1 108 108 VAL H H 108 8.325 8.325 8.303 0.022 18712 7357 1 12 . 1 1 109 109 LYS N N 109 126.798 126.798 127.689 -0.891 18712 7358 1 12 . 1 1 109 109 LYS HA H 109 4.676 4.676 4.548 0.128 18712 7359 1 12 . 1 1 109 109 LYS CB C 109 37.187 37.187 34.696 2.491 18712 7360 1 12 . 1 1 109 109 LYS H H 109 9.417 9.417 8.446 0.971 18712 7361 1 12 . 1 1 110 110 VAL N N 110 121.892 121.892 123.121 -1.229 18712 7362 1 12 . 1 1 110 110 VAL HA H 110 4.676 4.676 4.307 0.369 18712 7363 1 12 . 1 1 110 110 VAL CB C 110 33.672 33.672 33.753 -0.081 18712 7364 1 12 . 1 1 110 110 VAL H H 110 8.206 8.206 8.263 -0.057 18712 7365 1 12 . 1 1 111 111 PHE N N 111 126.578 126.578 127.441 -0.863 18712 7366 1 12 . 1 1 111 111 PHE HA H 111 4.995 4.995 4.932 0.063 18712 7367 1 12 . 1 1 111 111 PHE CA C 111 56.172 56.172 55.921 0.251 18712 7368 1 12 . 1 1 111 111 PHE CB C 111 42.109 42.109 40.991 1.118 18712 7369 1 12 . 1 1 111 111 PHE H H 111 9.459 9.459 9.116 0.343 18712 7370 1 12 . 1 1 112 112 ASN N N 112 121.797 121.797 119.598 2.199 18712 7371 1 12 . 1 1 112 112 ASN HA H 112 5.425 5.425 5.091 0.334 18712 7372 1 12 . 1 1 112 112 ASN CA C 112 52.656 52.656 51.753 0.903 18712 7373 1 12 . 1 1 112 112 ASN CB C 112 42.109 42.109 41.156 0.953 18712 7374 1 12 . 1 1 112 112 ASN H H 112 10.663 10.663 8.586 2.077 18712 7375 1 12 . 1 1 113 113 ARG N N 113 130.516 130.516 121.201 9.315 18712 7376 1 12 . 1 1 113 113 ARG HA H 113 4.435 4.435 4.353 0.082 18712 7377 1 12 . 1 1 113 113 ARG CA C 113 59.687 59.687 58.689 0.998 18712 7378 1 12 . 1 1 113 113 ARG CB C 113 30.859 30.859 29.804 1.055 18712 7379 1 12 . 1 1 113 113 ARG H H 113 9.138 9.138 8.891 0.247 18712 7380 1 12 . 1 1 114 114 GLU N N 114 119.008 119.008 118.639 0.369 18712 7381 1 12 . 1 1 114 114 GLU HA H 114 4.142 4.142 4.085 0.057 18712 7382 1 12 . 1 1 114 114 GLU CA C 114 58.281 58.281 58.376 -0.095 18712 7383 1 12 . 1 1 114 114 GLU CB C 114 29.453 29.453 29.106 0.347 18712 7384 1 12 . 1 1 114 114 GLU H H 114 8.924 8.924 7.961 0.963 18712 7385 1 12 . 1 1 115 115 ASP N N 115 116.593 116.593 117.562 -0.969 18712 7386 1 12 . 1 1 115 115 ASP HA H 115 4.869 4.869 4.563 0.306 18712 7387 1 12 . 1 1 115 115 ASP CA C 115 54.062 54.062 54.421 -0.359 18712 7388 1 12 . 1 1 115 115 ASP CB C 115 42.109 42.109 41.449 0.660 18712 7389 1 12 . 1 1 115 115 ASP H H 115 7.356 7.356 7.838 -0.482 18712 7390 1 12 . 1 1 116 116 GLY N N 116 106.689 106.689 107.249 -0.560 18712 7391 1 12 . 1 1 116 116 GLY CA C 116 44.922 44.922 44.548 0.374 18712 7392 1 12 . 1 1 116 116 GLY H H 116 7.918 7.918 7.577 0.341 18712 7393 1 12 . 1 1 117 117 ASP N N 117 119.329 119.329 121.463 -2.134 18712 7394 1 12 . 1 1 117 117 ASP HA H 117 4.632 4.632 4.655 -0.023 18712 7395 1 12 . 1 1 117 117 ASP CA C 117 55.468 55.468 53.632 1.836 18712 7396 1 12 . 1 1 117 117 ASP CB C 117 41.406 41.406 42.040 -0.634 18712 7397 1 12 . 1 1 117 117 ASP H H 117 7.220 7.220 7.839 -0.619 18712 7398 1 12 . 1 1 118 118 GLU N N 118 123.484 123.484 124.660 -1.176 18712 7399 1 12 . 1 1 118 118 GLU HA H 118 4.240 4.240 4.425 -0.185 18712 7400 1 12 . 1 1 118 118 GLU CA C 118 56.875 56.875 56.350 0.525 18712 7401 1 12 . 1 1 118 118 GLU CB C 118 29.453 29.453 30.792 -1.339 18712 7402 1 12 . 1 1 118 118 GLU H H 118 8.626 8.626 8.535 0.091 18712 7403 1 12 . 1 1 119 119 LEU N N 119 129.139 129.139 125.098 4.041 18712 7404 1 12 . 1 1 119 119 LEU HA H 119 4.759 4.759 4.692 0.067 18712 7405 1 12 . 1 1 119 119 LEU CB C 119 44.219 44.219 43.618 0.601 18712 7406 1 12 . 1 1 119 119 LEU H H 119 8.106 8.106 8.169 -0.063 18712 7407 1 12 . 1 1 120 120 PRO CB C 120 31.914 31.914 31.113 0.801 18712 7408 1 12 . 1 1 121 121 PRO HA H 121 4.269 4.269 4.333 -0.064 18712 7409 1 12 . 1 1 121 121 PRO CA C 121 63.906 63.906 63.741 0.165 18712 7410 1 12 . 1 1 121 121 PRO CB C 121 31.563 31.563 31.080 0.483 18712 7411 1 12 . 1 1 122 122 GLY N N 122 112.656 112.656 111.757 0.899 18712 7412 1 12 . 1 1 122 122 GLY CA C 122 45.625 45.625 44.964 0.661 18712 7413 1 12 . 1 1 122 122 GLY H H 122 8.827 8.827 8.739 0.088 18712 7414 1 12 . 1 1 123 123 VAL N N 123 119.406 119.406 119.684 -0.278 18712 7415 1 12 . 1 1 123 123 VAL HA H 123 4.017 4.017 4.604 -0.587 18712 7416 1 12 . 1 1 123 123 VAL CA C 123 62.851 62.851 61.532 1.319 18712 7417 1 12 . 1 1 123 123 VAL CB C 123 32.266 32.266 33.176 -0.910 18712 7418 1 12 . 1 1 123 123 VAL H H 123 7.845 7.845 7.460 0.385 18712 7419 1 12 . 1 1 124 124 ASN N N 124 124.609 124.609 120.034 4.575 18712 7420 1 12 . 1 1 124 124 ASN HA H 124 4.877 4.877 4.893 -0.016 18712 7421 1 12 . 1 1 124 124 ASN CA C 124 54.765 54.765 53.063 1.702 18712 7422 1 12 . 1 1 124 124 ASN CB C 124 40.000 40.000 41.457 -1.457 18712 7423 1 12 . 1 1 124 124 ASN H H 124 9.206 9.206 8.677 0.529 18712 7424 1 12 . 1 1 125 125 GLN N N 125 117.959 117.959 114.907 3.052 18712 7425 1 12 . 1 1 125 125 GLN HA H 125 5.234 5.234 4.646 0.588 18712 7426 1 12 . 1 1 125 125 GLN CA C 125 56.172 56.172 55.170 1.002 18712 7427 1 12 . 1 1 125 125 GLN CB C 125 33.672 33.672 32.907 0.764 18712 7428 1 12 . 1 1 125 125 GLN H H 125 7.756 7.756 7.612 0.144 18712 7429 1 12 . 1 1 126 126 LEU N N 126 125.559 125.559 122.152 3.407 18712 7430 1 12 . 1 1 126 126 LEU HA H 126 5.261 5.261 5.001 0.260 18712 7431 1 12 . 1 1 126 126 LEU CA C 126 54.765 54.765 54.852 -0.087 18712 7432 1 12 . 1 1 126 126 LEU CB C 126 47.734 47.734 46.127 1.607 18712 7433 1 12 . 1 1 126 126 LEU H H 126 8.866 8.866 8.275 0.591 18712 7434 1 12 . 1 1 127 127 VAL N N 127 126.578 126.578 125.710 0.868 18712 7435 1 12 . 1 1 127 127 VAL HA H 127 5.127 5.127 4.754 0.373 18712 7436 1 12 . 1 1 127 127 VAL CA C 127 60.390 60.390 60.075 0.315 18712 7437 1 12 . 1 1 127 127 VAL CB C 127 35.078 35.078 35.636 -0.558 18712 7438 1 12 . 1 1 127 127 VAL H H 127 9.367 9.367 8.983 0.384 18712 7439 1 12 . 1 1 128 128 ARG N N 128 126.578 126.578 124.978 1.600 18712 7440 1 12 . 1 1 128 128 ARG HA H 128 5.259 5.259 5.150 0.109 18712 7441 1 12 . 1 1 128 128 ARG CA C 128 54.765 54.765 54.080 0.685 18712 7442 1 12 . 1 1 128 128 ARG CB C 128 33.672 33.672 34.714 -1.042 18712 7443 1 12 . 1 1 128 128 ARG H H 128 9.502 9.502 8.944 0.558 18712 7444 1 12 . 1 1 129 129 VAL N N 129 123.977 123.977 119.467 4.510 18712 7445 1 12 . 1 1 129 129 VAL HA H 129 4.489 4.489 4.430 0.059 18712 7446 1 12 . 1 1 129 129 VAL CA C 129 61.093 61.093 61.531 -0.438 18712 7447 1 12 . 1 1 129 129 VAL CB C 129 35.078 35.078 34.401 0.677 18712 7448 1 12 . 1 1 129 129 VAL H H 129 9.051 9.051 8.154 0.897 18712 7449 1 12 . 1 1 130 130 TYR N N 130 124.673 124.673 123.565 1.108 18712 7450 1 12 . 1 1 130 130 TYR HA H 130 5.419 5.419 5.080 0.339 18712 7451 1 12 . 1 1 130 130 TYR CA C 130 56.172 56.172 56.685 -0.513 18712 7452 1 12 . 1 1 130 130 TYR CB C 130 39.297 39.297 40.139 -0.842 18712 7453 1 12 . 1 1 130 130 TYR H H 130 8.650 8.650 8.463 0.187 18712 7454 1 12 . 1 1 131 131 ILE N N 131 125.227 125.227 123.623 1.604 18712 7455 1 12 . 1 1 131 131 ILE HA H 131 4.869 4.869 4.720 0.149 18712 7456 1 12 . 1 1 131 131 ILE CB C 131 40.000 40.000 41.951 -1.951 18712 7457 1 12 . 1 1 131 131 ILE H H 131 9.509 9.509 8.955 0.554 18712 7458 1 12 . 1 1 132 132 VAL N N 132 126.859 126.859 123.753 3.106 18712 7459 1 12 . 1 1 132 132 VAL HA H 132 4.729 4.729 5.016 -0.287 18712 7460 1 12 . 1 1 132 132 VAL CA C 132 61.093 61.093 60.185 0.908 18712 7461 1 12 . 1 1 132 132 VAL CB C 132 33.672 33.672 32.780 0.892 18712 7462 1 12 . 1 1 132 132 VAL H H 132 9.606 9.606 7.954 1.652 18712 7463 1 12 . 1 1 133 133 GLN N N 133 128.406 128.406 127.405 1.001 18712 7464 1 12 . 1 1 133 133 GLN HA H 133 4.751 4.751 4.358 0.393 18712 7465 1 12 . 1 1 133 133 GLN CA C 133 54.765 54.765 56.026 -1.260 18712 7466 1 12 . 1 1 133 133 GLN CB C 133 31.563 31.563 29.478 2.085 18712 7467 1 12 . 1 1 133 133 GLN H H 133 9.153 9.153 8.190 0.963 18712 7468 1 12 . 1 1 134 134 LYS N N 134 122.929 122.929 123.499 -0.570 18712 7469 1 12 . 1 1 134 134 LYS HA H 134 4.725 4.725 4.463 0.262 18712 7470 1 12 . 1 1 134 134 LYS CA C 134 56.172 56.172 55.444 0.728 18712 7471 1 12 . 1 1 134 134 LYS CB C 134 33.320 33.320 33.856 -0.536 18712 7472 1 12 . 1 1 134 134 LYS H H 134 8.561 8.561 8.000 0.561 18712 7473 1 12 . 1 1 135 135 ARG N N 135 123.484 123.484 123.209 0.275 18712 7474 1 12 . 1 1 135 135 ARG HA H 135 4.503 4.503 4.470 0.033 18712 7475 1 12 . 1 1 135 135 ARG CA C 135 55.468 55.468 55.543 -0.075 18712 7476 1 12 . 1 1 135 135 ARG CB C 135 32.266 32.266 31.464 0.802 18712 7477 1 12 . 1 1 135 135 ARG H H 135 8.596 8.596 8.397 0.199 18712 7478 1 12 . 1 1 136 136 LYS N N 136 123.906 123.906 119.371 4.535 18712 7479 1 12 . 1 1 136 136 LYS HA H 136 4.467 4.467 4.536 -0.069 18712 7480 1 12 . 1 1 136 136 LYS CA C 136 56.172 56.172 55.257 0.915 18712 7481 1 12 . 1 1 136 136 LYS CB C 136 32.969 32.969 34.016 -1.046 18712 7482 1 12 . 1 1 136 136 LYS H H 136 8.608 8.608 8.206 0.402 18712 7483 1 12 . 1 1 137 137 ILE N N 137 123.571 123.571 118.987 4.584 18712 7484 1 12 . 1 1 137 137 ILE HA H 137 4.184 4.184 4.017 0.167 18712 7485 1 12 . 1 1 137 137 ILE CA C 137 61.093 61.093 61.572 -0.479 18712 7486 1 12 . 1 1 137 137 ILE CB C 137 38.594 38.594 38.477 0.117 18712 7487 1 12 . 1 1 137 137 ILE H H 137 8.353 8.353 8.262 0.091 18712 7488 1 12 . 1 1 138 138 SER N N 138 119.547 119.547 118.041 1.506 18712 7489 1 12 . 1 1 138 138 SER HA H 138 4.503 4.503 4.322 0.181 18712 7490 1 12 . 1 1 138 138 SER CA C 138 58.281 58.281 58.517 -0.236 18712 7491 1 12 . 1 1 138 138 SER CB C 138 63.906 63.906 63.383 0.523 18712 7492 1 12 . 1 1 138 138 SER H H 138 8.410 8.410 8.263 0.147 18712 7493 1 12 . 1 1 139 139 GLU N N 139 123.281 123.281 128.057 -4.776 18712 7494 1 12 . 1 1 139 139 GLU HA H 139 4.307 4.307 4.402 -0.095 18712 7495 1 12 . 1 1 139 139 GLU CA C 139 56.875 56.875 56.811 0.064 18712 7496 1 12 . 1 1 139 139 GLU CB C 139 30.156 30.156 30.200 -0.044 18712 7497 1 12 . 1 1 139 139 GLU H H 139 8.489 8.489 8.695 -0.206 18712 7498 1 12 . 1 1 140 140 GLY N N 140 109.792 109.792 114.643 -4.851 18712 7499 1 12 . 1 1 140 140 GLY CA C 140 45.625 45.625 44.937 0.688 18712 7500 1 12 . 1 1 140 140 GLY H H 140 8.418 8.418 8.856 -0.438 18712 7501 1 13 . 1 1 4 4 VAL N N 4 119.125 119.125 123.671 -4.546 18712 7502 1 13 . 1 1 4 4 VAL HA H 4 4.070 4.070 4.540 -0.470 18712 7503 1 13 . 1 1 4 4 VAL CA C 4 62.500 62.500 61.133 1.367 18712 7504 1 13 . 1 1 4 4 VAL CB C 4 32.969 32.969 34.418 -1.449 18712 7505 1 13 . 1 1 4 4 VAL H H 4 7.998 7.998 8.137 -0.139 18712 7506 1 13 . 1 1 5 5 TYR N N 5 122.640 122.640 122.335 0.305 18712 7507 1 13 . 1 1 5 5 TYR HA H 5 4.674 4.674 5.068 -0.394 18712 7508 1 13 . 1 1 5 5 TYR CA C 5 58.281 58.281 56.334 1.948 18712 7509 1 13 . 1 1 5 5 TYR CB C 5 38.594 38.594 39.880 -1.286 18712 7510 1 13 . 1 1 5 5 TYR H H 5 8.305 8.305 8.259 0.046 18712 7511 1 13 . 1 1 6 6 THR N N 6 114.861 114.861 115.336 -0.475 18712 7512 1 13 . 1 1 6 6 THR HA H 6 4.548 4.548 4.432 0.116 18712 7513 1 13 . 1 1 6 6 THR CA C 6 61.796 61.796 60.022 1.774 18712 7514 1 13 . 1 1 6 6 THR CB C 6 70.234 70.234 69.441 0.793 18712 7515 1 13 . 1 1 6 6 THR H H 6 8.003 8.003 8.235 -0.232 18712 7516 1 13 . 1 1 7 7 SER N N 7 118.140 118.140 118.462 -0.322 18712 7517 1 13 . 1 1 7 7 SER HA H 7 4.600 4.600 4.855 -0.255 18712 7518 1 13 . 1 1 7 7 SER CA C 7 57.578 57.578 57.847 -0.269 18712 7519 1 13 . 1 1 7 7 SER CB C 7 64.609 64.609 64.120 0.489 18712 7520 1 13 . 1 1 7 7 SER H H 7 8.487 8.487 8.217 0.270 18712 7521 1 13 . 1 1 8 8 ILE N N 8 121.375 121.375 120.656 0.719 18712 7522 1 13 . 1 1 8 8 ILE HA H 8 4.627 4.627 4.308 0.319 18712 7523 1 13 . 1 1 8 8 ILE CA C 8 60.390 60.390 61.233 -0.843 18712 7524 1 13 . 1 1 8 8 ILE CB C 8 40.000 40.000 38.337 1.663 18712 7525 1 13 . 1 1 8 8 ILE H H 8 8.139 8.139 8.259 -0.120 18712 7526 1 13 . 1 1 9 9 HIS N N 9 125.734 125.734 127.076 -1.342 18712 7527 1 13 . 1 1 9 9 HIS HA H 9 4.768 4.768 4.985 -0.217 18712 7528 1 13 . 1 1 9 9 HIS CB C 9 32.617 32.617 32.749 -0.132 18712 7529 1 13 . 1 1 9 9 HIS H H 9 8.743 8.743 8.709 0.034 18712 7530 1 13 . 1 1 10 10 ILE N N 10 125.875 125.875 120.138 5.737 18712 7531 1 13 . 1 1 10 10 ILE HA H 10 4.806 4.806 4.580 0.226 18712 7532 1 13 . 1 1 10 10 ILE CB C 10 39.297 39.297 42.315 -3.018 18712 7533 1 13 . 1 1 10 10 ILE H H 10 8.035 8.035 8.498 -0.463 18712 7534 1 13 . 1 1 11 11 GLU N N 11 129.438 129.438 126.179 3.259 18712 7535 1 13 . 1 1 11 11 GLU HA H 11 4.472 4.472 4.326 0.146 18712 7536 1 13 . 1 1 11 11 GLU CA C 11 54.062 54.062 55.203 -1.141 18712 7537 1 13 . 1 1 11 11 GLU CB C 11 32.617 32.617 30.989 1.627 18712 7538 1 13 . 1 1 11 11 GLU H H 11 8.934 8.934 8.930 0.004 18712 7539 1 13 . 1 1 12 12 GLU N N 12 123.983 123.983 120.301 3.682 18712 7540 1 13 . 1 1 12 12 GLU HA H 12 4.752 4.752 4.322 0.430 18712 7541 1 13 . 1 1 12 12 GLU CA C 12 54.062 54.062 55.478 -1.416 18712 7542 1 13 . 1 1 12 12 GLU CB C 12 32.617 32.617 30.463 2.154 18712 7543 1 13 . 1 1 12 12 GLU H H 12 8.192 8.192 8.188 0.004 18712 7544 1 13 . 1 1 13 13 TYR N N 13 122.826 122.826 123.353 -0.527 18712 7545 1 13 . 1 1 13 13 TYR HA H 13 4.741 4.741 4.710 0.031 18712 7546 1 13 . 1 1 13 13 TYR CB C 13 42.812 42.812 41.219 1.593 18712 7547 1 13 . 1 1 13 13 TYR H H 13 8.926 8.926 8.473 0.453 18712 7548 1 13 . 1 1 14 14 GLU N N 14 119.329 119.329 124.165 -4.836 18712 7549 1 13 . 1 1 14 14 GLU HA H 14 5.647 5.647 4.637 1.010 18712 7550 1 13 . 1 1 14 14 GLU CA C 14 54.765 54.765 55.188 -0.423 18712 7551 1 13 . 1 1 14 14 GLU CB C 14 34.375 34.375 32.759 1.616 18712 7552 1 13 . 1 1 14 14 GLU H H 14 8.716 8.716 8.695 0.021 18712 7553 1 13 . 1 1 15 15 SER N N 15 116.172 116.172 117.386 -1.214 18712 7554 1 13 . 1 1 15 15 SER HA H 15 4.616 4.616 4.673 -0.057 18712 7555 1 13 . 1 1 15 15 SER CA C 15 57.578 57.578 58.239 -0.661 18712 7556 1 13 . 1 1 15 15 SER CB C 15 66.015 66.015 64.175 1.839 18712 7557 1 13 . 1 1 15 15 SER H H 15 8.922 8.922 8.082 0.840 18712 7558 1 13 . 1 1 16 16 GLU N N 16 125.172 125.172 125.027 0.145 18712 7559 1 13 . 1 1 16 16 GLU HA H 16 5.082 5.082 4.751 0.331 18712 7560 1 13 . 1 1 16 16 GLU CA C 16 54.062 54.062 54.571 -0.509 18712 7561 1 13 . 1 1 16 16 GLU CB C 16 32.969 32.969 33.786 -0.817 18712 7562 1 13 . 1 1 16 16 GLU H H 16 8.587 8.587 8.312 0.275 18712 7563 1 13 . 1 1 17 17 ALA N N 17 124.890 124.890 127.564 -2.674 18712 7564 1 13 . 1 1 17 17 ALA HA H 17 4.969 4.969 4.352 0.617 18712 7565 1 13 . 1 1 17 17 ALA CA C 17 50.547 50.547 51.959 -1.412 18712 7566 1 13 . 1 1 17 17 ALA CB C 17 19.610 19.610 19.027 0.583 18712 7567 1 13 . 1 1 17 17 ALA H H 17 9.000 9.000 8.455 0.545 18712 7568 1 13 . 1 1 18 18 ARG N N 18 125.376 125.376 124.493 0.883 18712 7569 1 13 . 1 1 18 18 ARG HA H 18 5.175 5.175 4.995 0.180 18712 7570 1 13 . 1 1 18 18 ARG CA C 18 54.765 54.765 55.072 -0.307 18712 7571 1 13 . 1 1 18 18 ARG CB C 18 34.375 34.375 31.604 2.771 18712 7572 1 13 . 1 1 18 18 ARG H H 18 9.624 9.624 7.953 1.671 18712 7573 1 13 . 1 1 19 19 ASP N N 19 119.828 119.828 122.495 -2.667 18712 7574 1 13 . 1 1 19 19 ASP HA H 19 4.685 4.685 4.564 0.121 18712 7575 1 13 . 1 1 19 19 ASP CA C 19 55.117 55.117 54.276 0.841 18712 7576 1 13 . 1 1 19 19 ASP CB C 19 41.406 41.406 41.106 0.300 18712 7577 1 13 . 1 1 19 19 ASP H H 19 8.420 8.420 8.576 -0.156 18712 7578 1 13 . 1 1 20 20 THR N N 20 112.948 112.948 114.083 -1.135 18712 7579 1 13 . 1 1 20 20 THR HA H 20 4.979 4.979 4.369 0.610 18712 7580 1 13 . 1 1 20 20 THR CA C 20 60.390 60.390 60.236 0.154 18712 7581 1 13 . 1 1 20 20 THR CB C 20 73.046 73.046 69.680 3.366 18712 7582 1 13 . 1 1 20 20 THR H H 20 7.602 7.602 8.136 -0.534 18712 7583 1 13 . 1 1 21 21 LYS HA H 21 4.146 4.146 4.410 -0.264 18712 7584 1 13 . 1 1 21 21 LYS CA C 21 58.984 58.984 57.747 1.237 18712 7585 1 13 . 1 1 21 21 LYS CB C 21 32.266 32.266 31.670 0.596 18712 7586 1 13 . 1 1 22 22 LEU N N 22 117.346 117.346 120.627 -3.281 18712 7587 1 13 . 1 1 22 22 LEU HA H 22 4.532 4.532 4.472 0.060 18712 7588 1 13 . 1 1 22 22 LEU CA C 22 54.062 54.062 54.507 -0.445 18712 7589 1 13 . 1 1 22 22 LEU CB C 22 42.812 42.812 41.766 1.046 18712 7590 1 13 . 1 1 22 22 LEU H H 22 7.848 7.848 7.381 0.467 18712 7591 1 13 . 1 1 23 23 GLY N N 23 108.437 108.437 109.540 -1.103 18712 7592 1 13 . 1 1 23 23 GLY CA C 23 43.516 43.516 44.413 -0.897 18712 7593 1 13 . 1 1 23 23 GLY H H 23 7.407 7.407 7.404 0.003 18712 7594 1 13 . 1 1 24 24 PRO HA H 24 4.894 4.894 4.606 0.288 18712 7595 1 13 . 1 1 24 24 PRO CA C 24 63.906 63.906 62.407 1.499 18712 7596 1 13 . 1 1 24 24 PRO CB C 24 31.563 31.563 33.404 -1.841 18712 7597 1 13 . 1 1 25 25 GLU N N 25 118.281 118.281 118.534 -0.253 18712 7598 1 13 . 1 1 25 25 GLU HA H 25 4.621 4.621 4.390 0.231 18712 7599 1 13 . 1 1 25 25 GLU CA C 25 56.523 56.523 57.258 -0.736 18712 7600 1 13 . 1 1 25 25 GLU CB C 25 32.266 32.266 31.390 0.876 18712 7601 1 13 . 1 1 25 25 GLU H H 25 8.341 8.341 8.990 -0.649 18712 7602 1 13 . 1 1 26 26 GLU N N 26 119.406 119.406 119.122 0.284 18712 7603 1 13 . 1 1 26 26 GLU HA H 26 4.710 4.710 4.525 0.185 18712 7604 1 13 . 1 1 26 26 GLU CA C 26 54.765 54.765 55.787 -1.022 18712 7605 1 13 . 1 1 26 26 GLU CB C 26 33.672 33.672 30.652 3.019 18712 7606 1 13 . 1 1 26 26 GLU H H 26 8.336 8.336 7.794 0.542 18712 7607 1 13 . 1 1 27 27 ILE N N 27 127.472 127.472 122.103 5.369 18712 7608 1 13 . 1 1 27 27 ILE HA H 27 5.009 5.009 4.266 0.743 18712 7609 1 13 . 1 1 27 27 ILE CA C 27 60.390 60.390 61.437 -1.047 18712 7610 1 13 . 1 1 27 27 ILE CB C 27 37.187 37.187 38.951 -1.764 18712 7611 1 13 . 1 1 27 27 ILE H H 27 8.405 8.405 8.555 -0.150 18712 7612 1 13 . 1 1 28 28 THR N N 28 124.387 124.387 121.294 3.093 18712 7613 1 13 . 1 1 28 28 THR HA H 28 4.492 4.492 4.609 -0.117 18712 7614 1 13 . 1 1 28 28 THR CA C 28 59.687 59.687 60.709 -1.022 18712 7615 1 13 . 1 1 28 28 THR CB C 28 68.125 68.125 70.758 -2.633 18712 7616 1 13 . 1 1 28 28 THR H H 28 8.191 8.191 8.357 -0.166 18712 7617 1 13 . 1 1 29 29 ARG N N 29 120.568 120.568 120.146 0.422 18712 7618 1 13 . 1 1 29 29 ARG HA H 29 4.202 4.202 4.667 -0.465 18712 7619 1 13 . 1 1 29 29 ARG CA C 29 55.468 55.468 55.251 0.217 18712 7620 1 13 . 1 1 29 29 ARG CB C 29 32.266 32.266 31.444 0.822 18712 7621 1 13 . 1 1 29 29 ARG H H 29 7.995 7.995 8.391 -0.396 18712 7622 1 13 . 1 1 30 30 ASP N N 30 123.906 123.906 123.526 0.380 18712 7623 1 13 . 1 1 30 30 ASP HA H 30 4.619 4.619 4.725 -0.106 18712 7624 1 13 . 1 1 30 30 ASP CA C 30 53.359 53.359 53.838 -0.479 18712 7625 1 13 . 1 1 30 30 ASP CB C 30 38.594 38.594 42.629 -4.035 18712 7626 1 13 . 1 1 30 30 ASP H H 30 8.784 8.784 8.720 0.064 18712 7627 1 13 . 1 1 31 31 ILE N N 31 123.422 123.422 123.407 0.015 18712 7628 1 13 . 1 1 31 31 ILE HA H 31 4.063 4.063 4.510 -0.447 18712 7629 1 13 . 1 1 31 31 ILE CA C 31 57.578 57.578 56.605 0.973 18712 7630 1 13 . 1 1 31 31 ILE CB C 31 40.703 40.703 36.697 4.006 18712 7631 1 13 . 1 1 31 31 ILE H H 31 7.404 7.404 8.102 -0.698 18712 7632 1 13 . 1 1 32 32 PRO HA H 32 4.273 4.273 4.570 -0.297 18712 7633 1 13 . 1 1 32 32 PRO CA C 32 63.554 63.554 62.993 0.561 18712 7634 1 13 . 1 1 32 32 PRO CB C 32 32.266 32.266 32.461 -0.195 18712 7635 1 13 . 1 1 33 33 ASN N N 33 114.027 114.027 113.813 0.214 18712 7636 1 13 . 1 1 33 33 ASN HA H 33 4.269 4.269 4.303 -0.034 18712 7637 1 13 . 1 1 33 33 ASN CA C 33 55.117 55.117 54.227 0.890 18712 7638 1 13 . 1 1 33 33 ASN CB C 33 37.891 37.891 37.280 0.611 18712 7639 1 13 . 1 1 33 33 ASN H H 33 8.880 8.880 8.745 0.135 18712 7640 1 13 . 1 1 34 34 VAL N N 34 117.111 117.111 119.132 -2.021 18712 7641 1 13 . 1 1 34 34 VAL HA H 34 4.249 4.249 4.260 -0.011 18712 7642 1 13 . 1 1 34 34 VAL CA C 34 62.148 62.148 61.478 0.670 18712 7643 1 13 . 1 1 34 34 VAL CB C 34 33.672 33.672 33.852 -0.180 18712 7644 1 13 . 1 1 34 34 VAL H H 34 7.328 7.328 7.430 -0.102 18712 7645 1 13 . 1 1 35 35 GLY N N 35 113.600 113.600 112.337 1.263 18712 7646 1 13 . 1 1 35 35 GLY CA C 35 44.219 44.219 44.370 -0.150 18712 7647 1 13 . 1 1 35 35 GLY H H 35 8.653 8.653 8.330 0.323 18712 7648 1 13 . 1 1 36 36 GLU N N 36 118.562 118.562 121.011 -2.449 18712 7649 1 13 . 1 1 36 36 GLU HA H 36 3.888 3.888 4.016 -0.128 18712 7650 1 13 . 1 1 36 36 GLU CA C 36 59.687 59.687 58.419 1.268 18712 7651 1 13 . 1 1 36 36 GLU CB C 36 29.453 29.453 29.659 -0.206 18712 7652 1 13 . 1 1 36 36 GLU H H 36 8.457 8.457 8.857 -0.400 18712 7653 1 13 . 1 1 37 37 ASP N N 37 118.140 118.140 121.082 -2.942 18712 7654 1 13 . 1 1 37 37 ASP HA H 37 4.335 4.335 4.440 -0.105 18712 7655 1 13 . 1 1 37 37 ASP CA C 37 56.875 56.875 57.193 -0.318 18712 7656 1 13 . 1 1 37 37 ASP CB C 37 40.000 40.000 40.072 -0.072 18712 7657 1 13 . 1 1 37 37 ASP H H 37 8.728 8.728 8.716 0.012 18712 7658 1 13 . 1 1 38 38 ALA N N 38 120.752 120.752 120.011 0.741 18712 7659 1 13 . 1 1 38 38 ALA HA H 38 4.288 4.288 4.138 0.150 18712 7660 1 13 . 1 1 38 38 ALA CA C 38 53.359 53.359 54.408 -1.049 18712 7661 1 13 . 1 1 38 38 ALA CB C 38 18.555 18.555 18.966 -0.411 18712 7662 1 13 . 1 1 38 38 ALA H H 38 7.642 7.642 7.584 0.058 18712 7663 1 13 . 1 1 39 39 LEU N N 39 117.015 117.015 111.580 5.435 18712 7664 1 13 . 1 1 39 39 LEU HA H 39 4.295 4.295 4.798 -0.503 18712 7665 1 13 . 1 1 39 39 LEU CA C 39 54.765 54.765 53.558 1.207 18712 7666 1 13 . 1 1 39 39 LEU CB C 39 43.164 43.164 41.303 1.861 18712 7667 1 13 . 1 1 39 39 LEU H H 39 7.446 7.446 7.332 0.114 18712 7668 1 13 . 1 1 40 40 ARG N N 40 118.017 118.017 121.621 -3.604 18712 7669 1 13 . 1 1 40 40 ARG HA H 40 4.064 4.064 3.963 0.101 18712 7670 1 13 . 1 1 40 40 ARG CA C 40 59.687 59.687 59.208 0.479 18712 7671 1 13 . 1 1 40 40 ARG CB C 40 30.508 30.508 29.541 0.967 18712 7672 1 13 . 1 1 40 40 ARG H H 40 7.079 7.079 7.966 -0.887 18712 7673 1 13 . 1 1 41 41 ASN N N 41 115.439 115.439 116.477 -1.038 18712 7674 1 13 . 1 1 41 41 ASN HA H 41 4.996 4.996 4.714 0.282 18712 7675 1 13 . 1 1 41 41 ASN CA C 41 53.359 53.359 54.073 -0.714 18712 7676 1 13 . 1 1 41 41 ASN CB C 41 39.297 39.297 38.713 0.584 18712 7677 1 13 . 1 1 41 41 ASN H H 41 9.057 9.057 8.419 0.638 18712 7678 1 13 . 1 1 42 42 LEU N N 42 118.703 118.703 120.524 -1.821 18712 7679 1 13 . 1 1 42 42 LEU HA H 42 4.403 4.403 3.999 0.404 18712 7680 1 13 . 1 1 42 42 LEU CA C 42 54.062 54.062 56.645 -2.583 18712 7681 1 13 . 1 1 42 42 LEU CB C 42 42.812 42.812 42.681 0.131 18712 7682 1 13 . 1 1 42 42 LEU H H 42 7.719 7.719 7.421 0.298 18712 7683 1 13 . 1 1 43 43 ASP N N 43 122.791 122.791 122.118 0.673 18712 7684 1 13 . 1 1 43 43 ASP HA H 43 4.481 4.481 4.851 -0.370 18712 7685 1 13 . 1 1 43 43 ASP CA C 43 52.656 52.656 52.952 -0.296 18712 7686 1 13 . 1 1 43 43 ASP CB C 43 39.648 39.648 42.534 -2.886 18712 7687 1 13 . 1 1 43 43 ASP H H 43 8.933 8.933 8.089 0.844 18712 7688 1 13 . 1 1 44 44 ASP N N 44 114.917 114.917 119.964 -5.047 18712 7689 1 13 . 1 1 44 44 ASP HA H 44 4.278 4.278 4.473 -0.195 18712 7690 1 13 . 1 1 44 44 ASP CA C 44 56.875 56.875 56.858 0.017 18712 7691 1 13 . 1 1 44 44 ASP CB C 44 40.000 40.000 40.484 -0.484 18712 7692 1 13 . 1 1 44 44 ASP H H 44 8.281 8.281 8.907 -0.626 18712 7693 1 13 . 1 1 45 45 ARG N N 45 118.140 118.140 116.990 1.150 18712 7694 1 13 . 1 1 45 45 ARG HA H 45 4.366 4.366 4.244 0.122 18712 7695 1 13 . 1 1 45 45 ARG CA C 45 55.117 55.117 56.489 -1.372 18712 7696 1 13 . 1 1 45 45 ARG CB C 45 30.859 30.859 29.840 1.020 18712 7697 1 13 . 1 1 45 45 ARG H H 45 8.500 8.500 8.135 0.365 18712 7698 1 13 . 1 1 46 46 GLY N N 46 101.828 101.828 108.528 -6.700 18712 7699 1 13 . 1 1 46 46 GLY CA C 46 45.273 45.273 45.401 -0.128 18712 7700 1 13 . 1 1 46 46 GLY H H 46 7.680 7.680 8.275 -0.595 18712 7701 1 13 . 1 1 47 47 VAL N N 47 119.955 119.955 118.123 1.832 18712 7702 1 13 . 1 1 47 47 VAL HA H 47 4.406 4.406 4.291 0.115 18712 7703 1 13 . 1 1 47 47 VAL CA C 47 61.796 61.796 59.638 2.158 18712 7704 1 13 . 1 1 47 47 VAL CB C 47 33.672 33.672 35.229 -1.557 18712 7705 1 13 . 1 1 47 47 VAL H H 47 8.007 8.007 7.240 0.767 18712 7706 1 13 . 1 1 48 48 ILE N N 48 128.406 128.406 123.449 4.957 18712 7707 1 13 . 1 1 48 48 ILE HA H 48 4.202 4.202 3.971 0.231 18712 7708 1 13 . 1 1 48 48 ILE CA C 48 59.687 59.687 60.901 -1.214 18712 7709 1 13 . 1 1 48 48 ILE CB C 48 38.945 38.945 37.085 1.860 18712 7710 1 13 . 1 1 48 48 ILE H H 48 8.145 8.145 8.395 -0.250 18712 7711 1 13 . 1 1 49 49 ARG N N 49 123.765 123.765 128.157 -4.392 18712 7712 1 13 . 1 1 49 49 ARG HA H 49 4.328 4.328 4.309 0.019 18712 7713 1 13 . 1 1 49 49 ARG CA C 49 56.875 56.875 55.538 1.337 18712 7714 1 13 . 1 1 49 49 ARG CB C 49 31.563 31.563 32.109 -0.546 18712 7715 1 13 . 1 1 49 49 ARG H H 49 7.447 7.447 7.858 -0.411 18712 7716 1 13 . 1 1 50 50 ILE N N 50 121.094 121.094 120.472 0.622 18712 7717 1 13 . 1 1 50 50 ILE HA H 50 3.414 3.414 3.742 -0.328 18712 7718 1 13 . 1 1 50 50 ILE CA C 50 64.609 64.609 63.024 1.585 18712 7719 1 13 . 1 1 50 50 ILE H H 50 8.284 8.284 8.338 -0.054 18712 7720 1 13 . 1 1 51 51 GLY N N 51 115.791 115.791 113.463 2.328 18712 7721 1 13 . 1 1 51 51 GLY CA C 51 44.922 44.922 45.017 -0.094 18712 7722 1 13 . 1 1 51 51 GLY H H 51 8.679 8.679 8.996 -0.317 18712 7723 1 13 . 1 1 52 52 ALA N N 52 122.065 122.065 124.003 -1.938 18712 7724 1 13 . 1 1 52 52 ALA HA H 52 4.246 4.246 4.669 -0.423 18712 7725 1 13 . 1 1 52 52 ALA CA C 52 52.656 52.656 50.671 1.985 18712 7726 1 13 . 1 1 52 52 ALA CB C 52 18.906 18.906 20.366 -1.460 18712 7727 1 13 . 1 1 52 52 ALA H H 52 7.496 7.496 7.467 0.029 18712 7728 1 13 . 1 1 53 53 GLU N N 53 121.468 121.468 123.707 -2.239 18712 7729 1 13 . 1 1 53 53 GLU HA H 53 4.892 4.892 4.151 0.741 18712 7730 1 13 . 1 1 53 53 GLU CB C 53 30.508 30.508 29.937 0.571 18712 7731 1 13 . 1 1 53 53 GLU H H 53 8.427 8.427 8.585 -0.158 18712 7732 1 13 . 1 1 54 54 VAL N N 54 117.437 117.437 122.846 -5.409 18712 7733 1 13 . 1 1 54 54 VAL HA H 54 4.979 4.979 4.073 0.906 18712 7734 1 13 . 1 1 54 54 VAL CA C 54 58.632 58.632 61.229 -2.597 18712 7735 1 13 . 1 1 54 54 VAL CB C 54 35.781 35.781 33.745 2.036 18712 7736 1 13 . 1 1 54 54 VAL H H 54 9.002 9.002 8.075 0.927 18712 7737 1 13 . 1 1 55 55 LYS N N 55 123.906 123.906 123.775 0.131 18712 7738 1 13 . 1 1 55 55 LYS HA H 55 4.698 4.698 4.479 0.219 18712 7739 1 13 . 1 1 55 55 LYS CA C 55 53.359 53.359 54.463 -1.104 18712 7740 1 13 . 1 1 55 55 LYS CB C 55 35.781 35.781 34.767 1.014 18712 7741 1 13 . 1 1 55 55 LYS H H 55 9.244 9.244 7.843 1.401 18712 7742 1 13 . 1 1 56 56 ASP N N 56 118.562 118.562 120.821 -2.259 18712 7743 1 13 . 1 1 56 56 ASP HA H 56 3.764 3.764 4.283 -0.519 18712 7744 1 13 . 1 1 56 56 ASP CA C 56 56.172 56.172 56.153 0.019 18712 7745 1 13 . 1 1 56 56 ASP CB C 56 40.000 40.000 40.030 -0.030 18712 7746 1 13 . 1 1 56 56 ASP H H 56 8.176 8.176 8.607 -0.431 18712 7747 1 13 . 1 1 57 57 GLY N N 57 112.515 112.515 111.945 0.570 18712 7748 1 13 . 1 1 57 57 GLY CA C 57 45.625 45.625 45.132 0.493 18712 7749 1 13 . 1 1 57 57 GLY H H 57 8.841 8.841 8.719 0.122 18712 7750 1 13 . 1 1 58 58 ASP N N 58 121.375 121.375 121.868 -0.493 18712 7751 1 13 . 1 1 58 58 ASP HA H 58 4.532 4.532 4.802 -0.270 18712 7752 1 13 . 1 1 58 58 ASP CA C 58 54.765 54.765 52.694 2.071 18712 7753 1 13 . 1 1 58 58 ASP CB C 58 41.055 41.055 40.497 0.558 18712 7754 1 13 . 1 1 58 58 ASP H H 58 8.209 8.209 7.886 0.323 18712 7755 1 13 . 1 1 59 59 LEU N N 59 119.828 119.828 123.530 -3.702 18712 7756 1 13 . 1 1 59 59 LEU HA H 59 3.976 3.976 4.228 -0.252 18712 7757 1 13 . 1 1 59 59 LEU CA C 59 56.875 56.875 55.721 1.155 18712 7758 1 13 . 1 1 59 59 LEU CB C 59 44.219 44.219 42.443 1.776 18712 7759 1 13 . 1 1 59 59 LEU H H 59 8.570 8.570 8.374 0.196 18712 7760 1 13 . 1 1 60 60 LEU N N 60 116.594 116.594 113.869 2.725 18712 7761 1 13 . 1 1 60 60 LEU HA H 60 4.518 4.518 3.864 0.654 18712 7762 1 13 . 1 1 60 60 LEU CB C 60 44.922 44.922 40.157 4.765 18712 7763 1 13 . 1 1 60 60 LEU H H 60 8.816 8.816 7.767 1.049 18712 7764 1 13 . 1 1 61 61 VAL N N 61 115.656 115.656 115.877 -0.221 18712 7765 1 13 . 1 1 61 61 VAL HA H 61 4.618 4.618 4.166 0.452 18712 7766 1 13 . 1 1 61 61 VAL CA C 61 61.093 61.093 60.293 0.800 18712 7767 1 13 . 1 1 61 61 VAL CB C 61 36.484 36.484 35.084 1.400 18712 7768 1 13 . 1 1 61 61 VAL H H 61 7.322 7.322 7.319 0.003 18712 7769 1 13 . 1 1 62 62 GLY N N 62 117.191 117.191 113.110 4.081 18712 7770 1 13 . 1 1 62 62 GLY CA C 62 45.625 45.625 44.396 1.229 18712 7771 1 13 . 1 1 62 62 GLY H H 62 9.563 9.563 8.336 1.227 18712 7772 1 13 . 1 1 63 63 LYS N N 63 127.584 127.584 126.321 1.263 18712 7773 1 13 . 1 1 63 63 LYS HA H 63 5.328 5.328 4.715 0.613 18712 7774 1 13 . 1 1 63 63 LYS CA C 63 56.172 56.172 55.456 0.716 18712 7775 1 13 . 1 1 63 63 LYS CB C 63 35.078 35.078 35.610 -0.532 18712 7776 1 13 . 1 1 63 63 LYS H H 63 8.712 8.712 7.679 1.033 18712 7777 1 13 . 1 1 64 64 VAL N N 64 114.383 114.383 122.058 -7.675 18712 7778 1 13 . 1 1 64 64 VAL HA H 64 5.523 5.523 4.644 0.879 18712 7779 1 13 . 1 1 64 64 VAL CA C 64 57.578 57.578 59.811 -2.233 18712 7780 1 13 . 1 1 64 64 VAL CB C 64 35.781 35.781 34.773 1.008 18712 7781 1 13 . 1 1 64 64 VAL H H 64 8.481 8.481 8.086 0.395 18712 7782 1 13 . 1 1 65 65 THR N N 65 118.431 118.431 116.108 2.323 18712 7783 1 13 . 1 1 65 65 THR HA H 65 4.602 4.602 4.911 -0.309 18712 7784 1 13 . 1 1 65 65 THR CA C 65 59.687 59.687 58.516 1.171 18712 7785 1 13 . 1 1 65 65 THR CB C 65 72.343 72.343 69.124 3.219 18712 7786 1 13 . 1 1 65 65 THR H H 65 8.637 8.637 7.983 0.654 18712 7787 1 13 . 1 1 66 66 PRO HA H 66 4.557 4.557 4.506 0.051 18712 7788 1 13 . 1 1 66 66 PRO CA C 66 63.906 63.906 62.817 1.089 18712 7789 1 13 . 1 1 66 66 PRO CB C 66 32.969 32.969 32.590 0.380 18712 7790 1 13 . 1 1 67 67 LYS N N 67 122.359 122.359 119.377 2.982 18712 7791 1 13 . 1 1 67 67 LYS HA H 67 4.391 4.391 4.594 -0.203 18712 7792 1 13 . 1 1 67 67 LYS CA C 67 56.172 56.172 54.898 1.274 18712 7793 1 13 . 1 1 67 67 LYS CB C 67 35.078 35.078 36.273 -1.194 18712 7794 1 13 . 1 1 67 67 LYS H H 67 8.371 8.371 7.831 0.540 18712 7795 1 13 . 1 1 68 68 GLY N N 68 109.563 109.563 107.464 2.099 18712 7796 1 13 . 1 1 68 68 GLY CA C 68 44.922 44.922 44.181 0.742 18712 7797 1 13 . 1 1 68 68 GLY H H 68 8.583 8.583 8.045 0.538 18712 7798 1 13 . 1 1 69 69 VAL N N 69 118.378 118.378 118.623 -0.245 18712 7799 1 13 . 1 1 69 69 VAL HA H 69 4.032 4.032 4.200 -0.168 18712 7800 1 13 . 1 1 69 69 VAL CA C 69 63.203 63.203 63.853 -0.650 18712 7801 1 13 . 1 1 69 69 VAL CB C 69 32.266 32.266 32.331 -0.065 18712 7802 1 13 . 1 1 69 69 VAL H H 69 8.235 8.235 8.313 -0.078 18712 7803 1 13 . 1 1 70 70 THR N N 70 114.484 114.484 113.262 1.222 18712 7804 1 13 . 1 1 70 70 THR HA H 70 4.281 4.281 4.181 0.100 18712 7805 1 13 . 1 1 70 70 THR CA C 70 62.500 62.500 64.067 -1.567 18712 7806 1 13 . 1 1 70 70 THR CB C 70 69.531 69.531 68.620 0.911 18712 7807 1 13 . 1 1 70 70 THR H H 70 8.085 8.085 7.821 0.264 18712 7808 1 13 . 1 1 71 71 GLU N N 71 121.656 121.656 120.600 1.056 18712 7809 1 13 . 1 1 71 71 GLU HA H 71 4.325 4.325 4.506 -0.181 18712 7810 1 13 . 1 1 71 71 GLU CA C 71 56.172 56.172 55.788 0.384 18712 7811 1 13 . 1 1 71 71 GLU CB C 71 30.859 30.859 28.759 2.100 18712 7812 1 13 . 1 1 71 71 GLU H H 71 8.175 8.175 8.470 -0.295 18712 7813 1 13 . 1 1 72 72 LEU N N 72 122.219 122.219 120.294 1.925 18712 7814 1 13 . 1 1 72 72 LEU HA H 72 4.534 4.534 4.468 0.066 18712 7815 1 13 . 1 1 72 72 LEU CA C 72 54.765 54.765 54.393 0.372 18712 7816 1 13 . 1 1 72 72 LEU CB C 72 42.812 42.812 43.464 -0.652 18712 7817 1 13 . 1 1 72 72 LEU H H 72 7.770 7.770 7.326 0.444 18712 7818 1 13 . 1 1 73 73 THR N N 73 114.407 114.407 112.987 1.420 18712 7819 1 13 . 1 1 73 73 THR HA H 73 4.405 4.405 4.620 -0.215 18712 7820 1 13 . 1 1 73 73 THR CA C 73 61.093 61.093 59.936 1.157 18712 7821 1 13 . 1 1 73 73 THR CB C 73 70.937 70.937 71.205 -0.268 18712 7822 1 13 . 1 1 73 73 THR H H 73 8.869 8.869 7.820 1.049 18712 7823 1 13 . 1 1 74 74 ALA N N 74 123.782 123.782 122.411 1.371 18712 7824 1 13 . 1 1 74 74 ALA HA H 74 4.026 4.026 4.153 -0.127 18712 7825 1 13 . 1 1 74 74 ALA CA C 74 55.468 55.468 54.956 0.512 18712 7826 1 13 . 1 1 74 74 ALA CB C 74 18.203 18.203 18.529 -0.326 18712 7827 1 13 . 1 1 74 74 ALA H H 74 8.831 8.831 8.756 0.075 18712 7828 1 13 . 1 1 75 75 GLU N N 75 117.578 117.578 117.854 -0.276 18712 7829 1 13 . 1 1 75 75 GLU HA H 75 4.043 4.043 4.081 -0.038 18712 7830 1 13 . 1 1 75 75 GLU CA C 75 59.687 59.687 58.907 0.780 18712 7831 1 13 . 1 1 75 75 GLU CB C 75 29.453 29.453 29.476 -0.023 18712 7832 1 13 . 1 1 75 75 GLU H H 75 8.637 8.637 8.088 0.549 18712 7833 1 13 . 1 1 76 76 GLU N N 76 120.042 120.042 119.488 0.554 18712 7834 1 13 . 1 1 76 76 GLU HA H 76 4.010 4.010 4.197 -0.187 18712 7835 1 13 . 1 1 76 76 GLU CA C 76 58.281 58.281 58.390 -0.109 18712 7836 1 13 . 1 1 76 76 GLU CB C 76 30.859 30.859 29.290 1.569 18712 7837 1 13 . 1 1 76 76 GLU H H 76 7.847 7.847 7.516 0.331 18712 7838 1 13 . 1 1 77 77 ARG N N 77 119.687 119.687 119.185 0.502 18712 7839 1 13 . 1 1 77 77 ARG HA H 77 3.975 3.975 4.003 -0.028 18712 7840 1 13 . 1 1 77 77 ARG CA C 77 58.984 58.984 59.138 -0.154 18712 7841 1 13 . 1 1 77 77 ARG CB C 77 30.156 30.156 29.950 0.206 18712 7842 1 13 . 1 1 77 77 ARG H H 77 8.452 8.452 8.484 -0.032 18712 7843 1 13 . 1 1 78 78 LEU N N 78 120.250 120.250 116.995 3.255 18712 7844 1 13 . 1 1 78 78 LEU HA H 78 4.210 4.210 4.468 -0.258 18712 7845 1 13 . 1 1 78 78 LEU CA C 78 56.875 56.875 56.809 0.066 18712 7846 1 13 . 1 1 78 78 LEU CB C 78 42.109 42.109 42.003 0.106 18712 7847 1 13 . 1 1 78 78 LEU H H 78 7.685 7.685 7.491 0.194 18712 7848 1 13 . 1 1 79 79 LEU N N 79 119.265 119.265 121.142 -1.877 18712 7849 1 13 . 1 1 79 79 LEU HA H 79 4.208 4.208 3.979 0.229 18712 7850 1 13 . 1 1 79 79 LEU CA C 79 56.875 56.875 57.592 -0.717 18712 7851 1 13 . 1 1 79 79 LEU CB C 79 42.109 42.109 41.354 0.755 18712 7852 1 13 . 1 1 79 79 LEU H H 79 7.679 7.679 7.341 0.338 18712 7853 1 13 . 1 1 80 80 HIS N N 80 118.348 118.348 119.288 -0.940 18712 7854 1 13 . 1 1 80 80 HIS HA H 80 4.422 4.422 4.243 0.179 18712 7855 1 13 . 1 1 80 80 HIS CA C 80 57.578 57.578 59.835 -2.257 18712 7856 1 13 . 1 1 80 80 HIS CB C 80 30.156 30.156 29.584 0.572 18712 7857 1 13 . 1 1 80 80 HIS H H 80 8.127 8.127 7.911 0.216 18712 7858 1 13 . 1 1 81 81 ALA N N 81 122.359 122.359 121.051 1.308 18712 7859 1 13 . 1 1 81 81 ALA HA H 81 4.204 4.204 4.161 0.043 18712 7860 1 13 . 1 1 81 81 ALA CA C 81 54.062 54.062 54.347 -0.285 18712 7861 1 13 . 1 1 81 81 ALA CB C 81 18.906 18.906 18.310 0.596 18712 7862 1 13 . 1 1 81 81 ALA H H 81 7.908 7.908 7.747 0.161 18712 7863 1 13 . 1 1 82 82 ILE N N 82 117.705 117.705 118.584 -0.879 18712 7864 1 13 . 1 1 82 82 ILE HA H 82 3.972 3.972 3.877 0.095 18712 7865 1 13 . 1 1 82 82 ILE CA C 82 62.500 62.500 63.033 -0.533 18712 7866 1 13 . 1 1 82 82 ILE CB C 82 38.594 38.594 37.237 1.357 18712 7867 1 13 . 1 1 82 82 ILE H H 82 7.780 7.780 7.366 0.414 18712 7868 1 13 . 1 1 83 83 PHE N N 83 120.528 120.528 118.148 2.380 18712 7869 1 13 . 1 1 83 83 PHE HA H 83 4.633 4.633 4.333 0.300 18712 7870 1 13 . 1 1 83 83 PHE CA C 83 58.281 58.281 59.003 -0.722 18712 7871 1 13 . 1 1 83 83 PHE CB C 83 40.000 40.000 39.723 0.277 18712 7872 1 13 . 1 1 83 83 PHE H H 83 8.227 8.227 8.190 0.037 18712 7873 1 13 . 1 1 84 84 GLY N N 84 110.328 110.328 106.065 4.263 18712 7874 1 13 . 1 1 84 84 GLY CA C 84 45.625 45.625 45.468 0.157 18712 7875 1 13 . 1 1 84 84 GLY H H 84 8.157 8.157 8.001 0.156 18712 7876 1 13 . 1 1 85 85 GLU N N 85 120.975 120.975 117.476 3.499 18712 7877 1 13 . 1 1 85 85 GLU HA H 85 4.234 4.234 4.495 -0.261 18712 7878 1 13 . 1 1 85 85 GLU CA C 85 57.226 57.226 54.772 2.454 18712 7879 1 13 . 1 1 85 85 GLU CB C 85 30.156 30.156 33.364 -3.208 18712 7880 1 13 . 1 1 85 85 GLU H H 85 8.374 8.374 7.866 0.508 18712 7881 1 13 . 1 1 86 86 LYS N N 86 121.202 121.202 119.074 2.128 18712 7882 1 13 . 1 1 86 86 LYS HA H 86 4.291 4.291 4.531 -0.240 18712 7883 1 13 . 1 1 86 86 LYS CA C 86 56.172 56.172 56.609 -0.437 18712 7884 1 13 . 1 1 86 86 LYS CB C 86 32.969 32.969 32.785 0.184 18712 7885 1 13 . 1 1 86 86 LYS H H 86 8.230 8.230 8.302 -0.072 18712 7886 1 13 . 1 1 87 87 ALA N N 87 124.596 124.596 126.589 -1.993 18712 7887 1 13 . 1 1 87 87 ALA HA H 87 4.236 4.236 4.538 -0.302 18712 7888 1 13 . 1 1 87 87 ALA CA C 87 52.656 52.656 51.369 1.287 18712 7889 1 13 . 1 1 87 87 ALA CB C 87 19.610 19.610 20.502 -0.892 18712 7890 1 13 . 1 1 87 87 ALA H H 87 8.179 8.179 8.468 -0.289 18712 7891 1 13 . 1 1 88 88 ARG N N 88 120.688 120.688 120.111 0.577 18712 7892 1 13 . 1 1 88 88 ARG HA H 88 4.344 4.344 4.541 -0.197 18712 7893 1 13 . 1 1 88 88 ARG CA C 88 56.172 56.172 55.852 0.320 18712 7894 1 13 . 1 1 88 88 ARG CB C 88 30.859 30.859 31.503 -0.645 18712 7895 1 13 . 1 1 88 88 ARG H H 88 8.274 8.274 8.407 -0.133 18712 7896 1 13 . 1 1 89 89 GLU N N 89 124.469 124.469 125.299 -0.830 18712 7897 1 13 . 1 1 89 89 GLU HA H 89 4.575 4.575 4.616 -0.041 18712 7898 1 13 . 1 1 89 89 GLU CA C 89 55.468 55.468 55.800 -0.332 18712 7899 1 13 . 1 1 89 89 GLU CB C 89 30.156 30.156 31.043 -0.887 18712 7900 1 13 . 1 1 89 89 GLU H H 89 8.632 8.632 8.703 -0.071 18712 7901 1 13 . 1 1 90 90 VAL N N 90 114.440 114.440 121.434 -6.994 18712 7902 1 13 . 1 1 90 90 VAL HA H 90 5.047 5.047 4.296 0.751 18712 7903 1 13 . 1 1 90 90 VAL CA C 90 58.984 58.984 59.821 -0.837 18712 7904 1 13 . 1 1 90 90 VAL CB C 90 36.484 36.484 34.822 1.662 18712 7905 1 13 . 1 1 90 90 VAL H H 90 8.246 8.246 8.450 -0.204 18712 7906 1 13 . 1 1 91 91 ARG N N 91 118.602 118.602 123.136 -4.534 18712 7907 1 13 . 1 1 91 91 ARG HA H 91 4.771 4.771 4.627 0.144 18712 7908 1 13 . 1 1 91 91 ARG CB C 91 33.672 33.672 32.918 0.754 18712 7909 1 13 . 1 1 91 91 ARG H H 91 9.062 9.062 9.064 -0.002 18712 7910 1 13 . 1 1 92 92 ASP N N 92 121.656 121.656 122.728 -1.072 18712 7911 1 13 . 1 1 92 92 ASP HA H 92 4.754 4.754 4.742 0.012 18712 7912 1 13 . 1 1 92 92 ASP CB C 92 41.406 41.406 40.278 1.128 18712 7913 1 13 . 1 1 92 92 ASP H H 92 8.770 8.770 8.547 0.223 18712 7914 1 13 . 1 1 93 93 THR N N 93 124.654 124.654 111.911 12.743 18712 7915 1 13 . 1 1 93 93 THR HA H 93 4.586 4.586 4.476 0.110 18712 7916 1 13 . 1 1 93 93 THR CA C 93 60.390 60.390 61.024 -0.634 18712 7917 1 13 . 1 1 93 93 THR CB C 93 66.718 66.718 69.836 -3.118 18712 7918 1 13 . 1 1 93 93 THR H H 93 9.253 9.253 7.773 1.480 18712 7919 1 13 . 1 1 94 94 SER N N 94 117.437 117.437 116.503 0.934 18712 7920 1 13 . 1 1 94 94 SER HA H 94 4.455 4.455 4.437 0.018 18712 7921 1 13 . 1 1 94 94 SER CA C 94 60.390 60.390 58.783 1.607 18712 7922 1 13 . 1 1 94 94 SER CB C 94 63.906 63.906 63.836 0.070 18712 7923 1 13 . 1 1 94 94 SER H H 94 8.564 8.564 7.663 0.901 18712 7924 1 13 . 1 1 95 95 LEU N N 95 125.594 125.594 122.234 3.360 18712 7925 1 13 . 1 1 95 95 LEU HA H 95 4.684 4.684 4.456 0.228 18712 7926 1 13 . 1 1 95 95 LEU CB C 95 43.516 43.516 43.018 0.498 18712 7927 1 13 . 1 1 95 95 LEU H H 95 8.964 8.964 8.499 0.465 18712 7928 1 13 . 1 1 96 96 ARG N N 96 128.669 128.669 123.770 4.899 18712 7929 1 13 . 1 1 96 96 ARG HA H 96 5.061 5.061 4.544 0.517 18712 7930 1 13 . 1 1 96 96 ARG CA C 96 54.062 54.062 55.743 -1.681 18712 7931 1 13 . 1 1 96 96 ARG CB C 96 34.375 34.375 31.480 2.895 18712 7932 1 13 . 1 1 96 96 ARG H H 96 8.709 8.709 8.532 0.177 18712 7933 1 13 . 1 1 97 97 VAL N N 97 121.375 121.375 122.976 -1.601 18712 7934 1 13 . 1 1 97 97 VAL HA H 97 3.386 3.386 4.445 -1.059 18712 7935 1 13 . 1 1 97 97 VAL CA C 97 61.093 61.093 58.253 2.840 18712 7936 1 13 . 1 1 97 97 VAL CB C 97 32.266 32.266 34.972 -2.707 18712 7937 1 13 . 1 1 97 97 VAL H H 97 8.745 8.745 8.271 0.474 18712 7938 1 13 . 1 1 98 98 PRO HA H 98 4.543 4.543 4.599 -0.056 18712 7939 1 13 . 1 1 98 98 PRO CA C 98 62.500 62.500 62.402 0.098 18712 7940 1 13 . 1 1 98 98 PRO CB C 98 32.969 32.969 32.716 0.253 18712 7941 1 13 . 1 1 99 99 HIS N N 99 118.140 118.140 118.960 -0.820 18712 7942 1 13 . 1 1 99 99 HIS HA H 99 4.272 4.272 4.282 -0.010 18712 7943 1 13 . 1 1 99 99 HIS CA C 99 58.281 58.281 57.957 0.324 18712 7944 1 13 . 1 1 99 99 HIS CB C 99 30.156 30.156 30.384 -0.227 18712 7945 1 13 . 1 1 99 99 HIS H H 99 8.368 8.368 8.428 -0.060 18712 7946 1 13 . 1 1 100 100 GLY N N 100 116.101 116.101 116.659 -0.558 18712 7947 1 13 . 1 1 100 100 GLY CA C 100 45.625 45.625 45.266 0.359 18712 7948 1 13 . 1 1 100 100 GLY H H 100 9.411 9.411 8.643 0.768 18712 7949 1 13 . 1 1 101 101 GLY N N 101 108.798 108.798 109.818 -1.020 18712 7950 1 13 . 1 1 101 101 GLY CA C 101 45.625 45.625 45.605 0.020 18712 7951 1 13 . 1 1 101 101 GLY H H 101 8.399 8.399 8.012 0.387 18712 7952 1 13 . 1 1 102 102 GLY N N 102 105.967 105.967 108.372 -2.405 18712 7953 1 13 . 1 1 102 102 GLY CA C 102 45.625 45.625 45.459 0.166 18712 7954 1 13 . 1 1 102 102 GLY H H 102 8.310 8.310 8.293 0.017 18712 7955 1 13 . 1 1 103 103 GLY N N 103 107.574 107.574 107.327 0.247 18712 7956 1 13 . 1 1 103 103 GLY CA C 103 46.328 46.328 43.851 2.477 18712 7957 1 13 . 1 1 103 103 GLY H H 103 8.075 8.075 7.554 0.521 18712 7958 1 13 . 1 1 104 104 ILE N N 104 122.219 122.219 118.662 3.557 18712 7959 1 13 . 1 1 104 104 ILE HA H 104 5.075 5.075 4.405 0.670 18712 7960 1 13 . 1 1 104 104 ILE CA C 104 58.281 58.281 60.260 -1.979 18712 7961 1 13 . 1 1 104 104 ILE CB C 104 40.703 40.703 42.743 -2.040 18712 7962 1 13 . 1 1 104 104 ILE H H 104 8.269 8.269 7.625 0.644 18712 7963 1 13 . 1 1 105 105 ILE N N 105 124.237 124.237 125.025 -0.788 18712 7964 1 13 . 1 1 105 105 ILE HA H 105 4.312 4.312 4.415 -0.103 18712 7965 1 13 . 1 1 105 105 ILE CA C 105 60.390 60.390 60.989 -0.599 18712 7966 1 13 . 1 1 105 105 ILE CB C 105 34.375 34.375 35.111 -0.736 18712 7967 1 13 . 1 1 105 105 ILE H H 105 8.965 8.965 8.248 0.717 18712 7968 1 13 . 1 1 106 106 HIS N N 106 135.053 135.053 127.297 7.756 18712 7969 1 13 . 1 1 106 106 HIS HA H 106 4.506 4.506 4.763 -0.257 18712 7970 1 13 . 1 1 106 106 HIS CA C 106 57.578 57.578 55.783 1.795 18712 7971 1 13 . 1 1 106 106 HIS CB C 106 33.672 33.672 31.664 2.008 18712 7972 1 13 . 1 1 106 106 HIS H H 106 9.604 9.604 8.647 0.957 18712 7973 1 13 . 1 1 107 107 ASP N N 107 112.528 112.528 119.330 -6.802 18712 7974 1 13 . 1 1 107 107 ASP HA H 107 4.707 4.707 4.776 -0.069 18712 7975 1 13 . 1 1 107 107 ASP CB C 107 42.812 42.812 44.483 -1.671 18712 7976 1 13 . 1 1 107 107 ASP H H 107 7.930 7.930 7.721 0.209 18712 7977 1 13 . 1 1 108 108 VAL N N 108 121.656 121.656 119.707 1.949 18712 7978 1 13 . 1 1 108 108 VAL HA H 108 5.028 5.028 4.630 0.398 18712 7979 1 13 . 1 1 108 108 VAL CA C 108 61.796 61.796 61.310 0.486 18712 7980 1 13 . 1 1 108 108 VAL CB C 108 36.484 36.484 34.813 1.671 18712 7981 1 13 . 1 1 108 108 VAL H H 108 8.325 8.325 8.365 -0.040 18712 7982 1 13 . 1 1 109 109 LYS N N 109 126.798 126.798 127.862 -1.064 18712 7983 1 13 . 1 1 109 109 LYS HA H 109 4.676 4.676 4.690 -0.014 18712 7984 1 13 . 1 1 109 109 LYS CB C 109 37.187 37.187 35.127 2.060 18712 7985 1 13 . 1 1 109 109 LYS H H 109 9.417 9.417 8.795 0.622 18712 7986 1 13 . 1 1 110 110 VAL N N 110 121.892 121.892 122.481 -0.589 18712 7987 1 13 . 1 1 110 110 VAL HA H 110 4.676 4.676 4.415 0.261 18712 7988 1 13 . 1 1 110 110 VAL CB C 110 33.672 33.672 33.718 -0.046 18712 7989 1 13 . 1 1 110 110 VAL H H 110 8.206 8.206 8.169 0.037 18712 7990 1 13 . 1 1 111 111 PHE N N 111 126.578 126.578 127.676 -1.098 18712 7991 1 13 . 1 1 111 111 PHE HA H 111 4.995 4.995 4.837 0.158 18712 7992 1 13 . 1 1 111 111 PHE CA C 111 56.172 56.172 55.775 0.397 18712 7993 1 13 . 1 1 111 111 PHE CB C 111 42.109 42.109 41.048 1.060 18712 7994 1 13 . 1 1 111 111 PHE H H 111 9.459 9.459 8.928 0.531 18712 7995 1 13 . 1 1 112 112 ASN N N 112 121.797 121.797 120.992 0.805 18712 7996 1 13 . 1 1 112 112 ASN HA H 112 5.425 5.425 5.155 0.270 18712 7997 1 13 . 1 1 112 112 ASN CA C 112 52.656 52.656 51.716 0.940 18712 7998 1 13 . 1 1 112 112 ASN CB C 112 42.109 42.109 41.724 0.385 18712 7999 1 13 . 1 1 112 112 ASN H H 112 10.663 10.663 8.499 2.164 18712 8000 1 13 . 1 1 113 113 ARG N N 113 130.516 130.516 124.899 5.617 18712 8001 1 13 . 1 1 113 113 ARG HA H 113 4.435 4.435 4.429 0.006 18712 8002 1 13 . 1 1 113 113 ARG CA C 113 59.687 59.687 58.947 0.740 18712 8003 1 13 . 1 1 113 113 ARG CB C 113 30.859 30.859 29.863 0.996 18712 8004 1 13 . 1 1 113 113 ARG H H 113 9.138 9.138 8.864 0.274 18712 8005 1 13 . 1 1 114 114 GLU N N 114 119.008 119.008 118.610 0.398 18712 8006 1 13 . 1 1 114 114 GLU HA H 114 4.142 4.142 4.153 -0.011 18712 8007 1 13 . 1 1 114 114 GLU CA C 114 58.281 58.281 58.664 -0.383 18712 8008 1 13 . 1 1 114 114 GLU CB C 114 29.453 29.453 28.806 0.647 18712 8009 1 13 . 1 1 114 114 GLU H H 114 8.924 8.924 8.407 0.517 18712 8010 1 13 . 1 1 115 115 ASP N N 115 116.593 116.593 117.528 -0.935 18712 8011 1 13 . 1 1 115 115 ASP HA H 115 4.869 4.869 4.551 0.318 18712 8012 1 13 . 1 1 115 115 ASP CA C 115 54.062 54.062 54.307 -0.245 18712 8013 1 13 . 1 1 115 115 ASP CB C 115 42.109 42.109 41.513 0.596 18712 8014 1 13 . 1 1 115 115 ASP H H 115 7.356 7.356 7.732 -0.376 18712 8015 1 13 . 1 1 116 116 GLY N N 116 106.689 106.689 107.451 -0.762 18712 8016 1 13 . 1 1 116 116 GLY CA C 116 44.922 44.922 44.654 0.268 18712 8017 1 13 . 1 1 116 116 GLY H H 116 7.918 7.918 7.602 0.316 18712 8018 1 13 . 1 1 117 117 ASP N N 117 119.329 119.329 121.623 -2.294 18712 8019 1 13 . 1 1 117 117 ASP HA H 117 4.632 4.632 4.764 -0.132 18712 8020 1 13 . 1 1 117 117 ASP CA C 117 55.468 55.468 53.594 1.874 18712 8021 1 13 . 1 1 117 117 ASP CB C 117 41.406 41.406 41.963 -0.557 18712 8022 1 13 . 1 1 117 117 ASP H H 117 7.220 7.220 7.831 -0.611 18712 8023 1 13 . 1 1 118 118 GLU N N 118 123.484 123.484 124.865 -1.381 18712 8024 1 13 . 1 1 118 118 GLU HA H 118 4.240 4.240 4.355 -0.115 18712 8025 1 13 . 1 1 118 118 GLU CA C 118 56.875 56.875 56.716 0.159 18712 8026 1 13 . 1 1 118 118 GLU CB C 118 29.453 29.453 30.639 -1.186 18712 8027 1 13 . 1 1 118 118 GLU H H 118 8.626 8.626 8.576 0.050 18712 8028 1 13 . 1 1 119 119 LEU N N 119 129.139 129.139 125.142 3.997 18712 8029 1 13 . 1 1 119 119 LEU HA H 119 4.759 4.759 4.773 -0.014 18712 8030 1 13 . 1 1 119 119 LEU CB C 119 44.219 44.219 43.445 0.774 18712 8031 1 13 . 1 1 119 119 LEU H H 119 8.106 8.106 8.275 -0.169 18712 8032 1 13 . 1 1 120 120 PRO CB C 120 31.914 31.914 31.368 0.546 18712 8033 1 13 . 1 1 121 121 PRO HA H 121 4.269 4.269 4.347 -0.078 18712 8034 1 13 . 1 1 121 121 PRO CA C 121 63.906 63.906 63.694 0.212 18712 8035 1 13 . 1 1 121 121 PRO CB C 121 31.563 31.563 31.263 0.300 18712 8036 1 13 . 1 1 122 122 GLY N N 122 112.656 112.656 111.321 1.335 18712 8037 1 13 . 1 1 122 122 GLY CA C 122 45.625 45.625 44.808 0.817 18712 8038 1 13 . 1 1 122 122 GLY H H 122 8.827 8.827 8.541 0.286 18712 8039 1 13 . 1 1 123 123 VAL N N 123 119.406 119.406 119.750 -0.344 18712 8040 1 13 . 1 1 123 123 VAL HA H 123 4.017 4.017 4.468 -0.451 18712 8041 1 13 . 1 1 123 123 VAL CA C 123 62.851 62.851 61.790 1.061 18712 8042 1 13 . 1 1 123 123 VAL CB C 123 32.266 32.266 33.312 -1.046 18712 8043 1 13 . 1 1 123 123 VAL H H 123 7.845 7.845 7.423 0.422 18712 8044 1 13 . 1 1 124 124 ASN N N 124 124.609 124.609 119.604 5.005 18712 8045 1 13 . 1 1 124 124 ASN HA H 124 4.877 4.877 4.951 -0.074 18712 8046 1 13 . 1 1 124 124 ASN CA C 124 54.765 54.765 52.912 1.853 18712 8047 1 13 . 1 1 124 124 ASN CB C 124 40.000 40.000 41.296 -1.296 18712 8048 1 13 . 1 1 124 124 ASN H H 124 9.206 9.206 8.710 0.496 18712 8049 1 13 . 1 1 125 125 GLN N N 125 117.959 117.959 115.282 2.677 18712 8050 1 13 . 1 1 125 125 GLN HA H 125 5.234 5.234 4.678 0.556 18712 8051 1 13 . 1 1 125 125 GLN CA C 125 56.172 56.172 55.123 1.049 18712 8052 1 13 . 1 1 125 125 GLN CB C 125 33.672 33.672 33.008 0.664 18712 8053 1 13 . 1 1 125 125 GLN H H 125 7.756 7.756 7.521 0.235 18712 8054 1 13 . 1 1 126 126 LEU N N 126 125.559 125.559 121.880 3.679 18712 8055 1 13 . 1 1 126 126 LEU HA H 126 5.261 5.261 5.029 0.232 18712 8056 1 13 . 1 1 126 126 LEU CA C 126 54.765 54.765 54.800 -0.035 18712 8057 1 13 . 1 1 126 126 LEU CB C 126 47.734 47.734 46.370 1.364 18712 8058 1 13 . 1 1 126 126 LEU H H 126 8.866 8.866 8.304 0.562 18712 8059 1 13 . 1 1 127 127 VAL N N 127 126.578 126.578 125.947 0.631 18712 8060 1 13 . 1 1 127 127 VAL HA H 127 5.127 5.127 4.711 0.416 18712 8061 1 13 . 1 1 127 127 VAL CA C 127 60.390 60.390 59.910 0.480 18712 8062 1 13 . 1 1 127 127 VAL CB C 127 35.078 35.078 34.999 0.079 18712 8063 1 13 . 1 1 127 127 VAL H H 127 9.367 9.367 9.030 0.337 18712 8064 1 13 . 1 1 128 128 ARG N N 128 126.578 126.578 127.989 -1.411 18712 8065 1 13 . 1 1 128 128 ARG HA H 128 5.259 5.259 4.910 0.349 18712 8066 1 13 . 1 1 128 128 ARG CA C 128 54.765 54.765 54.296 0.469 18712 8067 1 13 . 1 1 128 128 ARG CB C 128 33.672 33.672 33.220 0.452 18712 8068 1 13 . 1 1 128 128 ARG H H 128 9.502 9.502 8.625 0.877 18712 8069 1 13 . 1 1 129 129 VAL N N 129 123.977 123.977 122.700 1.277 18712 8070 1 13 . 1 1 129 129 VAL HA H 129 4.489 4.489 4.319 0.170 18712 8071 1 13 . 1 1 129 129 VAL CA C 129 61.093 61.093 61.563 -0.470 18712 8072 1 13 . 1 1 129 129 VAL CB C 129 35.078 35.078 33.826 1.252 18712 8073 1 13 . 1 1 129 129 VAL H H 129 9.051 9.051 8.309 0.742 18712 8074 1 13 . 1 1 130 130 TYR N N 130 124.673 124.673 124.796 -0.123 18712 8075 1 13 . 1 1 130 130 TYR HA H 130 5.419 5.419 4.847 0.572 18712 8076 1 13 . 1 1 130 130 TYR CA C 130 56.172 56.172 56.580 -0.408 18712 8077 1 13 . 1 1 130 130 TYR CB C 130 39.297 39.297 41.609 -2.312 18712 8078 1 13 . 1 1 130 130 TYR H H 130 8.650 8.650 8.739 -0.088 18712 8079 1 13 . 1 1 131 131 ILE N N 131 125.227 125.227 123.356 1.871 18712 8080 1 13 . 1 1 131 131 ILE HA H 131 4.869 4.869 4.690 0.179 18712 8081 1 13 . 1 1 131 131 ILE CB C 131 40.000 40.000 41.266 -1.266 18712 8082 1 13 . 1 1 131 131 ILE H H 131 9.509 9.509 8.415 1.094 18712 8083 1 13 . 1 1 132 132 VAL N N 132 126.859 126.859 125.614 1.245 18712 8084 1 13 . 1 1 132 132 VAL HA H 132 4.729 4.729 4.542 0.187 18712 8085 1 13 . 1 1 132 132 VAL CA C 132 61.093 61.093 60.365 0.728 18712 8086 1 13 . 1 1 132 132 VAL CB C 132 33.672 33.672 32.623 1.049 18712 8087 1 13 . 1 1 132 132 VAL H H 132 9.606 9.606 8.105 1.501 18712 8088 1 13 . 1 1 133 133 GLN N N 133 128.406 128.406 124.329 4.077 18712 8089 1 13 . 1 1 133 133 GLN HA H 133 4.751 4.751 4.596 0.155 18712 8090 1 13 . 1 1 133 133 GLN CA C 133 54.765 54.765 54.507 0.258 18712 8091 1 13 . 1 1 133 133 GLN CB C 133 31.563 31.563 29.350 2.213 18712 8092 1 13 . 1 1 133 133 GLN H H 133 9.153 9.153 8.125 1.028 18712 8093 1 13 . 1 1 134 134 LYS N N 134 122.929 122.929 125.827 -2.898 18712 8094 1 13 . 1 1 134 134 LYS HA H 134 4.725 4.725 4.513 0.212 18712 8095 1 13 . 1 1 134 134 LYS CA C 134 56.172 56.172 56.058 0.114 18712 8096 1 13 . 1 1 134 134 LYS CB C 134 33.320 33.320 33.051 0.269 18712 8097 1 13 . 1 1 134 134 LYS H H 134 8.561 8.561 8.526 0.035 18712 8098 1 13 . 1 1 135 135 ARG N N 135 123.484 123.484 124.569 -1.085 18712 8099 1 13 . 1 1 135 135 ARG HA H 135 4.503 4.503 4.603 -0.100 18712 8100 1 13 . 1 1 135 135 ARG CA C 135 55.468 55.468 55.409 0.059 18712 8101 1 13 . 1 1 135 135 ARG CB C 135 32.266 32.266 32.003 0.263 18712 8102 1 13 . 1 1 135 135 ARG H H 135 8.596 8.596 8.508 0.088 18712 8103 1 13 . 1 1 136 136 LYS N N 136 123.906 123.906 121.868 2.038 18712 8104 1 13 . 1 1 136 136 LYS HA H 136 4.467 4.467 4.499 -0.032 18712 8105 1 13 . 1 1 136 136 LYS CA C 136 56.172 56.172 55.763 0.409 18712 8106 1 13 . 1 1 136 136 LYS CB C 136 32.969 32.969 33.201 -0.232 18712 8107 1 13 . 1 1 136 136 LYS H H 136 8.608 8.608 8.347 0.261 18712 8108 1 13 . 1 1 137 137 ILE N N 137 123.571 123.571 119.640 3.931 18712 8109 1 13 . 1 1 137 137 ILE HA H 137 4.184 4.184 3.986 0.198 18712 8110 1 13 . 1 1 137 137 ILE CA C 137 61.093 61.093 61.169 -0.076 18712 8111 1 13 . 1 1 137 137 ILE CB C 137 38.594 38.594 38.613 -0.019 18712 8112 1 13 . 1 1 137 137 ILE H H 137 8.353 8.353 8.151 0.202 18712 8113 1 13 . 1 1 138 138 SER N N 138 119.547 119.547 117.952 1.595 18712 8114 1 13 . 1 1 138 138 SER HA H 138 4.503 4.503 4.423 0.080 18712 8115 1 13 . 1 1 138 138 SER CA C 138 58.281 58.281 58.990 -0.709 18712 8116 1 13 . 1 1 138 138 SER CB C 138 63.906 63.906 63.804 0.102 18712 8117 1 13 . 1 1 138 138 SER H H 138 8.410 8.410 8.251 0.159 18712 8118 1 13 . 1 1 139 139 GLU N N 139 123.281 123.281 127.723 -4.442 18712 8119 1 13 . 1 1 139 139 GLU HA H 139 4.307 4.307 4.482 -0.175 18712 8120 1 13 . 1 1 139 139 GLU CA C 139 56.875 56.875 56.524 0.351 18712 8121 1 13 . 1 1 139 139 GLU CB C 139 30.156 30.156 31.165 -1.009 18712 8122 1 13 . 1 1 139 139 GLU H H 139 8.489 8.489 8.698 -0.209 18712 8123 1 13 . 1 1 140 140 GLY N N 140 109.792 109.792 106.465 3.327 18712 8124 1 13 . 1 1 140 140 GLY CA C 140 45.625 45.625 45.100 0.525 18712 8125 1 13 . 1 1 140 140 GLY H H 140 8.418 8.418 8.265 0.153 18712 8126 1 14 . 1 1 4 4 VAL N N 4 119.125 119.125 122.610 -3.485 18712 8127 1 14 . 1 1 4 4 VAL HA H 4 4.070 4.070 4.469 -0.399 18712 8128 1 14 . 1 1 4 4 VAL CA C 4 62.500 62.500 61.881 0.619 18712 8129 1 14 . 1 1 4 4 VAL CB C 4 32.969 32.969 33.978 -1.009 18712 8130 1 14 . 1 1 4 4 VAL H H 4 7.998 7.998 8.146 -0.148 18712 8131 1 14 . 1 1 5 5 TYR N N 5 122.640 122.640 123.371 -0.731 18712 8132 1 14 . 1 1 5 5 TYR HA H 5 4.674 4.674 4.851 -0.177 18712 8133 1 14 . 1 1 5 5 TYR CA C 5 58.281 58.281 56.952 1.329 18712 8134 1 14 . 1 1 5 5 TYR CB C 5 38.594 38.594 39.308 -0.714 18712 8135 1 14 . 1 1 5 5 TYR H H 5 8.305 8.305 8.347 -0.042 18712 8136 1 14 . 1 1 6 6 THR N N 6 114.861 114.861 116.429 -1.568 18712 8137 1 14 . 1 1 6 6 THR HA H 6 4.548 4.548 4.406 0.142 18712 8138 1 14 . 1 1 6 6 THR CA C 6 61.796 61.796 60.975 0.821 18712 8139 1 14 . 1 1 6 6 THR CB C 6 70.234 70.234 69.737 0.497 18712 8140 1 14 . 1 1 6 6 THR H H 6 8.003 8.003 8.544 -0.541 18712 8141 1 14 . 1 1 7 7 SER N N 7 118.140 118.140 117.497 0.643 18712 8142 1 14 . 1 1 7 7 SER HA H 7 4.600 4.600 4.402 0.198 18712 8143 1 14 . 1 1 7 7 SER CA C 7 57.578 57.578 58.738 -1.160 18712 8144 1 14 . 1 1 7 7 SER CB C 7 64.609 64.609 63.502 1.107 18712 8145 1 14 . 1 1 7 7 SER H H 7 8.487 8.487 8.135 0.352 18712 8146 1 14 . 1 1 8 8 ILE N N 8 121.375 121.375 120.457 0.918 18712 8147 1 14 . 1 1 8 8 ILE HA H 8 4.627 4.627 4.276 0.351 18712 8148 1 14 . 1 1 8 8 ILE CA C 8 60.390 60.390 61.479 -1.089 18712 8149 1 14 . 1 1 8 8 ILE CB C 8 40.000 40.000 38.406 1.594 18712 8150 1 14 . 1 1 8 8 ILE H H 8 8.139 8.139 8.144 -0.005 18712 8151 1 14 . 1 1 9 9 HIS N N 9 125.734 125.734 126.093 -0.359 18712 8152 1 14 . 1 1 9 9 HIS HA H 9 4.768 4.768 4.744 0.024 18712 8153 1 14 . 1 1 9 9 HIS CB C 9 32.617 32.617 33.874 -1.257 18712 8154 1 14 . 1 1 9 9 HIS H H 9 8.743 8.743 8.531 0.212 18712 8155 1 14 . 1 1 10 10 ILE N N 10 125.875 125.875 122.092 3.783 18712 8156 1 14 . 1 1 10 10 ILE HA H 10 4.806 4.806 4.603 0.203 18712 8157 1 14 . 1 1 10 10 ILE CB C 10 39.297 39.297 38.906 0.392 18712 8158 1 14 . 1 1 10 10 ILE H H 10 8.035 8.035 8.755 -0.720 18712 8159 1 14 . 1 1 11 11 GLU N N 11 129.438 129.438 128.745 0.693 18712 8160 1 14 . 1 1 11 11 GLU HA H 11 4.472 4.472 4.400 0.072 18712 8161 1 14 . 1 1 11 11 GLU CA C 11 54.062 54.062 55.646 -1.584 18712 8162 1 14 . 1 1 11 11 GLU CB C 11 32.617 32.617 31.297 1.320 18712 8163 1 14 . 1 1 11 11 GLU H H 11 8.934 8.934 8.862 0.072 18712 8164 1 14 . 1 1 12 12 GLU N N 12 123.983 123.983 119.811 4.172 18712 8165 1 14 . 1 1 12 12 GLU HA H 12 4.752 4.752 4.702 0.050 18712 8166 1 14 . 1 1 12 12 GLU CA C 12 54.062 54.062 54.858 -0.796 18712 8167 1 14 . 1 1 12 12 GLU CB C 12 32.617 32.617 30.838 1.779 18712 8168 1 14 . 1 1 12 12 GLU H H 12 8.192 8.192 8.297 -0.105 18712 8169 1 14 . 1 1 13 13 TYR N N 13 122.826 122.826 124.011 -1.185 18712 8170 1 14 . 1 1 13 13 TYR HA H 13 4.741 4.741 4.706 0.035 18712 8171 1 14 . 1 1 13 13 TYR CB C 13 42.812 42.812 41.299 1.513 18712 8172 1 14 . 1 1 13 13 TYR H H 13 8.926 8.926 8.081 0.845 18712 8173 1 14 . 1 1 14 14 GLU N N 14 119.329 119.329 121.170 -1.841 18712 8174 1 14 . 1 1 14 14 GLU HA H 14 5.647 5.647 4.742 0.905 18712 8175 1 14 . 1 1 14 14 GLU CA C 14 54.765 54.765 55.246 -0.481 18712 8176 1 14 . 1 1 14 14 GLU CB C 14 34.375 34.375 32.908 1.467 18712 8177 1 14 . 1 1 14 14 GLU H H 14 8.716 8.716 8.547 0.169 18712 8178 1 14 . 1 1 15 15 SER N N 15 116.172 116.172 117.769 -1.597 18712 8179 1 14 . 1 1 15 15 SER HA H 15 4.616 4.616 4.720 -0.104 18712 8180 1 14 . 1 1 15 15 SER CA C 15 57.578 57.578 58.728 -1.150 18712 8181 1 14 . 1 1 15 15 SER CB C 15 66.015 66.015 64.733 1.282 18712 8182 1 14 . 1 1 15 15 SER H H 15 8.922 8.922 8.263 0.659 18712 8183 1 14 . 1 1 16 16 GLU N N 16 125.172 125.172 126.571 -1.399 18712 8184 1 14 . 1 1 16 16 GLU HA H 16 5.082 5.082 4.852 0.230 18712 8185 1 14 . 1 1 16 16 GLU CA C 16 54.062 54.062 53.944 0.118 18712 8186 1 14 . 1 1 16 16 GLU CB C 16 32.969 32.969 33.512 -0.543 18712 8187 1 14 . 1 1 16 16 GLU H H 16 8.587 8.587 8.177 0.410 18712 8188 1 14 . 1 1 17 17 ALA N N 17 124.890 124.890 127.922 -3.032 18712 8189 1 14 . 1 1 17 17 ALA HA H 17 4.969 4.969 4.337 0.632 18712 8190 1 14 . 1 1 17 17 ALA CA C 17 50.547 50.547 51.910 -1.363 18712 8191 1 14 . 1 1 17 17 ALA CB C 17 19.610 19.610 18.947 0.663 18712 8192 1 14 . 1 1 17 17 ALA H H 17 9.000 9.000 8.490 0.510 18712 8193 1 14 . 1 1 18 18 ARG N N 18 125.376 125.376 125.488 -0.112 18712 8194 1 14 . 1 1 18 18 ARG HA H 18 5.175 5.175 4.777 0.398 18712 8195 1 14 . 1 1 18 18 ARG CA C 18 54.765 54.765 54.901 -0.136 18712 8196 1 14 . 1 1 18 18 ARG CB C 18 34.375 34.375 30.737 3.638 18712 8197 1 14 . 1 1 18 18 ARG H H 18 9.624 9.624 8.011 1.613 18712 8198 1 14 . 1 1 19 19 ASP N N 19 119.828 119.828 125.062 -5.234 18712 8199 1 14 . 1 1 19 19 ASP HA H 19 4.685 4.685 4.533 0.152 18712 8200 1 14 . 1 1 19 19 ASP CA C 19 55.117 55.117 54.643 0.474 18712 8201 1 14 . 1 1 19 19 ASP CB C 19 41.406 41.406 41.747 -0.341 18712 8202 1 14 . 1 1 19 19 ASP H H 19 8.420 8.420 8.509 -0.089 18712 8203 1 14 . 1 1 20 20 THR N N 20 112.948 112.948 115.546 -2.598 18712 8204 1 14 . 1 1 20 20 THR HA H 20 4.979 4.979 4.531 0.448 18712 8205 1 14 . 1 1 20 20 THR CA C 20 60.390 60.390 60.065 0.325 18712 8206 1 14 . 1 1 20 20 THR CB C 20 73.046 73.046 69.781 3.265 18712 8207 1 14 . 1 1 20 20 THR H H 20 7.602 7.602 7.914 -0.312 18712 8208 1 14 . 1 1 21 21 LYS HA H 21 4.146 4.146 4.394 -0.248 18712 8209 1 14 . 1 1 21 21 LYS CA C 21 58.984 58.984 57.671 1.313 18712 8210 1 14 . 1 1 21 21 LYS CB C 21 32.266 32.266 31.684 0.582 18712 8211 1 14 . 1 1 22 22 LEU N N 22 117.346 117.346 121.215 -3.869 18712 8212 1 14 . 1 1 22 22 LEU HA H 22 4.532 4.532 4.535 -0.003 18712 8213 1 14 . 1 1 22 22 LEU CA C 22 54.062 54.062 54.598 -0.536 18712 8214 1 14 . 1 1 22 22 LEU CB C 22 42.812 42.812 42.293 0.519 18712 8215 1 14 . 1 1 22 22 LEU H H 22 7.848 7.848 7.445 0.403 18712 8216 1 14 . 1 1 23 23 GLY N N 23 108.437 108.437 109.588 -1.151 18712 8217 1 14 . 1 1 23 23 GLY CA C 23 43.516 43.516 44.432 -0.916 18712 8218 1 14 . 1 1 23 23 GLY H H 23 7.407 7.407 7.389 0.018 18712 8219 1 14 . 1 1 24 24 PRO HA H 24 4.894 4.894 4.573 0.321 18712 8220 1 14 . 1 1 24 24 PRO CA C 24 63.906 63.906 62.375 1.531 18712 8221 1 14 . 1 1 24 24 PRO CB C 24 31.563 31.563 33.327 -1.764 18712 8222 1 14 . 1 1 25 25 GLU N N 25 118.281 118.281 118.353 -0.072 18712 8223 1 14 . 1 1 25 25 GLU HA H 25 4.621 4.621 4.466 0.155 18712 8224 1 14 . 1 1 25 25 GLU CA C 25 56.523 56.523 57.027 -0.504 18712 8225 1 14 . 1 1 25 25 GLU CB C 25 32.266 32.266 31.581 0.685 18712 8226 1 14 . 1 1 25 25 GLU H H 25 8.341 8.341 8.678 -0.337 18712 8227 1 14 . 1 1 26 26 GLU N N 26 119.406 119.406 117.925 1.481 18712 8228 1 14 . 1 1 26 26 GLU HA H 26 4.710 4.710 4.605 0.105 18712 8229 1 14 . 1 1 26 26 GLU CA C 26 54.765 54.765 55.620 -0.855 18712 8230 1 14 . 1 1 26 26 GLU CB C 26 33.672 33.672 31.087 2.585 18712 8231 1 14 . 1 1 26 26 GLU H H 26 8.336 8.336 7.845 0.491 18712 8232 1 14 . 1 1 27 27 ILE N N 27 127.472 127.472 122.471 5.001 18712 8233 1 14 . 1 1 27 27 ILE HA H 27 5.009 5.009 4.170 0.839 18712 8234 1 14 . 1 1 27 27 ILE CA C 27 60.390 60.390 61.877 -1.488 18712 8235 1 14 . 1 1 27 27 ILE CB C 27 37.187 37.187 38.767 -1.580 18712 8236 1 14 . 1 1 27 27 ILE H H 27 8.405 8.405 8.569 -0.164 18712 8237 1 14 . 1 1 28 28 THR N N 28 124.387 124.387 121.416 2.971 18712 8238 1 14 . 1 1 28 28 THR HA H 28 4.492 4.492 4.584 -0.092 18712 8239 1 14 . 1 1 28 28 THR CA C 28 59.687 59.687 60.744 -1.057 18712 8240 1 14 . 1 1 28 28 THR CB C 28 68.125 68.125 70.631 -2.506 18712 8241 1 14 . 1 1 28 28 THR H H 28 8.191 8.191 8.348 -0.157 18712 8242 1 14 . 1 1 29 29 ARG N N 29 120.568 120.568 120.251 0.317 18712 8243 1 14 . 1 1 29 29 ARG HA H 29 4.202 4.202 4.636 -0.434 18712 8244 1 14 . 1 1 29 29 ARG CA C 29 55.468 55.468 54.950 0.518 18712 8245 1 14 . 1 1 29 29 ARG CB C 29 32.266 32.266 31.110 1.156 18712 8246 1 14 . 1 1 29 29 ARG H H 29 7.995 7.995 8.479 -0.484 18712 8247 1 14 . 1 1 30 30 ASP N N 30 123.906 123.906 122.992 0.914 18712 8248 1 14 . 1 1 30 30 ASP HA H 30 4.619 4.619 4.719 -0.100 18712 8249 1 14 . 1 1 30 30 ASP CA C 30 53.359 53.359 53.848 -0.489 18712 8250 1 14 . 1 1 30 30 ASP CB C 30 38.594 38.594 42.167 -3.573 18712 8251 1 14 . 1 1 30 30 ASP H H 30 8.784 8.784 8.695 0.089 18712 8252 1 14 . 1 1 31 31 ILE N N 31 123.422 123.422 122.614 0.808 18712 8253 1 14 . 1 1 31 31 ILE HA H 31 4.063 4.063 4.510 -0.447 18712 8254 1 14 . 1 1 31 31 ILE CA C 31 57.578 57.578 56.652 0.926 18712 8255 1 14 . 1 1 31 31 ILE CB C 31 40.703 40.703 36.482 4.221 18712 8256 1 14 . 1 1 31 31 ILE H H 31 7.404 7.404 8.033 -0.629 18712 8257 1 14 . 1 1 32 32 PRO HA H 32 4.273 4.273 4.531 -0.258 18712 8258 1 14 . 1 1 32 32 PRO CA C 32 63.554 63.554 63.012 0.542 18712 8259 1 14 . 1 1 32 32 PRO CB C 32 32.266 32.266 32.556 -0.290 18712 8260 1 14 . 1 1 33 33 ASN N N 33 114.027 114.027 114.773 -0.746 18712 8261 1 14 . 1 1 33 33 ASN HA H 33 4.269 4.269 4.355 -0.086 18712 8262 1 14 . 1 1 33 33 ASN CA C 33 55.117 55.117 53.921 1.196 18712 8263 1 14 . 1 1 33 33 ASN CB C 33 37.891 37.891 37.082 0.809 18712 8264 1 14 . 1 1 33 33 ASN H H 33 8.880 8.880 8.653 0.227 18712 8265 1 14 . 1 1 34 34 VAL N N 34 117.111 117.111 120.332 -3.221 18712 8266 1 14 . 1 1 34 34 VAL HA H 34 4.249 4.249 4.205 0.044 18712 8267 1 14 . 1 1 34 34 VAL CA C 34 62.148 62.148 61.904 0.244 18712 8268 1 14 . 1 1 34 34 VAL CB C 34 33.672 33.672 33.274 0.398 18712 8269 1 14 . 1 1 34 34 VAL H H 34 7.328 7.328 7.532 -0.204 18712 8270 1 14 . 1 1 35 35 GLY N N 35 113.600 113.600 111.661 1.939 18712 8271 1 14 . 1 1 35 35 GLY CA C 35 44.219 44.219 44.217 0.002 18712 8272 1 14 . 1 1 35 35 GLY H H 35 8.653 8.653 8.220 0.433 18712 8273 1 14 . 1 1 36 36 GLU N N 36 118.562 118.562 119.262 -0.700 18712 8274 1 14 . 1 1 36 36 GLU HA H 36 3.888 3.888 4.113 -0.225 18712 8275 1 14 . 1 1 36 36 GLU CA C 36 59.687 59.687 58.483 1.204 18712 8276 1 14 . 1 1 36 36 GLU CB C 36 29.453 29.453 29.730 -0.277 18712 8277 1 14 . 1 1 36 36 GLU H H 36 8.457 8.457 8.703 -0.246 18712 8278 1 14 . 1 1 37 37 ASP N N 37 118.140 118.140 116.773 1.367 18712 8279 1 14 . 1 1 37 37 ASP HA H 37 4.335 4.335 4.469 -0.134 18712 8280 1 14 . 1 1 37 37 ASP CA C 37 56.875 56.875 55.778 1.097 18712 8281 1 14 . 1 1 37 37 ASP CB C 37 40.000 40.000 40.679 -0.679 18712 8282 1 14 . 1 1 37 37 ASP H H 37 8.728 8.728 8.044 0.684 18712 8283 1 14 . 1 1 38 38 ALA N N 38 120.752 120.752 121.634 -0.882 18712 8284 1 14 . 1 1 38 38 ALA HA H 38 4.288 4.288 4.295 -0.007 18712 8285 1 14 . 1 1 38 38 ALA CA C 38 53.359 53.359 54.280 -0.921 18712 8286 1 14 . 1 1 38 38 ALA CB C 38 18.555 18.555 18.759 -0.204 18712 8287 1 14 . 1 1 38 38 ALA H H 38 7.642 7.642 8.244 -0.602 18712 8288 1 14 . 1 1 39 39 LEU N N 39 117.015 117.015 112.214 4.801 18712 8289 1 14 . 1 1 39 39 LEU HA H 39 4.295 4.295 4.742 -0.447 18712 8290 1 14 . 1 1 39 39 LEU CA C 39 54.765 54.765 54.147 0.618 18712 8291 1 14 . 1 1 39 39 LEU CB C 39 43.164 43.164 41.377 1.786 18712 8292 1 14 . 1 1 39 39 LEU H H 39 7.446 7.446 7.249 0.197 18712 8293 1 14 . 1 1 40 40 ARG N N 40 118.017 118.017 119.208 -1.191 18712 8294 1 14 . 1 1 40 40 ARG HA H 40 4.064 4.064 4.118 -0.054 18712 8295 1 14 . 1 1 40 40 ARG CA C 40 59.687 59.687 58.353 1.334 18712 8296 1 14 . 1 1 40 40 ARG CB C 40 30.508 30.508 30.388 0.120 18712 8297 1 14 . 1 1 40 40 ARG H H 40 7.079 7.079 7.623 -0.544 18712 8298 1 14 . 1 1 41 41 ASN N N 41 115.439 115.439 116.358 -0.919 18712 8299 1 14 . 1 1 41 41 ASN HA H 41 4.996 4.996 4.708 0.288 18712 8300 1 14 . 1 1 41 41 ASN CA C 41 53.359 53.359 53.414 -0.055 18712 8301 1 14 . 1 1 41 41 ASN CB C 41 39.297 39.297 38.791 0.506 18712 8302 1 14 . 1 1 41 41 ASN H H 41 9.057 9.057 8.335 0.722 18712 8303 1 14 . 1 1 42 42 LEU N N 42 118.703 118.703 121.066 -2.363 18712 8304 1 14 . 1 1 42 42 LEU HA H 42 4.403 4.403 4.149 0.254 18712 8305 1 14 . 1 1 42 42 LEU CA C 42 54.062 54.062 56.327 -2.265 18712 8306 1 14 . 1 1 42 42 LEU CB C 42 42.812 42.812 42.562 0.249 18712 8307 1 14 . 1 1 42 42 LEU H H 42 7.719 7.719 7.869 -0.150 18712 8308 1 14 . 1 1 43 43 ASP N N 43 122.791 122.791 124.449 -1.658 18712 8309 1 14 . 1 1 43 43 ASP HA H 43 4.481 4.481 4.771 -0.290 18712 8310 1 14 . 1 1 43 43 ASP CA C 43 52.656 52.656 52.861 -0.205 18712 8311 1 14 . 1 1 43 43 ASP CB C 43 39.648 39.648 43.337 -3.689 18712 8312 1 14 . 1 1 43 43 ASP H H 43 8.933 8.933 7.978 0.955 18712 8313 1 14 . 1 1 44 44 ASP N N 44 114.917 114.917 119.875 -4.958 18712 8314 1 14 . 1 1 44 44 ASP HA H 44 4.278 4.278 4.561 -0.283 18712 8315 1 14 . 1 1 44 44 ASP CA C 44 56.875 56.875 56.011 0.864 18712 8316 1 14 . 1 1 44 44 ASP CB C 44 40.000 40.000 40.608 -0.609 18712 8317 1 14 . 1 1 44 44 ASP H H 44 8.281 8.281 8.778 -0.497 18712 8318 1 14 . 1 1 45 45 ARG N N 45 118.140 118.140 116.881 1.259 18712 8319 1 14 . 1 1 45 45 ARG HA H 45 4.366 4.366 4.308 0.058 18712 8320 1 14 . 1 1 45 45 ARG CA C 45 55.117 55.117 56.388 -1.270 18712 8321 1 14 . 1 1 45 45 ARG CB C 45 30.859 30.859 30.545 0.314 18712 8322 1 14 . 1 1 45 45 ARG H H 45 8.500 8.500 8.110 0.390 18712 8323 1 14 . 1 1 46 46 GLY N N 46 101.828 101.828 107.494 -5.666 18712 8324 1 14 . 1 1 46 46 GLY CA C 46 45.273 45.273 45.066 0.207 18712 8325 1 14 . 1 1 46 46 GLY H H 46 7.680 7.680 7.854 -0.174 18712 8326 1 14 . 1 1 47 47 VAL N N 47 119.955 119.955 117.757 2.198 18712 8327 1 14 . 1 1 47 47 VAL HA H 47 4.406 4.406 4.469 -0.063 18712 8328 1 14 . 1 1 47 47 VAL CA C 47 61.796 61.796 59.131 2.665 18712 8329 1 14 . 1 1 47 47 VAL CB C 47 33.672 33.672 33.822 -0.150 18712 8330 1 14 . 1 1 47 47 VAL H H 47 8.007 8.007 7.386 0.621 18712 8331 1 14 . 1 1 48 48 ILE N N 48 128.406 128.406 126.459 1.947 18712 8332 1 14 . 1 1 48 48 ILE HA H 48 4.202 4.202 3.994 0.208 18712 8333 1 14 . 1 1 48 48 ILE CA C 48 59.687 59.687 61.033 -1.346 18712 8334 1 14 . 1 1 48 48 ILE CB C 48 38.945 38.945 36.443 2.502 18712 8335 1 14 . 1 1 48 48 ILE H H 48 8.145 8.145 8.276 -0.131 18712 8336 1 14 . 1 1 49 49 ARG N N 49 123.765 123.765 126.656 -2.891 18712 8337 1 14 . 1 1 49 49 ARG HA H 49 4.328 4.328 4.301 0.027 18712 8338 1 14 . 1 1 49 49 ARG CA C 49 56.875 56.875 55.782 1.093 18712 8339 1 14 . 1 1 49 49 ARG CB C 49 31.563 31.563 31.749 -0.186 18712 8340 1 14 . 1 1 49 49 ARG H H 49 7.447 7.447 8.162 -0.715 18712 8341 1 14 . 1 1 50 50 ILE N N 50 121.094 121.094 120.438 0.656 18712 8342 1 14 . 1 1 50 50 ILE HA H 50 3.414 3.414 3.628 -0.214 18712 8343 1 14 . 1 1 50 50 ILE CA C 50 64.609 64.609 62.961 1.648 18712 8344 1 14 . 1 1 50 50 ILE H H 50 8.284 8.284 8.227 0.057 18712 8345 1 14 . 1 1 51 51 GLY N N 51 115.791 115.791 113.600 2.191 18712 8346 1 14 . 1 1 51 51 GLY CA C 51 44.922 44.922 45.005 -0.083 18712 8347 1 14 . 1 1 51 51 GLY H H 51 8.679 8.679 8.922 -0.243 18712 8348 1 14 . 1 1 52 52 ALA N N 52 122.065 122.065 123.243 -1.178 18712 8349 1 14 . 1 1 52 52 ALA HA H 52 4.246 4.246 4.615 -0.369 18712 8350 1 14 . 1 1 52 52 ALA CA C 52 52.656 52.656 50.760 1.896 18712 8351 1 14 . 1 1 52 52 ALA CB C 52 18.906 18.906 20.380 -1.474 18712 8352 1 14 . 1 1 52 52 ALA H H 52 7.496 7.496 7.504 -0.008 18712 8353 1 14 . 1 1 53 53 GLU N N 53 121.468 121.468 123.638 -2.170 18712 8354 1 14 . 1 1 53 53 GLU HA H 53 4.892 4.892 4.212 0.680 18712 8355 1 14 . 1 1 53 53 GLU CB C 53 30.508 30.508 30.142 0.366 18712 8356 1 14 . 1 1 53 53 GLU H H 53 8.427 8.427 8.577 -0.150 18712 8357 1 14 . 1 1 54 54 VAL N N 54 117.437 117.437 123.389 -5.952 18712 8358 1 14 . 1 1 54 54 VAL HA H 54 4.979 4.979 4.148 0.831 18712 8359 1 14 . 1 1 54 54 VAL CA C 54 58.632 58.632 61.457 -2.825 18712 8360 1 14 . 1 1 54 54 VAL CB C 54 35.781 35.781 32.679 3.102 18712 8361 1 14 . 1 1 54 54 VAL H H 54 9.002 9.002 8.234 0.768 18712 8362 1 14 . 1 1 55 55 LYS N N 55 123.906 123.906 122.880 1.026 18712 8363 1 14 . 1 1 55 55 LYS HA H 55 4.698 4.698 4.560 0.138 18712 8364 1 14 . 1 1 55 55 LYS CA C 55 53.359 53.359 55.048 -1.689 18712 8365 1 14 . 1 1 55 55 LYS CB C 55 35.781 35.781 34.622 1.159 18712 8366 1 14 . 1 1 55 55 LYS H H 55 9.244 9.244 7.897 1.347 18712 8367 1 14 . 1 1 56 56 ASP N N 56 118.562 118.562 120.763 -2.201 18712 8368 1 14 . 1 1 56 56 ASP HA H 56 3.764 3.764 4.309 -0.545 18712 8369 1 14 . 1 1 56 56 ASP CA C 56 56.172 56.172 56.656 -0.484 18712 8370 1 14 . 1 1 56 56 ASP CB C 56 40.000 40.000 40.974 -0.974 18712 8371 1 14 . 1 1 56 56 ASP H H 56 8.176 8.176 8.610 -0.434 18712 8372 1 14 . 1 1 57 57 GLY N N 57 112.515 112.515 114.116 -1.601 18712 8373 1 14 . 1 1 57 57 GLY CA C 57 45.625 45.625 45.093 0.532 18712 8374 1 14 . 1 1 57 57 GLY H H 57 8.841 8.841 8.913 -0.072 18712 8375 1 14 . 1 1 58 58 ASP N N 58 121.375 121.375 122.718 -1.343 18712 8376 1 14 . 1 1 58 58 ASP HA H 58 4.532 4.532 4.951 -0.419 18712 8377 1 14 . 1 1 58 58 ASP CA C 58 54.765 54.765 52.701 2.064 18712 8378 1 14 . 1 1 58 58 ASP CB C 58 41.055 41.055 40.457 0.598 18712 8379 1 14 . 1 1 58 58 ASP H H 58 8.209 8.209 7.875 0.334 18712 8380 1 14 . 1 1 59 59 LEU N N 59 119.828 119.828 123.222 -3.394 18712 8381 1 14 . 1 1 59 59 LEU HA H 59 3.976 3.976 4.267 -0.291 18712 8382 1 14 . 1 1 59 59 LEU CA C 59 56.875 56.875 54.335 2.540 18712 8383 1 14 . 1 1 59 59 LEU CB C 59 44.219 44.219 42.300 1.919 18712 8384 1 14 . 1 1 59 59 LEU H H 59 8.570 8.570 8.430 0.140 18712 8385 1 14 . 1 1 60 60 LEU N N 60 116.594 116.594 112.818 3.776 18712 8386 1 14 . 1 1 60 60 LEU HA H 60 4.518 4.518 3.979 0.539 18712 8387 1 14 . 1 1 60 60 LEU CB C 60 44.922 44.922 40.211 4.712 18712 8388 1 14 . 1 1 60 60 LEU H H 60 8.816 8.816 7.911 0.905 18712 8389 1 14 . 1 1 61 61 VAL N N 61 115.656 115.656 116.641 -0.985 18712 8390 1 14 . 1 1 61 61 VAL HA H 61 4.618 4.618 4.221 0.397 18712 8391 1 14 . 1 1 61 61 VAL CA C 61 61.093 61.093 61.345 -0.252 18712 8392 1 14 . 1 1 61 61 VAL CB C 61 36.484 36.484 35.222 1.262 18712 8393 1 14 . 1 1 61 61 VAL H H 61 7.322 7.322 7.332 -0.010 18712 8394 1 14 . 1 1 62 62 GLY N N 62 117.191 117.191 113.985 3.206 18712 8395 1 14 . 1 1 62 62 GLY CA C 62 45.625 45.625 44.454 1.171 18712 8396 1 14 . 1 1 62 62 GLY H H 62 9.563 9.563 8.293 1.270 18712 8397 1 14 . 1 1 63 63 LYS N N 63 127.584 127.584 125.933 1.651 18712 8398 1 14 . 1 1 63 63 LYS HA H 63 5.328 5.328 4.691 0.637 18712 8399 1 14 . 1 1 63 63 LYS CA C 63 56.172 56.172 55.492 0.680 18712 8400 1 14 . 1 1 63 63 LYS CB C 63 35.078 35.078 35.518 -0.440 18712 8401 1 14 . 1 1 63 63 LYS H H 63 8.712 8.712 7.938 0.774 18712 8402 1 14 . 1 1 64 64 VAL N N 64 114.383 114.383 122.118 -7.735 18712 8403 1 14 . 1 1 64 64 VAL HA H 64 5.523 5.523 4.835 0.688 18712 8404 1 14 . 1 1 64 64 VAL CA C 64 57.578 57.578 59.599 -2.021 18712 8405 1 14 . 1 1 64 64 VAL CB C 64 35.781 35.781 34.575 1.206 18712 8406 1 14 . 1 1 64 64 VAL H H 64 8.481 8.481 8.033 0.448 18712 8407 1 14 . 1 1 65 65 THR N N 65 118.431 118.431 116.233 2.198 18712 8408 1 14 . 1 1 65 65 THR HA H 65 4.602 4.602 4.926 -0.324 18712 8409 1 14 . 1 1 65 65 THR CA C 65 59.687 59.687 58.362 1.325 18712 8410 1 14 . 1 1 65 65 THR CB C 65 72.343 72.343 69.244 3.099 18712 8411 1 14 . 1 1 65 65 THR H H 65 8.637 8.637 8.055 0.582 18712 8412 1 14 . 1 1 66 66 PRO HA H 66 4.557 4.557 4.426 0.131 18712 8413 1 14 . 1 1 66 66 PRO CA C 66 63.906 63.906 62.694 1.212 18712 8414 1 14 . 1 1 66 66 PRO CB C 66 32.969 32.969 32.467 0.502 18712 8415 1 14 . 1 1 67 67 LYS N N 67 122.359 122.359 121.613 0.746 18712 8416 1 14 . 1 1 67 67 LYS HA H 67 4.391 4.391 4.607 -0.216 18712 8417 1 14 . 1 1 67 67 LYS CA C 67 56.172 56.172 54.941 1.231 18712 8418 1 14 . 1 1 67 67 LYS CB C 67 35.078 35.078 35.628 -0.550 18712 8419 1 14 . 1 1 67 67 LYS H H 67 8.371 8.371 7.982 0.389 18712 8420 1 14 . 1 1 68 68 GLY N N 68 109.563 109.563 106.572 2.991 18712 8421 1 14 . 1 1 68 68 GLY CA C 68 44.922 44.922 43.961 0.961 18712 8422 1 14 . 1 1 68 68 GLY H H 68 8.583 8.583 8.230 0.353 18712 8423 1 14 . 1 1 69 69 VAL N N 69 118.378 118.378 115.881 2.497 18712 8424 1 14 . 1 1 69 69 VAL HA H 69 4.032 4.032 4.186 -0.154 18712 8425 1 14 . 1 1 69 69 VAL CA C 69 63.203 63.203 63.997 -0.794 18712 8426 1 14 . 1 1 69 69 VAL CB C 69 32.266 32.266 32.359 -0.093 18712 8427 1 14 . 1 1 69 69 VAL H H 69 8.235 8.235 8.311 -0.076 18712 8428 1 14 . 1 1 70 70 THR N N 70 114.484 114.484 113.467 1.017 18712 8429 1 14 . 1 1 70 70 THR HA H 70 4.281 4.281 4.154 0.127 18712 8430 1 14 . 1 1 70 70 THR CA C 70 62.500 62.500 64.443 -1.943 18712 8431 1 14 . 1 1 70 70 THR CB C 70 69.531 69.531 68.858 0.673 18712 8432 1 14 . 1 1 70 70 THR H H 70 8.085 8.085 8.071 0.014 18712 8433 1 14 . 1 1 71 71 GLU N N 71 121.656 121.656 120.450 1.206 18712 8434 1 14 . 1 1 71 71 GLU HA H 71 4.325 4.325 4.558 -0.233 18712 8435 1 14 . 1 1 71 71 GLU CA C 71 56.172 56.172 55.230 0.942 18712 8436 1 14 . 1 1 71 71 GLU CB C 71 30.859 30.859 28.878 1.981 18712 8437 1 14 . 1 1 71 71 GLU H H 71 8.175 8.175 8.291 -0.116 18712 8438 1 14 . 1 1 72 72 LEU N N 72 122.219 122.219 120.849 1.370 18712 8439 1 14 . 1 1 72 72 LEU HA H 72 4.534 4.534 4.328 0.206 18712 8440 1 14 . 1 1 72 72 LEU CA C 72 54.765 54.765 55.363 -0.598 18712 8441 1 14 . 1 1 72 72 LEU CB C 72 42.812 42.812 42.944 -0.132 18712 8442 1 14 . 1 1 72 72 LEU H H 72 7.770 7.770 7.358 0.412 18712 8443 1 14 . 1 1 73 73 THR N N 73 114.407 114.407 110.655 3.752 18712 8444 1 14 . 1 1 73 73 THR HA H 73 4.405 4.405 4.429 -0.024 18712 8445 1 14 . 1 1 73 73 THR CA C 73 61.093 61.093 60.323 0.770 18712 8446 1 14 . 1 1 73 73 THR CB C 73 70.937 70.937 71.085 -0.148 18712 8447 1 14 . 1 1 73 73 THR H H 73 8.869 8.869 7.979 0.890 18712 8448 1 14 . 1 1 74 74 ALA N N 74 123.782 123.782 124.954 -1.172 18712 8449 1 14 . 1 1 74 74 ALA HA H 74 4.026 4.026 4.135 -0.109 18712 8450 1 14 . 1 1 74 74 ALA CA C 74 55.468 55.468 54.998 0.470 18712 8451 1 14 . 1 1 74 74 ALA CB C 74 18.203 18.203 18.398 -0.195 18712 8452 1 14 . 1 1 74 74 ALA H H 74 8.831 8.831 8.751 0.080 18712 8453 1 14 . 1 1 75 75 GLU N N 75 117.578 117.578 117.351 0.227 18712 8454 1 14 . 1 1 75 75 GLU HA H 75 4.043 4.043 4.169 -0.126 18712 8455 1 14 . 1 1 75 75 GLU CA C 75 59.687 59.687 59.128 0.559 18712 8456 1 14 . 1 1 75 75 GLU CB C 75 29.453 29.453 29.069 0.384 18712 8457 1 14 . 1 1 75 75 GLU H H 75 8.637 8.637 8.699 -0.062 18712 8458 1 14 . 1 1 76 76 GLU N N 76 120.042 120.042 119.727 0.315 18712 8459 1 14 . 1 1 76 76 GLU HA H 76 4.010 4.010 4.179 -0.169 18712 8460 1 14 . 1 1 76 76 GLU CA C 76 58.281 58.281 58.662 -0.381 18712 8461 1 14 . 1 1 76 76 GLU CB C 76 30.859 30.859 29.924 0.935 18712 8462 1 14 . 1 1 76 76 GLU H H 76 7.847 7.847 7.690 0.157 18712 8463 1 14 . 1 1 77 77 ARG N N 77 119.687 119.687 118.413 1.274 18712 8464 1 14 . 1 1 77 77 ARG HA H 77 3.975 3.975 4.033 -0.058 18712 8465 1 14 . 1 1 77 77 ARG CA C 77 58.984 58.984 59.206 -0.222 18712 8466 1 14 . 1 1 77 77 ARG CB C 77 30.156 30.156 29.927 0.229 18712 8467 1 14 . 1 1 77 77 ARG H H 77 8.452 8.452 8.586 -0.134 18712 8468 1 14 . 1 1 78 78 LEU N N 78 120.250 120.250 117.158 3.092 18712 8469 1 14 . 1 1 78 78 LEU HA H 78 4.210 4.210 4.401 -0.191 18712 8470 1 14 . 1 1 78 78 LEU CA C 78 56.875 56.875 57.098 -0.223 18712 8471 1 14 . 1 1 78 78 LEU CB C 78 42.109 42.109 41.895 0.214 18712 8472 1 14 . 1 1 78 78 LEU H H 78 7.685 7.685 7.422 0.263 18712 8473 1 14 . 1 1 79 79 LEU N N 79 119.265 119.265 119.894 -0.629 18712 8474 1 14 . 1 1 79 79 LEU HA H 79 4.208 4.208 3.914 0.294 18712 8475 1 14 . 1 1 79 79 LEU CA C 79 56.875 56.875 57.852 -0.977 18712 8476 1 14 . 1 1 79 79 LEU CB C 79 42.109 42.109 41.315 0.794 18712 8477 1 14 . 1 1 79 79 LEU H H 79 7.679 7.679 7.180 0.499 18712 8478 1 14 . 1 1 80 80 HIS N N 80 118.348 118.348 119.143 -0.795 18712 8479 1 14 . 1 1 80 80 HIS HA H 80 4.422 4.422 4.285 0.137 18712 8480 1 14 . 1 1 80 80 HIS CA C 80 57.578 57.578 59.933 -2.355 18712 8481 1 14 . 1 1 80 80 HIS CB C 80 30.156 30.156 29.861 0.294 18712 8482 1 14 . 1 1 80 80 HIS H H 80 8.127 8.127 8.022 0.105 18712 8483 1 14 . 1 1 81 81 ALA N N 81 122.359 122.359 121.029 1.330 18712 8484 1 14 . 1 1 81 81 ALA HA H 81 4.204 4.204 4.189 0.015 18712 8485 1 14 . 1 1 81 81 ALA CA C 81 54.062 54.062 54.361 -0.299 18712 8486 1 14 . 1 1 81 81 ALA CB C 81 18.906 18.906 18.286 0.620 18712 8487 1 14 . 1 1 81 81 ALA H H 81 7.908 7.908 7.730 0.178 18712 8488 1 14 . 1 1 82 82 ILE N N 82 117.705 117.705 118.482 -0.777 18712 8489 1 14 . 1 1 82 82 ILE HA H 82 3.972 3.972 3.764 0.208 18712 8490 1 14 . 1 1 82 82 ILE CA C 82 62.500 62.500 62.891 -0.391 18712 8491 1 14 . 1 1 82 82 ILE CB C 82 38.594 38.594 36.927 1.667 18712 8492 1 14 . 1 1 82 82 ILE H H 82 7.780 7.780 7.298 0.482 18712 8493 1 14 . 1 1 83 83 PHE N N 83 120.528 120.528 118.238 2.290 18712 8494 1 14 . 1 1 83 83 PHE HA H 83 4.633 4.633 4.337 0.296 18712 8495 1 14 . 1 1 83 83 PHE CA C 83 58.281 58.281 58.936 -0.655 18712 8496 1 14 . 1 1 83 83 PHE CB C 83 40.000 40.000 39.706 0.294 18712 8497 1 14 . 1 1 83 83 PHE H H 83 8.227 8.227 7.838 0.389 18712 8498 1 14 . 1 1 84 84 GLY N N 84 110.328 110.328 106.597 3.731 18712 8499 1 14 . 1 1 84 84 GLY CA C 84 45.625 45.625 45.489 0.136 18712 8500 1 14 . 1 1 84 84 GLY H H 84 8.157 8.157 8.035 0.122 18712 8501 1 14 . 1 1 85 85 GLU N N 85 120.975 120.975 117.857 3.118 18712 8502 1 14 . 1 1 85 85 GLU HA H 85 4.234 4.234 4.449 -0.215 18712 8503 1 14 . 1 1 85 85 GLU CA C 85 57.226 57.226 54.456 2.770 18712 8504 1 14 . 1 1 85 85 GLU CB C 85 30.156 30.156 33.461 -3.305 18712 8505 1 14 . 1 1 85 85 GLU H H 85 8.374 8.374 7.747 0.627 18712 8506 1 14 . 1 1 86 86 LYS N N 86 121.202 121.202 119.795 1.407 18712 8507 1 14 . 1 1 86 86 LYS HA H 86 4.291 4.291 4.335 -0.044 18712 8508 1 14 . 1 1 86 86 LYS CA C 86 56.172 56.172 56.627 -0.455 18712 8509 1 14 . 1 1 86 86 LYS CB C 86 32.969 32.969 32.509 0.460 18712 8510 1 14 . 1 1 86 86 LYS H H 86 8.230 8.230 8.257 -0.027 18712 8511 1 14 . 1 1 87 87 ALA N N 87 124.596 124.596 125.981 -1.385 18712 8512 1 14 . 1 1 87 87 ALA HA H 87 4.236 4.236 4.509 -0.273 18712 8513 1 14 . 1 1 87 87 ALA CA C 87 52.656 52.656 51.202 1.454 18712 8514 1 14 . 1 1 87 87 ALA CB C 87 19.610 19.610 20.836 -1.226 18712 8515 1 14 . 1 1 87 87 ALA H H 87 8.179 8.179 8.221 -0.042 18712 8516 1 14 . 1 1 88 88 ARG N N 88 120.688 120.688 119.924 0.764 18712 8517 1 14 . 1 1 88 88 ARG HA H 88 4.344 4.344 4.582 -0.238 18712 8518 1 14 . 1 1 88 88 ARG CA C 88 56.172 56.172 55.616 0.556 18712 8519 1 14 . 1 1 88 88 ARG CB C 88 30.859 30.859 31.477 -0.618 18712 8520 1 14 . 1 1 88 88 ARG H H 88 8.274 8.274 8.496 -0.222 18712 8521 1 14 . 1 1 89 89 GLU N N 89 124.469 124.469 123.603 0.866 18712 8522 1 14 . 1 1 89 89 GLU HA H 89 4.575 4.575 4.635 -0.060 18712 8523 1 14 . 1 1 89 89 GLU CA C 89 55.468 55.468 55.805 -0.337 18712 8524 1 14 . 1 1 89 89 GLU CB C 89 30.156 30.156 31.246 -1.090 18712 8525 1 14 . 1 1 89 89 GLU H H 89 8.632 8.632 8.641 -0.009 18712 8526 1 14 . 1 1 90 90 VAL N N 90 114.440 114.440 120.469 -6.029 18712 8527 1 14 . 1 1 90 90 VAL HA H 90 5.047 5.047 4.319 0.728 18712 8528 1 14 . 1 1 90 90 VAL CA C 90 58.984 58.984 60.249 -1.265 18712 8529 1 14 . 1 1 90 90 VAL CB C 90 36.484 36.484 35.486 0.998 18712 8530 1 14 . 1 1 90 90 VAL H H 90 8.246 8.246 8.413 -0.167 18712 8531 1 14 . 1 1 91 91 ARG N N 91 118.602 118.602 123.830 -5.228 18712 8532 1 14 . 1 1 91 91 ARG HA H 91 4.771 4.771 4.674 0.097 18712 8533 1 14 . 1 1 91 91 ARG CB C 91 33.672 33.672 32.850 0.822 18712 8534 1 14 . 1 1 91 91 ARG H H 91 9.062 9.062 9.136 -0.074 18712 8535 1 14 . 1 1 92 92 ASP N N 92 121.656 121.656 124.084 -2.428 18712 8536 1 14 . 1 1 92 92 ASP HA H 92 4.754 4.754 4.727 0.027 18712 8537 1 14 . 1 1 92 92 ASP CB C 92 41.406 41.406 40.194 1.212 18712 8538 1 14 . 1 1 92 92 ASP H H 92 8.770 8.770 8.545 0.225 18712 8539 1 14 . 1 1 93 93 THR N N 93 124.654 124.654 116.288 8.366 18712 8540 1 14 . 1 1 93 93 THR HA H 93 4.586 4.586 4.435 0.151 18712 8541 1 14 . 1 1 93 93 THR CA C 93 60.390 60.390 60.547 -0.157 18712 8542 1 14 . 1 1 93 93 THR CB C 93 66.718 66.718 69.186 -2.468 18712 8543 1 14 . 1 1 93 93 THR H H 93 9.253 9.253 8.082 1.171 18712 8544 1 14 . 1 1 94 94 SER N N 94 117.437 117.437 116.076 1.361 18712 8545 1 14 . 1 1 94 94 SER HA H 94 4.455 4.455 4.417 0.038 18712 8546 1 14 . 1 1 94 94 SER CA C 94 60.390 60.390 57.613 2.777 18712 8547 1 14 . 1 1 94 94 SER CB C 94 63.906 63.906 64.223 -0.317 18712 8548 1 14 . 1 1 94 94 SER H H 94 8.564 8.564 7.630 0.934 18712 8549 1 14 . 1 1 95 95 LEU N N 95 125.594 125.594 122.128 3.466 18712 8550 1 14 . 1 1 95 95 LEU HA H 95 4.684 4.684 4.405 0.279 18712 8551 1 14 . 1 1 95 95 LEU CB C 95 43.516 43.516 43.230 0.286 18712 8552 1 14 . 1 1 95 95 LEU H H 95 8.964 8.964 8.362 0.602 18712 8553 1 14 . 1 1 96 96 ARG N N 96 128.669 128.669 122.475 6.194 18712 8554 1 14 . 1 1 96 96 ARG HA H 96 5.061 5.061 4.532 0.529 18712 8555 1 14 . 1 1 96 96 ARG CA C 96 54.062 54.062 55.606 -1.544 18712 8556 1 14 . 1 1 96 96 ARG CB C 96 34.375 34.375 31.222 3.153 18712 8557 1 14 . 1 1 96 96 ARG H H 96 8.709 8.709 8.318 0.391 18712 8558 1 14 . 1 1 97 97 VAL N N 97 121.375 121.375 123.646 -2.271 18712 8559 1 14 . 1 1 97 97 VAL HA H 97 3.386 3.386 4.463 -1.077 18712 8560 1 14 . 1 1 97 97 VAL CA C 97 61.093 61.093 58.364 2.729 18712 8561 1 14 . 1 1 97 97 VAL CB C 97 32.266 32.266 34.930 -2.664 18712 8562 1 14 . 1 1 97 97 VAL H H 97 8.745 8.745 8.400 0.345 18712 8563 1 14 . 1 1 98 98 PRO HA H 98 4.543 4.543 4.593 -0.050 18712 8564 1 14 . 1 1 98 98 PRO CA C 98 62.500 62.500 62.119 0.381 18712 8565 1 14 . 1 1 98 98 PRO CB C 98 32.969 32.969 32.631 0.338 18712 8566 1 14 . 1 1 99 99 HIS N N 99 118.140 118.140 115.491 2.649 18712 8567 1 14 . 1 1 99 99 HIS HA H 99 4.272 4.272 4.542 -0.270 18712 8568 1 14 . 1 1 99 99 HIS CA C 99 58.281 58.281 56.670 1.611 18712 8569 1 14 . 1 1 99 99 HIS CB C 99 30.156 30.156 29.157 0.999 18712 8570 1 14 . 1 1 99 99 HIS H H 99 8.368 8.368 8.273 0.095 18712 8571 1 14 . 1 1 100 100 GLY N N 100 116.101 116.101 115.230 0.871 18712 8572 1 14 . 1 1 100 100 GLY CA C 100 45.625 45.625 45.381 0.244 18712 8573 1 14 . 1 1 100 100 GLY H H 100 9.411 9.411 8.894 0.517 18712 8574 1 14 . 1 1 101 101 GLY N N 101 108.798 108.798 109.627 -0.829 18712 8575 1 14 . 1 1 101 101 GLY CA C 101 45.625 45.625 45.587 0.038 18712 8576 1 14 . 1 1 101 101 GLY H H 101 8.399 8.399 7.899 0.500 18712 8577 1 14 . 1 1 102 102 GLY N N 102 105.967 105.967 108.525 -2.558 18712 8578 1 14 . 1 1 102 102 GLY CA C 102 45.625 45.625 45.430 0.195 18712 8579 1 14 . 1 1 102 102 GLY H H 102 8.310 8.310 8.378 -0.068 18712 8580 1 14 . 1 1 103 103 GLY N N 103 107.574 107.574 106.947 0.627 18712 8581 1 14 . 1 1 103 103 GLY CA C 103 46.328 46.328 43.688 2.640 18712 8582 1 14 . 1 1 103 103 GLY H H 103 8.075 8.075 7.527 0.548 18712 8583 1 14 . 1 1 104 104 ILE N N 104 122.219 122.219 118.465 3.754 18712 8584 1 14 . 1 1 104 104 ILE HA H 104 5.075 5.075 4.423 0.652 18712 8585 1 14 . 1 1 104 104 ILE CA C 104 58.281 58.281 60.201 -1.920 18712 8586 1 14 . 1 1 104 104 ILE CB C 104 40.703 40.703 42.628 -1.925 18712 8587 1 14 . 1 1 104 104 ILE H H 104 8.269 8.269 7.608 0.661 18712 8588 1 14 . 1 1 105 105 ILE N N 105 124.237 124.237 124.160 0.077 18712 8589 1 14 . 1 1 105 105 ILE HA H 105 4.312 4.312 4.278 0.034 18712 8590 1 14 . 1 1 105 105 ILE CA C 105 60.390 60.390 61.106 -0.716 18712 8591 1 14 . 1 1 105 105 ILE CB C 105 34.375 34.375 35.010 -0.635 18712 8592 1 14 . 1 1 105 105 ILE H H 105 8.965 8.965 8.326 0.639 18712 8593 1 14 . 1 1 106 106 HIS N N 106 135.053 135.053 128.873 6.180 18712 8594 1 14 . 1 1 106 106 HIS HA H 106 4.506 4.506 4.720 -0.214 18712 8595 1 14 . 1 1 106 106 HIS CA C 106 57.578 57.578 56.584 0.994 18712 8596 1 14 . 1 1 106 106 HIS CB C 106 33.672 33.672 31.710 1.962 18712 8597 1 14 . 1 1 106 106 HIS H H 106 9.604 9.604 8.544 1.060 18712 8598 1 14 . 1 1 107 107 ASP N N 107 112.528 112.528 118.921 -6.393 18712 8599 1 14 . 1 1 107 107 ASP HA H 107 4.707 4.707 4.747 -0.040 18712 8600 1 14 . 1 1 107 107 ASP CB C 107 42.812 42.812 45.328 -2.516 18712 8601 1 14 . 1 1 107 107 ASP H H 107 7.930 7.930 7.809 0.121 18712 8602 1 14 . 1 1 108 108 VAL N N 108 121.656 121.656 120.362 1.294 18712 8603 1 14 . 1 1 108 108 VAL HA H 108 5.028 5.028 4.487 0.541 18712 8604 1 14 . 1 1 108 108 VAL CA C 108 61.796 61.796 61.462 0.334 18712 8605 1 14 . 1 1 108 108 VAL CB C 108 36.484 36.484 34.816 1.668 18712 8606 1 14 . 1 1 108 108 VAL H H 108 8.325 8.325 8.385 -0.060 18712 8607 1 14 . 1 1 109 109 LYS N N 109 126.798 126.798 128.450 -1.652 18712 8608 1 14 . 1 1 109 109 LYS HA H 109 4.676 4.676 4.619 0.057 18712 8609 1 14 . 1 1 109 109 LYS CB C 109 37.187 37.187 34.576 2.611 18712 8610 1 14 . 1 1 109 109 LYS H H 109 9.417 9.417 8.410 1.007 18712 8611 1 14 . 1 1 110 110 VAL N N 110 121.892 121.892 123.347 -1.455 18712 8612 1 14 . 1 1 110 110 VAL HA H 110 4.676 4.676 4.363 0.313 18712 8613 1 14 . 1 1 110 110 VAL CB C 110 33.672 33.672 33.863 -0.191 18712 8614 1 14 . 1 1 110 110 VAL H H 110 8.206 8.206 8.141 0.065 18712 8615 1 14 . 1 1 111 111 PHE N N 111 126.578 126.578 127.828 -1.250 18712 8616 1 14 . 1 1 111 111 PHE HA H 111 4.995 4.995 4.882 0.113 18712 8617 1 14 . 1 1 111 111 PHE CA C 111 56.172 56.172 55.978 0.194 18712 8618 1 14 . 1 1 111 111 PHE CB C 111 42.109 42.109 41.388 0.721 18712 8619 1 14 . 1 1 111 111 PHE H H 111 9.459 9.459 9.090 0.369 18712 8620 1 14 . 1 1 112 112 ASN N N 112 121.797 121.797 120.259 1.538 18712 8621 1 14 . 1 1 112 112 ASN HA H 112 5.425 5.425 5.131 0.294 18712 8622 1 14 . 1 1 112 112 ASN CA C 112 52.656 52.656 52.059 0.597 18712 8623 1 14 . 1 1 112 112 ASN CB C 112 42.109 42.109 41.598 0.511 18712 8624 1 14 . 1 1 112 112 ASN H H 112 10.663 10.663 8.691 1.972 18712 8625 1 14 . 1 1 113 113 ARG N N 113 130.516 130.516 122.668 7.848 18712 8626 1 14 . 1 1 113 113 ARG HA H 113 4.435 4.435 4.272 0.163 18712 8627 1 14 . 1 1 113 113 ARG CA C 113 59.687 59.687 59.170 0.517 18712 8628 1 14 . 1 1 113 113 ARG CB C 113 30.859 30.859 29.645 1.214 18712 8629 1 14 . 1 1 113 113 ARG H H 113 9.138 9.138 8.897 0.241 18712 8630 1 14 . 1 1 114 114 GLU N N 114 119.008 119.008 119.786 -0.778 18712 8631 1 14 . 1 1 114 114 GLU HA H 114 4.142 4.142 4.081 0.061 18712 8632 1 14 . 1 1 114 114 GLU CA C 114 58.281 58.281 58.702 -0.421 18712 8633 1 14 . 1 1 114 114 GLU CB C 114 29.453 29.453 29.003 0.450 18712 8634 1 14 . 1 1 114 114 GLU H H 114 8.924 8.924 8.118 0.806 18712 8635 1 14 . 1 1 115 115 ASP N N 115 116.593 116.593 117.414 -0.821 18712 8636 1 14 . 1 1 115 115 ASP HA H 115 4.869 4.869 4.566 0.303 18712 8637 1 14 . 1 1 115 115 ASP CA C 115 54.062 54.062 54.381 -0.319 18712 8638 1 14 . 1 1 115 115 ASP CB C 115 42.109 42.109 41.472 0.637 18712 8639 1 14 . 1 1 115 115 ASP H H 115 7.356 7.356 7.808 -0.452 18712 8640 1 14 . 1 1 116 116 GLY N N 116 106.689 106.689 107.249 -0.560 18712 8641 1 14 . 1 1 116 116 GLY CA C 116 44.922 44.922 44.615 0.307 18712 8642 1 14 . 1 1 116 116 GLY H H 116 7.918 7.918 7.684 0.234 18712 8643 1 14 . 1 1 117 117 ASP N N 117 119.329 119.329 122.086 -2.757 18712 8644 1 14 . 1 1 117 117 ASP HA H 117 4.632 4.632 4.691 -0.059 18712 8645 1 14 . 1 1 117 117 ASP CA C 117 55.468 55.468 53.563 1.905 18712 8646 1 14 . 1 1 117 117 ASP CB C 117 41.406 41.406 40.997 0.409 18712 8647 1 14 . 1 1 117 117 ASP H H 117 7.220 7.220 7.897 -0.677 18712 8648 1 14 . 1 1 118 118 GLU N N 118 123.484 123.484 125.035 -1.551 18712 8649 1 14 . 1 1 118 118 GLU HA H 118 4.240 4.240 4.267 -0.027 18712 8650 1 14 . 1 1 118 118 GLU CA C 118 56.875 56.875 56.940 -0.064 18712 8651 1 14 . 1 1 118 118 GLU CB C 118 29.453 29.453 30.405 -0.952 18712 8652 1 14 . 1 1 118 118 GLU H H 118 8.626 8.626 8.476 0.150 18712 8653 1 14 . 1 1 119 119 LEU N N 119 129.139 129.139 126.238 2.901 18712 8654 1 14 . 1 1 119 119 LEU HA H 119 4.759 4.759 4.789 -0.030 18712 8655 1 14 . 1 1 119 119 LEU CB C 119 44.219 44.219 43.546 0.673 18712 8656 1 14 . 1 1 119 119 LEU H H 119 8.106 8.106 8.272 -0.166 18712 8657 1 14 . 1 1 120 120 PRO CB C 120 31.914 31.914 30.807 1.107 18712 8658 1 14 . 1 1 121 121 PRO HA H 121 4.269 4.269 4.345 -0.076 18712 8659 1 14 . 1 1 121 121 PRO CA C 121 63.906 63.906 63.778 0.128 18712 8660 1 14 . 1 1 121 121 PRO CB C 121 31.563 31.563 31.226 0.337 18712 8661 1 14 . 1 1 122 122 GLY N N 122 112.656 112.656 111.503 1.153 18712 8662 1 14 . 1 1 122 122 GLY CA C 122 45.625 45.625 44.873 0.752 18712 8663 1 14 . 1 1 122 122 GLY H H 122 8.827 8.827 8.657 0.170 18712 8664 1 14 . 1 1 123 123 VAL N N 123 119.406 119.406 119.852 -0.446 18712 8665 1 14 . 1 1 123 123 VAL HA H 123 4.017 4.017 4.694 -0.676 18712 8666 1 14 . 1 1 123 123 VAL CA C 123 62.851 62.851 61.422 1.429 18712 8667 1 14 . 1 1 123 123 VAL CB C 123 32.266 32.266 33.151 -0.885 18712 8668 1 14 . 1 1 123 123 VAL H H 123 7.845 7.845 7.438 0.407 18712 8669 1 14 . 1 1 124 124 ASN N N 124 124.609 124.609 119.976 4.633 18712 8670 1 14 . 1 1 124 124 ASN HA H 124 4.877 4.877 4.870 0.007 18712 8671 1 14 . 1 1 124 124 ASN CA C 124 54.765 54.765 53.093 1.672 18712 8672 1 14 . 1 1 124 124 ASN CB C 124 40.000 40.000 41.126 -1.125 18712 8673 1 14 . 1 1 124 124 ASN H H 124 9.206 9.206 8.661 0.545 18712 8674 1 14 . 1 1 125 125 GLN N N 125 117.959 117.959 115.018 2.941 18712 8675 1 14 . 1 1 125 125 GLN HA H 125 5.234 5.234 4.642 0.592 18712 8676 1 14 . 1 1 125 125 GLN CA C 125 56.172 56.172 55.257 0.915 18712 8677 1 14 . 1 1 125 125 GLN CB C 125 33.672 33.672 32.964 0.708 18712 8678 1 14 . 1 1 125 125 GLN H H 125 7.756 7.756 7.641 0.115 18712 8679 1 14 . 1 1 126 126 LEU N N 126 125.559 125.559 122.277 3.282 18712 8680 1 14 . 1 1 126 126 LEU HA H 126 5.261 5.261 4.966 0.295 18712 8681 1 14 . 1 1 126 126 LEU CA C 126 54.765 54.765 54.713 0.052 18712 8682 1 14 . 1 1 126 126 LEU CB C 126 47.734 47.734 45.923 1.811 18712 8683 1 14 . 1 1 126 126 LEU H H 126 8.866 8.866 8.223 0.643 18712 8684 1 14 . 1 1 127 127 VAL N N 127 126.578 126.578 125.080 1.498 18712 8685 1 14 . 1 1 127 127 VAL HA H 127 5.127 5.127 4.671 0.456 18712 8686 1 14 . 1 1 127 127 VAL CA C 127 60.390 60.390 60.981 -0.591 18712 8687 1 14 . 1 1 127 127 VAL CB C 127 35.078 35.078 35.707 -0.629 18712 8688 1 14 . 1 1 127 127 VAL H H 127 9.367 9.367 9.015 0.352 18712 8689 1 14 . 1 1 128 128 ARG N N 128 126.578 126.578 123.613 2.965 18712 8690 1 14 . 1 1 128 128 ARG HA H 128 5.259 5.259 5.150 0.109 18712 8691 1 14 . 1 1 128 128 ARG CA C 128 54.765 54.765 54.243 0.522 18712 8692 1 14 . 1 1 128 128 ARG CB C 128 33.672 33.672 34.577 -0.904 18712 8693 1 14 . 1 1 128 128 ARG H H 128 9.502 9.502 8.877 0.625 18712 8694 1 14 . 1 1 129 129 VAL N N 129 123.977 123.977 120.002 3.975 18712 8695 1 14 . 1 1 129 129 VAL HA H 129 4.489 4.489 4.463 0.026 18712 8696 1 14 . 1 1 129 129 VAL CA C 129 61.093 61.093 60.882 0.211 18712 8697 1 14 . 1 1 129 129 VAL CB C 129 35.078 35.078 34.112 0.966 18712 8698 1 14 . 1 1 129 129 VAL H H 129 9.051 9.051 8.125 0.926 18712 8699 1 14 . 1 1 130 130 TYR N N 130 124.673 124.673 122.449 2.224 18712 8700 1 14 . 1 1 130 130 TYR HA H 130 5.419 5.419 5.063 0.356 18712 8701 1 14 . 1 1 130 130 TYR CA C 130 56.172 56.172 56.541 -0.369 18712 8702 1 14 . 1 1 130 130 TYR CB C 130 39.297 39.297 40.404 -1.107 18712 8703 1 14 . 1 1 130 130 TYR H H 130 8.650 8.650 8.533 0.117 18712 8704 1 14 . 1 1 131 131 ILE N N 131 125.227 125.227 124.163 1.064 18712 8705 1 14 . 1 1 131 131 ILE HA H 131 4.869 4.869 4.721 0.148 18712 8706 1 14 . 1 1 131 131 ILE CB C 131 40.000 40.000 41.017 -1.017 18712 8707 1 14 . 1 1 131 131 ILE H H 131 9.509 9.509 8.927 0.582 18712 8708 1 14 . 1 1 132 132 VAL N N 132 126.859 126.859 124.771 2.088 18712 8709 1 14 . 1 1 132 132 VAL HA H 132 4.729 4.729 4.992 -0.263 18712 8710 1 14 . 1 1 132 132 VAL CA C 132 61.093 61.093 60.392 0.701 18712 8711 1 14 . 1 1 132 132 VAL CB C 132 33.672 33.672 33.171 0.501 18712 8712 1 14 . 1 1 132 132 VAL H H 132 9.606 9.606 7.981 1.625 18712 8713 1 14 . 1 1 133 133 GLN N N 133 128.406 128.406 126.232 2.174 18712 8714 1 14 . 1 1 133 133 GLN HA H 133 4.751 4.751 4.556 0.195 18712 8715 1 14 . 1 1 133 133 GLN CA C 133 54.765 54.765 54.349 0.416 18712 8716 1 14 . 1 1 133 133 GLN CB C 133 31.563 31.563 29.510 2.053 18712 8717 1 14 . 1 1 133 133 GLN H H 133 9.153 9.153 8.555 0.598 18712 8718 1 14 . 1 1 134 134 LYS N N 134 122.929 122.929 126.408 -3.479 18712 8719 1 14 . 1 1 134 134 LYS HA H 134 4.725 4.725 4.104 0.621 18712 8720 1 14 . 1 1 134 134 LYS CA C 134 56.172 56.172 57.163 -0.991 18712 8721 1 14 . 1 1 134 134 LYS CB C 134 33.320 33.320 32.708 0.612 18712 8722 1 14 . 1 1 134 134 LYS H H 134 8.561 8.561 8.667 -0.106 18712 8723 1 14 . 1 1 135 135 ARG N N 135 123.484 123.484 122.955 0.529 18712 8724 1 14 . 1 1 135 135 ARG HA H 135 4.503 4.503 4.492 0.011 18712 8725 1 14 . 1 1 135 135 ARG CA C 135 55.468 55.468 55.652 -0.184 18712 8726 1 14 . 1 1 135 135 ARG CB C 135 32.266 32.266 31.097 1.169 18712 8727 1 14 . 1 1 135 135 ARG H H 135 8.596 8.596 8.221 0.375 18712 8728 1 14 . 1 1 136 136 LYS N N 136 123.906 123.906 119.535 4.371 18712 8729 1 14 . 1 1 136 136 LYS HA H 136 4.467 4.467 4.294 0.173 18712 8730 1 14 . 1 1 136 136 LYS CA C 136 56.172 56.172 56.258 -0.086 18712 8731 1 14 . 1 1 136 136 LYS CB C 136 32.969 32.969 32.766 0.203 18712 8732 1 14 . 1 1 136 136 LYS H H 136 8.608 8.608 8.333 0.275 18712 8733 1 14 . 1 1 137 137 ILE N N 137 123.571 123.571 117.749 5.822 18712 8734 1 14 . 1 1 137 137 ILE HA H 137 4.184 4.184 3.916 0.268 18712 8735 1 14 . 1 1 137 137 ILE CA C 137 61.093 61.093 61.385 -0.292 18712 8736 1 14 . 1 1 137 137 ILE CB C 137 38.594 38.594 38.311 0.283 18712 8737 1 14 . 1 1 137 137 ILE H H 137 8.353 8.353 8.084 0.269 18712 8738 1 14 . 1 1 138 138 SER N N 138 119.547 119.547 117.579 1.968 18712 8739 1 14 . 1 1 138 138 SER HA H 138 4.503 4.503 4.258 0.245 18712 8740 1 14 . 1 1 138 138 SER CA C 138 58.281 58.281 59.337 -1.056 18712 8741 1 14 . 1 1 138 138 SER CB C 138 63.906 63.906 63.753 0.153 18712 8742 1 14 . 1 1 138 138 SER H H 138 8.410 8.410 8.110 0.300 18712 8743 1 14 . 1 1 139 139 GLU N N 139 123.281 123.281 126.227 -2.946 18712 8744 1 14 . 1 1 139 139 GLU HA H 139 4.307 4.307 4.126 0.181 18712 8745 1 14 . 1 1 139 139 GLU CA C 139 56.875 56.875 57.605 -0.730 18712 8746 1 14 . 1 1 139 139 GLU CB C 139 30.156 30.156 29.809 0.347 18712 8747 1 14 . 1 1 139 139 GLU H H 139 8.489 8.489 8.697 -0.208 18712 8748 1 14 . 1 1 140 140 GLY N N 140 109.792 109.792 107.966 1.826 18712 8749 1 14 . 1 1 140 140 GLY CA C 140 45.625 45.625 45.515 0.110 18712 8750 1 14 . 1 1 140 140 GLY H H 140 8.418 8.418 8.278 0.140 18712 8751 1 15 . 1 1 4 4 VAL N N 4 119.125 119.125 119.875 -0.750 18712 8752 1 15 . 1 1 4 4 VAL HA H 4 4.070 4.070 4.069 0.001 18712 8753 1 15 . 1 1 4 4 VAL CA C 4 62.500 62.500 61.369 1.131 18712 8754 1 15 . 1 1 4 4 VAL CB C 4 32.969 32.969 33.127 -0.158 18712 8755 1 15 . 1 1 4 4 VAL H H 4 7.998 7.998 7.949 0.049 18712 8756 1 15 . 1 1 5 5 TYR N N 5 122.640 122.640 124.517 -1.877 18712 8757 1 15 . 1 1 5 5 TYR HA H 5 4.674 4.674 4.916 -0.242 18712 8758 1 15 . 1 1 5 5 TYR CA C 5 58.281 58.281 56.536 1.745 18712 8759 1 15 . 1 1 5 5 TYR CB C 5 38.594 38.594 40.391 -1.797 18712 8760 1 15 . 1 1 5 5 TYR H H 5 8.305 8.305 8.276 0.029 18712 8761 1 15 . 1 1 6 6 THR N N 6 114.861 114.861 116.116 -1.255 18712 8762 1 15 . 1 1 6 6 THR HA H 6 4.548 4.548 4.396 0.152 18712 8763 1 15 . 1 1 6 6 THR CA C 6 61.796 61.796 61.814 -0.018 18712 8764 1 15 . 1 1 6 6 THR CB C 6 70.234 70.234 69.579 0.655 18712 8765 1 15 . 1 1 6 6 THR H H 6 8.003 8.003 8.424 -0.421 18712 8766 1 15 . 1 1 7 7 SER N N 7 118.140 118.140 118.127 0.013 18712 8767 1 15 . 1 1 7 7 SER HA H 7 4.600 4.600 4.648 -0.048 18712 8768 1 15 . 1 1 7 7 SER CA C 7 57.578 57.578 57.739 -0.161 18712 8769 1 15 . 1 1 7 7 SER CB C 7 64.609 64.609 64.226 0.383 18712 8770 1 15 . 1 1 7 7 SER H H 7 8.487 8.487 8.208 0.279 18712 8771 1 15 . 1 1 8 8 ILE N N 8 121.375 121.375 120.634 0.741 18712 8772 1 15 . 1 1 8 8 ILE HA H 8 4.627 4.627 4.290 0.337 18712 8773 1 15 . 1 1 8 8 ILE CA C 8 60.390 60.390 60.948 -0.558 18712 8774 1 15 . 1 1 8 8 ILE CB C 8 40.000 40.000 38.868 1.132 18712 8775 1 15 . 1 1 8 8 ILE H H 8 8.139 8.139 8.218 -0.079 18712 8776 1 15 . 1 1 9 9 HIS N N 9 125.734 125.734 124.182 1.552 18712 8777 1 15 . 1 1 9 9 HIS HA H 9 4.768 4.768 4.926 -0.158 18712 8778 1 15 . 1 1 9 9 HIS CB C 9 32.617 32.617 32.759 -0.142 18712 8779 1 15 . 1 1 9 9 HIS H H 9 8.743 8.743 8.479 0.264 18712 8780 1 15 . 1 1 10 10 ILE N N 10 125.875 125.875 120.482 5.393 18712 8781 1 15 . 1 1 10 10 ILE HA H 10 4.806 4.806 4.737 0.069 18712 8782 1 15 . 1 1 10 10 ILE CB C 10 39.297 39.297 41.755 -2.458 18712 8783 1 15 . 1 1 10 10 ILE H H 10 8.035 8.035 8.531 -0.496 18712 8784 1 15 . 1 1 11 11 GLU N N 11 129.438 129.438 125.966 3.472 18712 8785 1 15 . 1 1 11 11 GLU HA H 11 4.472 4.472 4.353 0.119 18712 8786 1 15 . 1 1 11 11 GLU CA C 11 54.062 54.062 55.468 -1.406 18712 8787 1 15 . 1 1 11 11 GLU CB C 11 32.617 32.617 31.576 1.041 18712 8788 1 15 . 1 1 11 11 GLU H H 11 8.934 8.934 8.903 0.031 18712 8789 1 15 . 1 1 12 12 GLU N N 12 123.983 123.983 121.502 2.481 18712 8790 1 15 . 1 1 12 12 GLU HA H 12 4.752 4.752 4.526 0.226 18712 8791 1 15 . 1 1 12 12 GLU CA C 12 54.062 54.062 55.284 -1.222 18712 8792 1 15 . 1 1 12 12 GLU CB C 12 32.617 32.617 31.229 1.388 18712 8793 1 15 . 1 1 12 12 GLU H H 12 8.192 8.192 8.213 -0.021 18712 8794 1 15 . 1 1 13 13 TYR N N 13 122.826 122.826 124.823 -1.997 18712 8795 1 15 . 1 1 13 13 TYR HA H 13 4.741 4.741 4.721 0.020 18712 8796 1 15 . 1 1 13 13 TYR CB C 13 42.812 42.812 41.394 1.418 18712 8797 1 15 . 1 1 13 13 TYR H H 13 8.926 8.926 8.363 0.563 18712 8798 1 15 . 1 1 14 14 GLU N N 14 119.329 119.329 121.702 -2.373 18712 8799 1 15 . 1 1 14 14 GLU HA H 14 5.647 5.647 4.784 0.863 18712 8800 1 15 . 1 1 14 14 GLU CA C 14 54.765 54.765 55.061 -0.296 18712 8801 1 15 . 1 1 14 14 GLU CB C 14 34.375 34.375 32.607 1.768 18712 8802 1 15 . 1 1 14 14 GLU H H 14 8.716 8.716 8.642 0.074 18712 8803 1 15 . 1 1 15 15 SER N N 15 116.172 116.172 120.271 -4.099 18712 8804 1 15 . 1 1 15 15 SER HA H 15 4.616 4.616 4.850 -0.234 18712 8805 1 15 . 1 1 15 15 SER CA C 15 57.578 57.578 57.718 -0.140 18712 8806 1 15 . 1 1 15 15 SER CB C 15 66.015 66.015 64.819 1.196 18712 8807 1 15 . 1 1 15 15 SER H H 15 8.922 8.922 8.769 0.153 18712 8808 1 15 . 1 1 16 16 GLU N N 16 125.172 125.172 123.492 1.680 18712 8809 1 15 . 1 1 16 16 GLU HA H 16 5.082 5.082 4.765 0.317 18712 8810 1 15 . 1 1 16 16 GLU CA C 16 54.062 54.062 54.425 -0.363 18712 8811 1 15 . 1 1 16 16 GLU CB C 16 32.969 32.969 32.953 0.016 18712 8812 1 15 . 1 1 16 16 GLU H H 16 8.587 8.587 8.297 0.290 18712 8813 1 15 . 1 1 17 17 ALA N N 17 124.890 124.890 127.330 -2.440 18712 8814 1 15 . 1 1 17 17 ALA HA H 17 4.969 4.969 4.344 0.625 18712 8815 1 15 . 1 1 17 17 ALA CA C 17 50.547 50.547 52.004 -1.457 18712 8816 1 15 . 1 1 17 17 ALA CB C 17 19.610 19.610 19.093 0.517 18712 8817 1 15 . 1 1 17 17 ALA H H 17 9.000 9.000 8.432 0.568 18712 8818 1 15 . 1 1 18 18 ARG N N 18 125.376 125.376 125.534 -0.158 18712 8819 1 15 . 1 1 18 18 ARG HA H 18 5.175 5.175 4.909 0.266 18712 8820 1 15 . 1 1 18 18 ARG CA C 18 54.765 54.765 54.891 -0.126 18712 8821 1 15 . 1 1 18 18 ARG CB C 18 34.375 34.375 31.233 3.142 18712 8822 1 15 . 1 1 18 18 ARG H H 18 9.624 9.624 8.057 1.567 18712 8823 1 15 . 1 1 19 19 ASP N N 19 119.828 119.828 124.134 -4.306 18712 8824 1 15 . 1 1 19 19 ASP HA H 19 4.685 4.685 4.432 0.253 18712 8825 1 15 . 1 1 19 19 ASP CA C 19 55.117 55.117 54.583 0.534 18712 8826 1 15 . 1 1 19 19 ASP CB C 19 41.406 41.406 41.088 0.318 18712 8827 1 15 . 1 1 19 19 ASP H H 19 8.420 8.420 8.369 0.051 18712 8828 1 15 . 1 1 20 20 THR N N 20 112.948 112.948 114.199 -1.251 18712 8829 1 15 . 1 1 20 20 THR HA H 20 4.979 4.979 4.389 0.590 18712 8830 1 15 . 1 1 20 20 THR CA C 20 60.390 60.390 60.564 -0.174 18712 8831 1 15 . 1 1 20 20 THR CB C 20 73.046 73.046 69.835 3.211 18712 8832 1 15 . 1 1 20 20 THR H H 20 7.602 7.602 7.969 -0.367 18712 8833 1 15 . 1 1 21 21 LYS HA H 21 4.146 4.146 4.400 -0.254 18712 8834 1 15 . 1 1 21 21 LYS CA C 21 58.984 58.984 57.742 1.242 18712 8835 1 15 . 1 1 21 21 LYS CB C 21 32.266 32.266 31.670 0.596 18712 8836 1 15 . 1 1 22 22 LEU N N 22 117.346 117.346 120.271 -2.925 18712 8837 1 15 . 1 1 22 22 LEU HA H 22 4.532 4.532 4.497 0.035 18712 8838 1 15 . 1 1 22 22 LEU CA C 22 54.062 54.062 54.487 -0.425 18712 8839 1 15 . 1 1 22 22 LEU CB C 22 42.812 42.812 41.790 1.022 18712 8840 1 15 . 1 1 22 22 LEU H H 22 7.848 7.848 7.429 0.419 18712 8841 1 15 . 1 1 23 23 GLY N N 23 108.437 108.437 109.577 -1.140 18712 8842 1 15 . 1 1 23 23 GLY CA C 23 43.516 43.516 44.321 -0.805 18712 8843 1 15 . 1 1 23 23 GLY H H 23 7.407 7.407 7.386 0.021 18712 8844 1 15 . 1 1 24 24 PRO HA H 24 4.894 4.894 4.610 0.284 18712 8845 1 15 . 1 1 24 24 PRO CA C 24 63.906 63.906 62.337 1.569 18712 8846 1 15 . 1 1 24 24 PRO CB C 24 31.563 31.563 33.324 -1.761 18712 8847 1 15 . 1 1 25 25 GLU N N 25 118.281 118.281 118.571 -0.290 18712 8848 1 15 . 1 1 25 25 GLU HA H 25 4.621 4.621 4.373 0.248 18712 8849 1 15 . 1 1 25 25 GLU CA C 25 56.523 56.523 57.116 -0.593 18712 8850 1 15 . 1 1 25 25 GLU CB C 25 32.266 32.266 30.641 1.625 18712 8851 1 15 . 1 1 25 25 GLU H H 25 8.341 8.341 8.912 -0.571 18712 8852 1 15 . 1 1 26 26 GLU N N 26 119.406 119.406 118.928 0.478 18712 8853 1 15 . 1 1 26 26 GLU HA H 26 4.710 4.710 4.384 0.326 18712 8854 1 15 . 1 1 26 26 GLU CA C 26 54.765 54.765 55.804 -1.039 18712 8855 1 15 . 1 1 26 26 GLU CB C 26 33.672 33.672 30.915 2.757 18712 8856 1 15 . 1 1 26 26 GLU H H 26 8.336 8.336 7.837 0.499 18712 8857 1 15 . 1 1 27 27 ILE N N 27 127.472 127.472 122.824 4.648 18712 8858 1 15 . 1 1 27 27 ILE HA H 27 5.009 5.009 4.172 0.837 18712 8859 1 15 . 1 1 27 27 ILE CA C 27 60.390 60.390 62.010 -1.620 18712 8860 1 15 . 1 1 27 27 ILE CB C 27 37.187 37.187 38.596 -1.409 18712 8861 1 15 . 1 1 27 27 ILE H H 27 8.405 8.405 8.451 -0.046 18712 8862 1 15 . 1 1 28 28 THR N N 28 124.387 124.387 121.215 3.172 18712 8863 1 15 . 1 1 28 28 THR HA H 28 4.492 4.492 4.605 -0.113 18712 8864 1 15 . 1 1 28 28 THR CA C 28 59.687 59.687 60.372 -0.685 18712 8865 1 15 . 1 1 28 28 THR CB C 28 68.125 68.125 71.010 -2.885 18712 8866 1 15 . 1 1 28 28 THR H H 28 8.191 8.191 8.215 -0.024 18712 8867 1 15 . 1 1 29 29 ARG N N 29 120.568 120.568 120.476 0.092 18712 8868 1 15 . 1 1 29 29 ARG HA H 29 4.202 4.202 4.673 -0.471 18712 8869 1 15 . 1 1 29 29 ARG CA C 29 55.468 55.468 55.026 0.442 18712 8870 1 15 . 1 1 29 29 ARG CB C 29 32.266 32.266 31.659 0.607 18712 8871 1 15 . 1 1 29 29 ARG H H 29 7.995 7.995 8.368 -0.373 18712 8872 1 15 . 1 1 30 30 ASP N N 30 123.906 123.906 123.711 0.195 18712 8873 1 15 . 1 1 30 30 ASP HA H 30 4.619 4.619 4.706 -0.087 18712 8874 1 15 . 1 1 30 30 ASP CA C 30 53.359 53.359 53.880 -0.521 18712 8875 1 15 . 1 1 30 30 ASP CB C 30 38.594 38.594 42.596 -4.002 18712 8876 1 15 . 1 1 30 30 ASP H H 30 8.784 8.784 8.610 0.174 18712 8877 1 15 . 1 1 31 31 ILE N N 31 123.422 123.422 124.166 -0.744 18712 8878 1 15 . 1 1 31 31 ILE HA H 31 4.063 4.063 4.470 -0.407 18712 8879 1 15 . 1 1 31 31 ILE CA C 31 57.578 57.578 56.666 0.912 18712 8880 1 15 . 1 1 31 31 ILE CB C 31 40.703 40.703 37.274 3.429 18712 8881 1 15 . 1 1 31 31 ILE H H 31 7.404 7.404 8.164 -0.760 18712 8882 1 15 . 1 1 32 32 PRO HA H 32 4.273 4.273 4.564 -0.291 18712 8883 1 15 . 1 1 32 32 PRO CA C 32 63.554 63.554 63.008 0.546 18712 8884 1 15 . 1 1 32 32 PRO CB C 32 32.266 32.266 32.475 -0.209 18712 8885 1 15 . 1 1 33 33 ASN N N 33 114.027 114.027 113.722 0.305 18712 8886 1 15 . 1 1 33 33 ASN HA H 33 4.269 4.269 4.316 -0.047 18712 8887 1 15 . 1 1 33 33 ASN CA C 33 55.117 55.117 54.207 0.910 18712 8888 1 15 . 1 1 33 33 ASN CB C 33 37.891 37.891 37.805 0.086 18712 8889 1 15 . 1 1 33 33 ASN H H 33 8.880 8.880 8.715 0.165 18712 8890 1 15 . 1 1 34 34 VAL N N 34 117.111 117.111 119.636 -2.525 18712 8891 1 15 . 1 1 34 34 VAL HA H 34 4.249 4.249 4.258 -0.009 18712 8892 1 15 . 1 1 34 34 VAL CA C 34 62.148 62.148 61.280 0.868 18712 8893 1 15 . 1 1 34 34 VAL CB C 34 33.672 33.672 33.134 0.538 18712 8894 1 15 . 1 1 34 34 VAL H H 34 7.328 7.328 7.497 -0.169 18712 8895 1 15 . 1 1 35 35 GLY N N 35 113.600 113.600 114.604 -1.004 18712 8896 1 15 . 1 1 35 35 GLY CA C 35 44.219 44.219 44.303 -0.084 18712 8897 1 15 . 1 1 35 35 GLY H H 35 8.653 8.653 8.353 0.300 18712 8898 1 15 . 1 1 36 36 GLU N N 36 118.562 118.562 119.666 -1.104 18712 8899 1 15 . 1 1 36 36 GLU HA H 36 3.888 3.888 4.042 -0.154 18712 8900 1 15 . 1 1 36 36 GLU CA C 36 59.687 59.687 59.103 0.584 18712 8901 1 15 . 1 1 36 36 GLU CB C 36 29.453 29.453 29.825 -0.372 18712 8902 1 15 . 1 1 36 36 GLU H H 36 8.457 8.457 8.845 -0.388 18712 8903 1 15 . 1 1 37 37 ASP N N 37 118.140 118.140 119.796 -1.656 18712 8904 1 15 . 1 1 37 37 ASP HA H 37 4.335 4.335 4.437 -0.102 18712 8905 1 15 . 1 1 37 37 ASP CA C 37 56.875 56.875 57.092 -0.217 18712 8906 1 15 . 1 1 37 37 ASP CB C 37 40.000 40.000 40.057 -0.057 18712 8907 1 15 . 1 1 37 37 ASP H H 37 8.728 8.728 8.585 0.143 18712 8908 1 15 . 1 1 38 38 ALA N N 38 120.752 120.752 118.919 1.833 18712 8909 1 15 . 1 1 38 38 ALA HA H 38 4.288 4.288 4.176 0.112 18712 8910 1 15 . 1 1 38 38 ALA CA C 38 53.359 53.359 54.373 -1.014 18712 8911 1 15 . 1 1 38 38 ALA CB C 38 18.555 18.555 18.903 -0.348 18712 8912 1 15 . 1 1 38 38 ALA H H 38 7.642 7.642 7.802 -0.160 18712 8913 1 15 . 1 1 39 39 LEU N N 39 117.015 117.015 111.843 5.172 18712 8914 1 15 . 1 1 39 39 LEU HA H 39 4.295 4.295 4.753 -0.458 18712 8915 1 15 . 1 1 39 39 LEU CA C 39 54.765 54.765 53.812 0.953 18712 8916 1 15 . 1 1 39 39 LEU CB C 39 43.164 43.164 41.687 1.477 18712 8917 1 15 . 1 1 39 39 LEU H H 39 7.446 7.446 7.254 0.192 18712 8918 1 15 . 1 1 40 40 ARG N N 40 118.017 118.017 119.885 -1.868 18712 8919 1 15 . 1 1 40 40 ARG HA H 40 4.064 4.064 3.997 0.067 18712 8920 1 15 . 1 1 40 40 ARG CA C 40 59.687 59.687 58.673 1.014 18712 8921 1 15 . 1 1 40 40 ARG CB C 40 30.508 30.508 30.026 0.482 18712 8922 1 15 . 1 1 40 40 ARG H H 40 7.079 7.079 7.786 -0.707 18712 8923 1 15 . 1 1 41 41 ASN N N 41 115.439 115.439 116.765 -1.326 18712 8924 1 15 . 1 1 41 41 ASN HA H 41 4.996 4.996 4.665 0.331 18712 8925 1 15 . 1 1 41 41 ASN CA C 41 53.359 53.359 53.971 -0.612 18712 8926 1 15 . 1 1 41 41 ASN CB C 41 39.297 39.297 38.434 0.864 18712 8927 1 15 . 1 1 41 41 ASN H H 41 9.057 9.057 8.425 0.632 18712 8928 1 15 . 1 1 42 42 LEU N N 42 118.703 118.703 120.568 -1.865 18712 8929 1 15 . 1 1 42 42 LEU HA H 42 4.403 4.403 4.111 0.292 18712 8930 1 15 . 1 1 42 42 LEU CA C 42 54.062 54.062 56.675 -2.613 18712 8931 1 15 . 1 1 42 42 LEU CB C 42 42.812 42.812 42.557 0.255 18712 8932 1 15 . 1 1 42 42 LEU H H 42 7.719 7.719 7.215 0.504 18712 8933 1 15 . 1 1 43 43 ASP N N 43 122.791 122.791 123.929 -1.138 18712 8934 1 15 . 1 1 43 43 ASP HA H 43 4.481 4.481 4.889 -0.408 18712 8935 1 15 . 1 1 43 43 ASP CA C 43 52.656 52.656 53.000 -0.344 18712 8936 1 15 . 1 1 43 43 ASP CB C 43 39.648 39.648 42.552 -2.904 18712 8937 1 15 . 1 1 43 43 ASP H H 43 8.933 8.933 7.857 1.076 18712 8938 1 15 . 1 1 44 44 ASP N N 44 114.917 114.917 119.518 -4.601 18712 8939 1 15 . 1 1 44 44 ASP HA H 44 4.278 4.278 4.464 -0.186 18712 8940 1 15 . 1 1 44 44 ASP CA C 44 56.875 56.875 56.470 0.405 18712 8941 1 15 . 1 1 44 44 ASP CB C 44 40.000 40.000 40.954 -0.954 18712 8942 1 15 . 1 1 44 44 ASP H H 44 8.281 8.281 8.648 -0.367 18712 8943 1 15 . 1 1 45 45 ARG N N 45 118.140 118.140 117.404 0.736 18712 8944 1 15 . 1 1 45 45 ARG HA H 45 4.366 4.366 4.283 0.083 18712 8945 1 15 . 1 1 45 45 ARG CA C 45 55.117 55.117 56.266 -1.149 18712 8946 1 15 . 1 1 45 45 ARG CB C 45 30.859 30.859 29.955 0.904 18712 8947 1 15 . 1 1 45 45 ARG H H 45 8.500 8.500 8.096 0.404 18712 8948 1 15 . 1 1 46 46 GLY N N 46 101.828 101.828 107.868 -6.040 18712 8949 1 15 . 1 1 46 46 GLY CA C 46 45.273 45.273 45.727 -0.454 18712 8950 1 15 . 1 1 46 46 GLY H H 46 7.680 7.680 7.943 -0.263 18712 8951 1 15 . 1 1 47 47 VAL N N 47 119.955 119.955 120.380 -0.425 18712 8952 1 15 . 1 1 47 47 VAL HA H 47 4.406 4.406 4.192 0.214 18712 8953 1 15 . 1 1 47 47 VAL CA C 47 61.796 61.796 59.614 2.182 18712 8954 1 15 . 1 1 47 47 VAL CB C 47 33.672 33.672 34.098 -0.426 18712 8955 1 15 . 1 1 47 47 VAL H H 47 8.007 8.007 7.386 0.621 18712 8956 1 15 . 1 1 48 48 ILE N N 48 128.406 128.406 123.700 4.706 18712 8957 1 15 . 1 1 48 48 ILE HA H 48 4.202 4.202 3.929 0.273 18712 8958 1 15 . 1 1 48 48 ILE CA C 48 59.687 59.687 60.863 -1.176 18712 8959 1 15 . 1 1 48 48 ILE CB C 48 38.945 38.945 36.903 2.042 18712 8960 1 15 . 1 1 48 48 ILE H H 48 8.145 8.145 8.414 -0.269 18712 8961 1 15 . 1 1 49 49 ARG N N 49 123.765 123.765 128.027 -4.262 18712 8962 1 15 . 1 1 49 49 ARG HA H 49 4.328 4.328 4.090 0.238 18712 8963 1 15 . 1 1 49 49 ARG CA C 49 56.875 56.875 56.811 0.064 18712 8964 1 15 . 1 1 49 49 ARG CB C 49 31.563 31.563 31.138 0.425 18712 8965 1 15 . 1 1 49 49 ARG H H 49 7.447 7.447 7.652 -0.205 18712 8966 1 15 . 1 1 50 50 ILE N N 50 121.094 121.094 119.688 1.406 18712 8967 1 15 . 1 1 50 50 ILE HA H 50 3.414 3.414 3.862 -0.448 18712 8968 1 15 . 1 1 50 50 ILE CA C 50 64.609 64.609 61.232 3.377 18712 8969 1 15 . 1 1 50 50 ILE H H 50 8.284 8.284 8.266 0.018 18712 8970 1 15 . 1 1 51 51 GLY N N 51 115.791 115.791 112.969 2.822 18712 8971 1 15 . 1 1 51 51 GLY CA C 51 44.922 44.922 45.196 -0.274 18712 8972 1 15 . 1 1 51 51 GLY H H 51 8.679 8.679 8.927 -0.248 18712 8973 1 15 . 1 1 52 52 ALA N N 52 122.065 122.065 122.691 -0.626 18712 8974 1 15 . 1 1 52 52 ALA HA H 52 4.246 4.246 4.577 -0.331 18712 8975 1 15 . 1 1 52 52 ALA CA C 52 52.656 52.656 50.713 1.943 18712 8976 1 15 . 1 1 52 52 ALA CB C 52 18.906 18.906 20.443 -1.537 18712 8977 1 15 . 1 1 52 52 ALA H H 52 7.496 7.496 7.548 -0.052 18712 8978 1 15 . 1 1 53 53 GLU N N 53 121.468 121.468 123.069 -1.601 18712 8979 1 15 . 1 1 53 53 GLU HA H 53 4.892 4.892 4.314 0.578 18712 8980 1 15 . 1 1 53 53 GLU CB C 53 30.508 30.508 30.763 -0.255 18712 8981 1 15 . 1 1 53 53 GLU H H 53 8.427 8.427 8.719 -0.292 18712 8982 1 15 . 1 1 54 54 VAL N N 54 117.437 117.437 123.423 -5.986 18712 8983 1 15 . 1 1 54 54 VAL HA H 54 4.979 4.979 4.045 0.934 18712 8984 1 15 . 1 1 54 54 VAL CA C 54 58.632 58.632 61.832 -3.200 18712 8985 1 15 . 1 1 54 54 VAL CB C 54 35.781 35.781 32.958 2.823 18712 8986 1 15 . 1 1 54 54 VAL H H 54 9.002 9.002 8.091 0.911 18712 8987 1 15 . 1 1 55 55 LYS N N 55 123.906 123.906 123.287 0.619 18712 8988 1 15 . 1 1 55 55 LYS HA H 55 4.698 4.698 4.490 0.208 18712 8989 1 15 . 1 1 55 55 LYS CA C 55 53.359 53.359 54.409 -1.050 18712 8990 1 15 . 1 1 55 55 LYS CB C 55 35.781 35.781 34.116 1.665 18712 8991 1 15 . 1 1 55 55 LYS H H 55 9.244 9.244 7.869 1.375 18712 8992 1 15 . 1 1 56 56 ASP N N 56 118.562 118.562 119.907 -1.345 18712 8993 1 15 . 1 1 56 56 ASP HA H 56 3.764 3.764 4.369 -0.605 18712 8994 1 15 . 1 1 56 56 ASP CA C 56 56.172 56.172 56.922 -0.750 18712 8995 1 15 . 1 1 56 56 ASP CB C 56 40.000 40.000 40.726 -0.726 18712 8996 1 15 . 1 1 56 56 ASP H H 56 8.176 8.176 8.433 -0.257 18712 8997 1 15 . 1 1 57 57 GLY N N 57 112.515 112.515 112.641 -0.126 18712 8998 1 15 . 1 1 57 57 GLY CA C 57 45.625 45.625 45.205 0.420 18712 8999 1 15 . 1 1 57 57 GLY H H 57 8.841 8.841 8.952 -0.111 18712 9000 1 15 . 1 1 58 58 ASP N N 58 121.375 121.375 121.523 -0.148 18712 9001 1 15 . 1 1 58 58 ASP HA H 58 4.532 4.532 4.830 -0.298 18712 9002 1 15 . 1 1 58 58 ASP CA C 58 54.765 54.765 52.386 2.380 18712 9003 1 15 . 1 1 58 58 ASP CB C 58 41.055 41.055 40.566 0.489 18712 9004 1 15 . 1 1 58 58 ASP H H 58 8.209 8.209 7.752 0.457 18712 9005 1 15 . 1 1 59 59 LEU N N 59 119.828 119.828 123.812 -3.984 18712 9006 1 15 . 1 1 59 59 LEU HA H 59 3.976 3.976 4.215 -0.239 18712 9007 1 15 . 1 1 59 59 LEU CA C 59 56.875 56.875 55.174 1.701 18712 9008 1 15 . 1 1 59 59 LEU CB C 59 44.219 44.219 42.547 1.672 18712 9009 1 15 . 1 1 59 59 LEU H H 59 8.570 8.570 8.349 0.221 18712 9010 1 15 . 1 1 60 60 LEU N N 60 116.594 116.594 114.018 2.576 18712 9011 1 15 . 1 1 60 60 LEU HA H 60 4.518 4.518 3.952 0.566 18712 9012 1 15 . 1 1 60 60 LEU CB C 60 44.922 44.922 40.111 4.811 18712 9013 1 15 . 1 1 60 60 LEU H H 60 8.816 8.816 7.556 1.260 18712 9014 1 15 . 1 1 61 61 VAL N N 61 115.656 115.656 115.967 -0.311 18712 9015 1 15 . 1 1 61 61 VAL HA H 61 4.618 4.618 4.190 0.428 18712 9016 1 15 . 1 1 61 61 VAL CA C 61 61.093 61.093 60.377 0.716 18712 9017 1 15 . 1 1 61 61 VAL CB C 61 36.484 36.484 35.289 1.195 18712 9018 1 15 . 1 1 61 61 VAL H H 61 7.322 7.322 7.252 0.070 18712 9019 1 15 . 1 1 62 62 GLY N N 62 117.191 117.191 113.852 3.339 18712 9020 1 15 . 1 1 62 62 GLY CA C 62 45.625 45.625 44.563 1.062 18712 9021 1 15 . 1 1 62 62 GLY H H 62 9.563 9.563 8.602 0.961 18712 9022 1 15 . 1 1 63 63 LYS N N 63 127.584 127.584 127.408 0.176 18712 9023 1 15 . 1 1 63 63 LYS HA H 63 5.328 5.328 4.659 0.669 18712 9024 1 15 . 1 1 63 63 LYS CA C 63 56.172 56.172 55.326 0.846 18712 9025 1 15 . 1 1 63 63 LYS CB C 63 35.078 35.078 35.902 -0.824 18712 9026 1 15 . 1 1 63 63 LYS H H 63 8.712 8.712 8.064 0.648 18712 9027 1 15 . 1 1 64 64 VAL N N 64 114.383 114.383 122.076 -7.693 18712 9028 1 15 . 1 1 64 64 VAL HA H 64 5.523 5.523 4.808 0.715 18712 9029 1 15 . 1 1 64 64 VAL CA C 64 57.578 57.578 60.474 -2.896 18712 9030 1 15 . 1 1 64 64 VAL CB C 64 35.781 35.781 35.024 0.757 18712 9031 1 15 . 1 1 64 64 VAL H H 64 8.481 8.481 8.124 0.357 18712 9032 1 15 . 1 1 65 65 THR N N 65 118.431 118.431 115.868 2.563 18712 9033 1 15 . 1 1 65 65 THR HA H 65 4.602 4.602 4.936 -0.334 18712 9034 1 15 . 1 1 65 65 THR CA C 65 59.687 59.687 58.465 1.222 18712 9035 1 15 . 1 1 65 65 THR CB C 65 72.343 72.343 68.737 3.606 18712 9036 1 15 . 1 1 65 65 THR H H 65 8.637 8.637 8.017 0.620 18712 9037 1 15 . 1 1 66 66 PRO HA H 66 4.557 4.557 4.396 0.161 18712 9038 1 15 . 1 1 66 66 PRO CA C 66 63.906 63.906 62.714 1.192 18712 9039 1 15 . 1 1 66 66 PRO CB C 66 32.969 32.969 32.514 0.455 18712 9040 1 15 . 1 1 67 67 LYS N N 67 122.359 122.359 120.089 2.270 18712 9041 1 15 . 1 1 67 67 LYS HA H 67 4.391 4.391 4.445 -0.054 18712 9042 1 15 . 1 1 67 67 LYS CA C 67 56.172 56.172 55.212 0.960 18712 9043 1 15 . 1 1 67 67 LYS CB C 67 35.078 35.078 33.881 1.197 18712 9044 1 15 . 1 1 67 67 LYS H H 67 8.371 8.371 7.916 0.455 18712 9045 1 15 . 1 1 68 68 GLY N N 68 109.563 109.563 107.845 1.718 18712 9046 1 15 . 1 1 68 68 GLY CA C 68 44.922 44.922 44.682 0.240 18712 9047 1 15 . 1 1 68 68 GLY H H 68 8.583 8.583 8.015 0.568 18712 9048 1 15 . 1 1 69 69 VAL N N 69 118.378 118.378 114.940 3.438 18712 9049 1 15 . 1 1 69 69 VAL HA H 69 4.032 4.032 4.274 -0.242 18712 9050 1 15 . 1 1 69 69 VAL CA C 69 63.203 63.203 64.490 -1.287 18712 9051 1 15 . 1 1 69 69 VAL CB C 69 32.266 32.266 32.303 -0.037 18712 9052 1 15 . 1 1 69 69 VAL H H 69 8.235 8.235 8.210 0.025 18712 9053 1 15 . 1 1 70 70 THR N N 70 114.484 114.484 114.511 -0.027 18712 9054 1 15 . 1 1 70 70 THR HA H 70 4.281 4.281 4.328 -0.047 18712 9055 1 15 . 1 1 70 70 THR CA C 70 62.500 62.500 63.589 -1.089 18712 9056 1 15 . 1 1 70 70 THR CB C 70 69.531 69.531 68.786 0.745 18712 9057 1 15 . 1 1 70 70 THR H H 70 8.085 8.085 7.757 0.328 18712 9058 1 15 . 1 1 71 71 GLU N N 71 121.656 121.656 120.448 1.208 18712 9059 1 15 . 1 1 71 71 GLU HA H 71 4.325 4.325 4.158 0.167 18712 9060 1 15 . 1 1 71 71 GLU CA C 71 56.172 56.172 57.526 -1.354 18712 9061 1 15 . 1 1 71 71 GLU CB C 71 30.859 30.859 29.528 1.331 18712 9062 1 15 . 1 1 71 71 GLU H H 71 8.175 8.175 8.168 0.007 18712 9063 1 15 . 1 1 72 72 LEU N N 72 122.219 122.219 117.963 4.256 18712 9064 1 15 . 1 1 72 72 LEU HA H 72 4.534 4.534 4.145 0.389 18712 9065 1 15 . 1 1 72 72 LEU CA C 72 54.765 54.765 56.009 -1.244 18712 9066 1 15 . 1 1 72 72 LEU CB C 72 42.812 42.812 42.496 0.316 18712 9067 1 15 . 1 1 72 72 LEU H H 72 7.770 7.770 7.682 0.088 18712 9068 1 15 . 1 1 73 73 THR N N 73 114.407 114.407 111.572 2.835 18712 9069 1 15 . 1 1 73 73 THR HA H 73 4.405 4.405 4.630 -0.225 18712 9070 1 15 . 1 1 73 73 THR CA C 73 61.093 61.093 59.397 1.696 18712 9071 1 15 . 1 1 73 73 THR CB C 73 70.937 70.937 71.630 -0.693 18712 9072 1 15 . 1 1 73 73 THR H H 73 8.869 8.869 8.045 0.824 18712 9073 1 15 . 1 1 74 74 ALA N N 74 123.782 123.782 121.626 2.156 18712 9074 1 15 . 1 1 74 74 ALA HA H 74 4.026 4.026 4.121 -0.095 18712 9075 1 15 . 1 1 74 74 ALA CA C 74 55.468 55.468 55.048 0.420 18712 9076 1 15 . 1 1 74 74 ALA CB C 74 18.203 18.203 18.373 -0.170 18712 9077 1 15 . 1 1 74 74 ALA H H 74 8.831 8.831 8.788 0.043 18712 9078 1 15 . 1 1 75 75 GLU N N 75 117.578 117.578 117.840 -0.262 18712 9079 1 15 . 1 1 75 75 GLU HA H 75 4.043 4.043 4.055 -0.012 18712 9080 1 15 . 1 1 75 75 GLU CA C 75 59.687 59.687 58.956 0.731 18712 9081 1 15 . 1 1 75 75 GLU CB C 75 29.453 29.453 29.024 0.429 18712 9082 1 15 . 1 1 75 75 GLU H H 75 8.637 8.637 7.995 0.642 18712 9083 1 15 . 1 1 76 76 GLU N N 76 120.042 120.042 119.217 0.825 18712 9084 1 15 . 1 1 76 76 GLU HA H 76 4.010 4.010 4.205 -0.195 18712 9085 1 15 . 1 1 76 76 GLU CA C 76 58.281 58.281 58.696 -0.415 18712 9086 1 15 . 1 1 76 76 GLU CB C 76 30.859 30.859 29.295 1.564 18712 9087 1 15 . 1 1 76 76 GLU H H 76 7.847 7.847 7.711 0.136 18712 9088 1 15 . 1 1 77 77 ARG N N 77 119.687 119.687 119.663 0.024 18712 9089 1 15 . 1 1 77 77 ARG HA H 77 3.975 3.975 4.108 -0.133 18712 9090 1 15 . 1 1 77 77 ARG CA C 77 58.984 58.984 59.344 -0.360 18712 9091 1 15 . 1 1 77 77 ARG CB C 77 30.156 30.156 30.318 -0.162 18712 9092 1 15 . 1 1 77 77 ARG H H 77 8.452 8.452 7.661 0.791 18712 9093 1 15 . 1 1 78 78 LEU N N 78 120.250 120.250 118.692 1.558 18712 9094 1 15 . 1 1 78 78 LEU HA H 78 4.210 4.210 4.286 -0.076 18712 9095 1 15 . 1 1 78 78 LEU CA C 78 56.875 56.875 57.700 -0.825 18712 9096 1 15 . 1 1 78 78 LEU CB C 78 42.109 42.109 41.375 0.734 18712 9097 1 15 . 1 1 78 78 LEU H H 78 7.685 7.685 7.827 -0.142 18712 9098 1 15 . 1 1 79 79 LEU N N 79 119.265 119.265 119.288 -0.023 18712 9099 1 15 . 1 1 79 79 LEU HA H 79 4.208 4.208 3.987 0.221 18712 9100 1 15 . 1 1 79 79 LEU CA C 79 56.875 56.875 57.413 -0.538 18712 9101 1 15 . 1 1 79 79 LEU CB C 79 42.109 42.109 41.204 0.905 18712 9102 1 15 . 1 1 79 79 LEU H H 79 7.679 7.679 7.732 -0.053 18712 9103 1 15 . 1 1 80 80 HIS N N 80 118.348 118.348 119.334 -0.986 18712 9104 1 15 . 1 1 80 80 HIS HA H 80 4.422 4.422 4.311 0.111 18712 9105 1 15 . 1 1 80 80 HIS CA C 80 57.578 57.578 59.357 -1.779 18712 9106 1 15 . 1 1 80 80 HIS CB C 80 30.156 30.156 29.546 0.610 18712 9107 1 15 . 1 1 80 80 HIS H H 80 8.127 8.127 7.701 0.426 18712 9108 1 15 . 1 1 81 81 ALA N N 81 122.359 122.359 121.368 0.991 18712 9109 1 15 . 1 1 81 81 ALA HA H 81 4.204 4.204 3.991 0.213 18712 9110 1 15 . 1 1 81 81 ALA CA C 81 54.062 54.062 54.445 -0.383 18712 9111 1 15 . 1 1 81 81 ALA CB C 81 18.906 18.906 17.942 0.965 18712 9112 1 15 . 1 1 81 81 ALA H H 81 7.908 7.908 7.745 0.163 18712 9113 1 15 . 1 1 82 82 ILE N N 82 117.705 117.705 117.788 -0.083 18712 9114 1 15 . 1 1 82 82 ILE HA H 82 3.972 3.972 3.822 0.150 18712 9115 1 15 . 1 1 82 82 ILE CA C 82 62.500 62.500 63.261 -0.761 18712 9116 1 15 . 1 1 82 82 ILE CB C 82 38.594 38.594 37.031 1.563 18712 9117 1 15 . 1 1 82 82 ILE H H 82 7.780 7.780 7.230 0.550 18712 9118 1 15 . 1 1 83 83 PHE N N 83 120.528 120.528 118.570 1.958 18712 9119 1 15 . 1 1 83 83 PHE HA H 83 4.633 4.633 4.406 0.227 18712 9120 1 15 . 1 1 83 83 PHE CA C 83 58.281 58.281 59.839 -1.558 18712 9121 1 15 . 1 1 83 83 PHE CB C 83 40.000 40.000 39.547 0.453 18712 9122 1 15 . 1 1 83 83 PHE H H 83 8.227 8.227 8.059 0.168 18712 9123 1 15 . 1 1 84 84 GLY N N 84 110.328 110.328 105.801 4.527 18712 9124 1 15 . 1 1 84 84 GLY CA C 84 45.625 45.625 45.330 0.295 18712 9125 1 15 . 1 1 84 84 GLY H H 84 8.157 8.157 8.105 0.052 18712 9126 1 15 . 1 1 85 85 GLU N N 85 120.975 120.975 119.900 1.075 18712 9127 1 15 . 1 1 85 85 GLU HA H 85 4.234 4.234 4.765 -0.531 18712 9128 1 15 . 1 1 85 85 GLU CA C 85 57.226 57.226 55.035 2.191 18712 9129 1 15 . 1 1 85 85 GLU CB C 85 30.156 30.156 32.968 -2.812 18712 9130 1 15 . 1 1 85 85 GLU H H 85 8.374 8.374 8.148 0.226 18712 9131 1 15 . 1 1 86 86 LYS N N 86 121.202 121.202 122.418 -1.216 18712 9132 1 15 . 1 1 86 86 LYS HA H 86 4.291 4.291 4.388 -0.097 18712 9133 1 15 . 1 1 86 86 LYS CA C 86 56.172 56.172 56.754 -0.582 18712 9134 1 15 . 1 1 86 86 LYS CB C 86 32.969 32.969 32.667 0.302 18712 9135 1 15 . 1 1 86 86 LYS H H 86 8.230 8.230 8.435 -0.205 18712 9136 1 15 . 1 1 87 87 ALA N N 87 124.596 124.596 126.966 -2.370 18712 9137 1 15 . 1 1 87 87 ALA HA H 87 4.236 4.236 4.518 -0.282 18712 9138 1 15 . 1 1 87 87 ALA CA C 87 52.656 52.656 51.200 1.456 18712 9139 1 15 . 1 1 87 87 ALA CB C 87 19.610 19.610 20.294 -0.684 18712 9140 1 15 . 1 1 87 87 ALA H H 87 8.179 8.179 8.333 -0.154 18712 9141 1 15 . 1 1 88 88 ARG N N 88 120.688 120.688 124.014 -3.326 18712 9142 1 15 . 1 1 88 88 ARG HA H 88 4.344 4.344 4.129 0.215 18712 9143 1 15 . 1 1 88 88 ARG CA C 88 56.172 56.172 56.577 -0.405 18712 9144 1 15 . 1 1 88 88 ARG CB C 88 30.859 30.859 30.515 0.344 18712 9145 1 15 . 1 1 88 88 ARG H H 88 8.274 8.274 8.488 -0.214 18712 9146 1 15 . 1 1 89 89 GLU N N 89 124.469 124.469 124.091 0.378 18712 9147 1 15 . 1 1 89 89 GLU HA H 89 4.575 4.575 4.654 -0.079 18712 9148 1 15 . 1 1 89 89 GLU CA C 89 55.468 55.468 55.508 -0.040 18712 9149 1 15 . 1 1 89 89 GLU CB C 89 30.156 30.156 31.863 -1.707 18712 9150 1 15 . 1 1 89 89 GLU H H 89 8.632 8.632 8.510 0.122 18712 9151 1 15 . 1 1 90 90 VAL N N 90 114.440 114.440 117.302 -2.862 18712 9152 1 15 . 1 1 90 90 VAL HA H 90 5.047 5.047 4.810 0.237 18712 9153 1 15 . 1 1 90 90 VAL CA C 90 58.984 58.984 59.314 -0.330 18712 9154 1 15 . 1 1 90 90 VAL CB C 90 36.484 36.484 34.694 1.790 18712 9155 1 15 . 1 1 90 90 VAL H H 90 8.246 8.246 8.338 -0.092 18712 9156 1 15 . 1 1 91 91 ARG N N 91 118.602 118.602 120.764 -2.162 18712 9157 1 15 . 1 1 91 91 ARG HA H 91 4.771 4.771 4.542 0.229 18712 9158 1 15 . 1 1 91 91 ARG CB C 91 33.672 33.672 32.655 1.017 18712 9159 1 15 . 1 1 91 91 ARG H H 91 9.062 9.062 8.487 0.575 18712 9160 1 15 . 1 1 92 92 ASP N N 92 121.656 121.656 124.929 -3.273 18712 9161 1 15 . 1 1 92 92 ASP HA H 92 4.754 4.754 4.590 0.164 18712 9162 1 15 . 1 1 92 92 ASP CB C 92 41.406 41.406 39.589 1.817 18712 9163 1 15 . 1 1 92 92 ASP H H 92 8.770 8.770 8.682 0.088 18712 9164 1 15 . 1 1 93 93 THR N N 93 124.654 124.654 112.165 12.489 18712 9165 1 15 . 1 1 93 93 THR HA H 93 4.586 4.586 4.330 0.256 18712 9166 1 15 . 1 1 93 93 THR CA C 93 60.390 60.390 61.429 -1.039 18712 9167 1 15 . 1 1 93 93 THR CB C 93 66.718 66.718 69.547 -2.829 18712 9168 1 15 . 1 1 93 93 THR H H 93 9.253 9.253 7.913 1.340 18712 9169 1 15 . 1 1 94 94 SER N N 94 117.437 117.437 117.929 -0.492 18712 9170 1 15 . 1 1 94 94 SER HA H 94 4.455 4.455 4.247 0.208 18712 9171 1 15 . 1 1 94 94 SER CA C 94 60.390 60.390 59.758 0.631 18712 9172 1 15 . 1 1 94 94 SER CB C 94 63.906 63.906 64.051 -0.145 18712 9173 1 15 . 1 1 94 94 SER H H 94 8.564 8.564 7.648 0.916 18712 9174 1 15 . 1 1 95 95 LEU N N 95 125.594 125.594 117.592 8.002 18712 9175 1 15 . 1 1 95 95 LEU HA H 95 4.684 4.684 4.526 0.158 18712 9176 1 15 . 1 1 95 95 LEU CB C 95 43.516 43.516 43.081 0.435 18712 9177 1 15 . 1 1 95 95 LEU H H 95 8.964 8.964 8.291 0.673 18712 9178 1 15 . 1 1 96 96 ARG N N 96 128.669 128.669 122.684 5.985 18712 9179 1 15 . 1 1 96 96 ARG HA H 96 5.061 5.061 4.477 0.584 18712 9180 1 15 . 1 1 96 96 ARG CA C 96 54.062 54.062 55.311 -1.249 18712 9181 1 15 . 1 1 96 96 ARG CB C 96 34.375 34.375 30.677 3.698 18712 9182 1 15 . 1 1 96 96 ARG H H 96 8.709 8.709 8.483 0.226 18712 9183 1 15 . 1 1 97 97 VAL N N 97 121.375 121.375 127.994 -6.619 18712 9184 1 15 . 1 1 97 97 VAL HA H 97 3.386 3.386 4.249 -0.863 18712 9185 1 15 . 1 1 97 97 VAL CA C 97 61.093 61.093 59.215 1.878 18712 9186 1 15 . 1 1 97 97 VAL CB C 97 32.266 32.266 33.480 -1.214 18712 9187 1 15 . 1 1 97 97 VAL H H 97 8.745 8.745 8.465 0.280 18712 9188 1 15 . 1 1 98 98 PRO HA H 98 4.543 4.543 4.546 -0.003 18712 9189 1 15 . 1 1 98 98 PRO CA C 98 62.500 62.500 62.389 0.111 18712 9190 1 15 . 1 1 98 98 PRO CB C 98 32.969 32.969 32.637 0.332 18712 9191 1 15 . 1 1 99 99 HIS N N 99 118.140 118.140 117.069 1.071 18712 9192 1 15 . 1 1 99 99 HIS HA H 99 4.272 4.272 4.537 -0.265 18712 9193 1 15 . 1 1 99 99 HIS CA C 99 58.281 58.281 56.811 1.470 18712 9194 1 15 . 1 1 99 99 HIS CB C 99 30.156 30.156 29.523 0.632 18712 9195 1 15 . 1 1 99 99 HIS H H 99 8.368 8.368 8.328 0.040 18712 9196 1 15 . 1 1 100 100 GLY N N 100 116.101 116.101 115.360 0.741 18712 9197 1 15 . 1 1 100 100 GLY CA C 100 45.625 45.625 45.364 0.262 18712 9198 1 15 . 1 1 100 100 GLY H H 100 9.411 9.411 8.878 0.533 18712 9199 1 15 . 1 1 101 101 GLY N N 101 108.798 108.798 109.703 -0.905 18712 9200 1 15 . 1 1 101 101 GLY CA C 101 45.625 45.625 45.608 0.017 18712 9201 1 15 . 1 1 101 101 GLY H H 101 8.399 8.399 7.857 0.542 18712 9202 1 15 . 1 1 102 102 GLY N N 102 105.967 105.967 109.612 -3.645 18712 9203 1 15 . 1 1 102 102 GLY CA C 102 45.625 45.625 45.143 0.482 18712 9204 1 15 . 1 1 102 102 GLY H H 102 8.310 8.310 8.279 0.031 18712 9205 1 15 . 1 1 103 103 GLY N N 103 107.574 107.574 106.924 0.650 18712 9206 1 15 . 1 1 103 103 GLY CA C 103 46.328 46.328 43.668 2.660 18712 9207 1 15 . 1 1 103 103 GLY H H 103 8.075 8.075 7.450 0.625 18712 9208 1 15 . 1 1 104 104 ILE N N 104 122.219 122.219 118.437 3.782 18712 9209 1 15 . 1 1 104 104 ILE HA H 104 5.075 5.075 4.431 0.644 18712 9210 1 15 . 1 1 104 104 ILE CA C 104 58.281 58.281 60.209 -1.928 18712 9211 1 15 . 1 1 104 104 ILE CB C 104 40.703 40.703 42.683 -1.980 18712 9212 1 15 . 1 1 104 104 ILE H H 104 8.269 8.269 7.731 0.537 18712 9213 1 15 . 1 1 105 105 ILE N N 105 124.237 124.237 124.737 -0.500 18712 9214 1 15 . 1 1 105 105 ILE HA H 105 4.312 4.312 4.307 0.005 18712 9215 1 15 . 1 1 105 105 ILE CA C 105 60.390 60.390 61.385 -0.994 18712 9216 1 15 . 1 1 105 105 ILE CB C 105 34.375 34.375 35.264 -0.889 18712 9217 1 15 . 1 1 105 105 ILE H H 105 8.965 8.965 8.436 0.529 18712 9218 1 15 . 1 1 106 106 HIS N N 106 135.053 135.053 128.513 6.540 18712 9219 1 15 . 1 1 106 106 HIS HA H 106 4.506 4.506 4.707 -0.201 18712 9220 1 15 . 1 1 106 106 HIS CA C 106 57.578 57.578 56.567 1.011 18712 9221 1 15 . 1 1 106 106 HIS CB C 106 33.672 33.672 31.828 1.845 18712 9222 1 15 . 1 1 106 106 HIS H H 106 9.604 9.604 8.386 1.218 18712 9223 1 15 . 1 1 107 107 ASP N N 107 112.528 112.528 119.237 -6.709 18712 9224 1 15 . 1 1 107 107 ASP HA H 107 4.707 4.707 4.823 -0.116 18712 9225 1 15 . 1 1 107 107 ASP CB C 107 42.812 42.812 45.455 -2.643 18712 9226 1 15 . 1 1 107 107 ASP H H 107 7.930 7.930 7.809 0.121 18712 9227 1 15 . 1 1 108 108 VAL N N 108 121.656 121.656 120.175 1.481 18712 9228 1 15 . 1 1 108 108 VAL HA H 108 5.028 5.028 4.565 0.463 18712 9229 1 15 . 1 1 108 108 VAL CA C 108 61.796 61.796 61.384 0.412 18712 9230 1 15 . 1 1 108 108 VAL CB C 108 36.484 36.484 35.037 1.447 18712 9231 1 15 . 1 1 108 108 VAL H H 108 8.325 8.325 8.341 -0.016 18712 9232 1 15 . 1 1 109 109 LYS N N 109 126.798 126.798 128.237 -1.439 18712 9233 1 15 . 1 1 109 109 LYS HA H 109 4.676 4.676 4.618 0.058 18712 9234 1 15 . 1 1 109 109 LYS CB C 109 37.187 37.187 34.686 2.501 18712 9235 1 15 . 1 1 109 109 LYS H H 109 9.417 9.417 8.704 0.713 18712 9236 1 15 . 1 1 110 110 VAL N N 110 121.892 121.892 122.415 -0.523 18712 9237 1 15 . 1 1 110 110 VAL HA H 110 4.676 4.676 4.315 0.361 18712 9238 1 15 . 1 1 110 110 VAL CB C 110 33.672 33.672 33.703 -0.031 18712 9239 1 15 . 1 1 110 110 VAL H H 110 8.206 8.206 8.193 0.013 18712 9240 1 15 . 1 1 111 111 PHE N N 111 126.578 126.578 127.327 -0.749 18712 9241 1 15 . 1 1 111 111 PHE HA H 111 4.995 4.995 4.869 0.126 18712 9242 1 15 . 1 1 111 111 PHE CA C 111 56.172 56.172 55.426 0.746 18712 9243 1 15 . 1 1 111 111 PHE CB C 111 42.109 42.109 41.571 0.538 18712 9244 1 15 . 1 1 111 111 PHE H H 111 9.459 9.459 8.896 0.563 18712 9245 1 15 . 1 1 112 112 ASN N N 112 121.797 121.797 119.692 2.105 18712 9246 1 15 . 1 1 112 112 ASN HA H 112 5.425 5.425 5.080 0.345 18712 9247 1 15 . 1 1 112 112 ASN CA C 112 52.656 52.656 52.070 0.586 18712 9248 1 15 . 1 1 112 112 ASN CB C 112 42.109 42.109 41.742 0.367 18712 9249 1 15 . 1 1 112 112 ASN H H 112 10.663 10.663 8.757 1.906 18712 9250 1 15 . 1 1 113 113 ARG N N 113 130.516 130.516 125.489 5.027 18712 9251 1 15 . 1 1 113 113 ARG HA H 113 4.435 4.435 4.306 0.129 18712 9252 1 15 . 1 1 113 113 ARG CA C 113 59.687 59.687 59.265 0.422 18712 9253 1 15 . 1 1 113 113 ARG CB C 113 30.859 30.859 30.306 0.552 18712 9254 1 15 . 1 1 113 113 ARG H H 113 9.138 9.138 8.804 0.334 18712 9255 1 15 . 1 1 114 114 GLU N N 114 119.008 119.008 117.096 1.912 18712 9256 1 15 . 1 1 114 114 GLU HA H 114 4.142 4.142 4.141 0.001 18712 9257 1 15 . 1 1 114 114 GLU CA C 114 58.281 58.281 58.767 -0.486 18712 9258 1 15 . 1 1 114 114 GLU CB C 114 29.453 29.453 28.977 0.476 18712 9259 1 15 . 1 1 114 114 GLU H H 114 8.924 8.924 8.461 0.463 18712 9260 1 15 . 1 1 115 115 ASP N N 115 116.593 116.593 117.394 -0.801 18712 9261 1 15 . 1 1 115 115 ASP HA H 115 4.869 4.869 4.544 0.325 18712 9262 1 15 . 1 1 115 115 ASP CA C 115 54.062 54.062 54.386 -0.324 18712 9263 1 15 . 1 1 115 115 ASP CB C 115 42.109 42.109 41.599 0.510 18712 9264 1 15 . 1 1 115 115 ASP H H 115 7.356 7.356 7.728 -0.372 18712 9265 1 15 . 1 1 116 116 GLY N N 116 106.689 106.689 107.495 -0.806 18712 9266 1 15 . 1 1 116 116 GLY CA C 116 44.922 44.922 44.668 0.254 18712 9267 1 15 . 1 1 116 116 GLY H H 116 7.918 7.918 7.685 0.233 18712 9268 1 15 . 1 1 117 117 ASP N N 117 119.329 119.329 121.806 -2.477 18712 9269 1 15 . 1 1 117 117 ASP HA H 117 4.632 4.632 4.750 -0.118 18712 9270 1 15 . 1 1 117 117 ASP CA C 117 55.468 55.468 53.112 2.356 18712 9271 1 15 . 1 1 117 117 ASP CB C 117 41.406 41.406 41.421 -0.015 18712 9272 1 15 . 1 1 117 117 ASP H H 117 7.220 7.220 7.829 -0.609 18712 9273 1 15 . 1 1 118 118 GLU N N 118 123.484 123.484 125.434 -1.950 18712 9274 1 15 . 1 1 118 118 GLU HA H 118 4.240 4.240 4.183 0.057 18712 9275 1 15 . 1 1 118 118 GLU CA C 118 56.875 56.875 57.160 -0.285 18712 9276 1 15 . 1 1 118 118 GLU CB C 118 29.453 29.453 30.294 -0.841 18712 9277 1 15 . 1 1 118 118 GLU H H 118 8.626 8.626 8.639 -0.013 18712 9278 1 15 . 1 1 119 119 LEU N N 119 129.139 129.139 126.209 2.930 18712 9279 1 15 . 1 1 119 119 LEU HA H 119 4.759 4.759 4.805 -0.046 18712 9280 1 15 . 1 1 119 119 LEU CB C 119 44.219 44.219 43.669 0.550 18712 9281 1 15 . 1 1 119 119 LEU H H 119 8.106 8.106 8.265 -0.159 18712 9282 1 15 . 1 1 120 120 PRO CB C 120 31.914 31.914 30.777 1.137 18712 9283 1 15 . 1 1 121 121 PRO HA H 121 4.269 4.269 4.326 -0.057 18712 9284 1 15 . 1 1 121 121 PRO CA C 121 63.906 63.906 63.748 0.158 18712 9285 1 15 . 1 1 121 121 PRO CB C 121 31.563 31.563 31.031 0.532 18712 9286 1 15 . 1 1 122 122 GLY N N 122 112.656 112.656 111.557 1.099 18712 9287 1 15 . 1 1 122 122 GLY CA C 122 45.625 45.625 44.944 0.681 18712 9288 1 15 . 1 1 122 122 GLY H H 122 8.827 8.827 8.727 0.100 18712 9289 1 15 . 1 1 123 123 VAL N N 123 119.406 119.406 120.609 -1.203 18712 9290 1 15 . 1 1 123 123 VAL HA H 123 4.017 4.017 4.697 -0.680 18712 9291 1 15 . 1 1 123 123 VAL CA C 123 62.851 62.851 60.925 1.926 18712 9292 1 15 . 1 1 123 123 VAL CB C 123 32.266 32.266 33.760 -1.494 18712 9293 1 15 . 1 1 123 123 VAL H H 123 7.845 7.845 7.431 0.414 18712 9294 1 15 . 1 1 124 124 ASN N N 124 124.609 124.609 120.271 4.338 18712 9295 1 15 . 1 1 124 124 ASN HA H 124 4.877 4.877 4.926 -0.049 18712 9296 1 15 . 1 1 124 124 ASN CA C 124 54.765 54.765 53.093 1.672 18712 9297 1 15 . 1 1 124 124 ASN CB C 124 40.000 40.000 40.912 -0.912 18712 9298 1 15 . 1 1 124 124 ASN H H 124 9.206 9.206 8.491 0.715 18712 9299 1 15 . 1 1 125 125 GLN N N 125 117.959 117.959 115.227 2.732 18712 9300 1 15 . 1 1 125 125 GLN HA H 125 5.234 5.234 4.672 0.562 18712 9301 1 15 . 1 1 125 125 GLN CA C 125 56.172 56.172 55.369 0.803 18712 9302 1 15 . 1 1 125 125 GLN CB C 125 33.672 33.672 32.756 0.916 18712 9303 1 15 . 1 1 125 125 GLN H H 125 7.756 7.756 7.672 0.084 18712 9304 1 15 . 1 1 126 126 LEU N N 126 125.559 125.559 122.109 3.450 18712 9305 1 15 . 1 1 126 126 LEU HA H 126 5.261 5.261 4.805 0.456 18712 9306 1 15 . 1 1 126 126 LEU CA C 126 54.765 54.765 54.367 0.398 18712 9307 1 15 . 1 1 126 126 LEU CB C 126 47.734 47.734 45.977 1.758 18712 9308 1 15 . 1 1 126 126 LEU H H 126 8.866 8.866 8.145 0.721 18712 9309 1 15 . 1 1 127 127 VAL N N 127 126.578 126.578 125.173 1.405 18712 9310 1 15 . 1 1 127 127 VAL HA H 127 5.127 5.127 4.535 0.592 18712 9311 1 15 . 1 1 127 127 VAL CA C 127 60.390 60.390 60.474 -0.084 18712 9312 1 15 . 1 1 127 127 VAL CB C 127 35.078 35.078 35.568 -0.490 18712 9313 1 15 . 1 1 127 127 VAL H H 127 9.367 9.367 8.827 0.540 18712 9314 1 15 . 1 1 128 128 ARG N N 128 126.578 126.578 124.679 1.899 18712 9315 1 15 . 1 1 128 128 ARG HA H 128 5.259 5.259 5.198 0.061 18712 9316 1 15 . 1 1 128 128 ARG CA C 128 54.765 54.765 54.280 0.485 18712 9317 1 15 . 1 1 128 128 ARG CB C 128 33.672 33.672 34.160 -0.488 18712 9318 1 15 . 1 1 128 128 ARG H H 128 9.502 9.502 8.876 0.626 18712 9319 1 15 . 1 1 129 129 VAL N N 129 123.977 123.977 122.227 1.750 18712 9320 1 15 . 1 1 129 129 VAL HA H 129 4.489 4.489 4.342 0.147 18712 9321 1 15 . 1 1 129 129 VAL CA C 129 61.093 61.093 61.751 -0.658 18712 9322 1 15 . 1 1 129 129 VAL CB C 129 35.078 35.078 34.229 0.849 18712 9323 1 15 . 1 1 129 129 VAL H H 129 9.051 9.051 8.069 0.982 18712 9324 1 15 . 1 1 130 130 TYR N N 130 124.673 124.673 124.552 0.121 18712 9325 1 15 . 1 1 130 130 TYR HA H 130 5.419 5.419 5.134 0.285 18712 9326 1 15 . 1 1 130 130 TYR CA C 130 56.172 56.172 56.228 -0.056 18712 9327 1 15 . 1 1 130 130 TYR CB C 130 39.297 39.297 41.356 -2.059 18712 9328 1 15 . 1 1 130 130 TYR H H 130 8.650 8.650 8.614 0.036 18712 9329 1 15 . 1 1 131 131 ILE N N 131 125.227 125.227 123.592 1.635 18712 9330 1 15 . 1 1 131 131 ILE HA H 131 4.869 4.869 4.705 0.164 18712 9331 1 15 . 1 1 131 131 ILE CB C 131 40.000 40.000 41.382 -1.382 18712 9332 1 15 . 1 1 131 131 ILE H H 131 9.509 9.509 8.234 1.275 18712 9333 1 15 . 1 1 132 132 VAL N N 132 126.859 126.859 124.823 2.036 18712 9334 1 15 . 1 1 132 132 VAL HA H 132 4.729 4.729 4.572 0.157 18712 9335 1 15 . 1 1 132 132 VAL CA C 132 61.093 61.093 60.626 0.467 18712 9336 1 15 . 1 1 132 132 VAL CB C 132 33.672 33.672 32.192 1.480 18712 9337 1 15 . 1 1 132 132 VAL H H 132 9.606 9.606 8.105 1.501 18712 9338 1 15 . 1 1 133 133 GLN N N 133 128.406 128.406 126.764 1.642 18712 9339 1 15 . 1 1 133 133 GLN HA H 133 4.751 4.751 4.338 0.413 18712 9340 1 15 . 1 1 133 133 GLN CA C 133 54.765 54.765 56.625 -1.860 18712 9341 1 15 . 1 1 133 133 GLN CB C 133 31.563 31.563 29.824 1.739 18712 9342 1 15 . 1 1 133 133 GLN H H 133 9.153 9.153 8.374 0.779 18712 9343 1 15 . 1 1 134 134 LYS N N 134 122.929 122.929 123.886 -0.957 18712 9344 1 15 . 1 1 134 134 LYS HA H 134 4.725 4.725 4.572 0.153 18712 9345 1 15 . 1 1 134 134 LYS CA C 134 56.172 56.172 55.078 1.093 18712 9346 1 15 . 1 1 134 134 LYS CB C 134 33.320 33.320 33.912 -0.592 18712 9347 1 15 . 1 1 134 134 LYS H H 134 8.561 8.561 8.652 -0.091 18712 9348 1 15 . 1 1 135 135 ARG N N 135 123.484 123.484 121.454 2.030 18712 9349 1 15 . 1 1 135 135 ARG HA H 135 4.503 4.503 4.270 0.233 18712 9350 1 15 . 1 1 135 135 ARG CA C 135 55.468 55.468 55.781 -0.313 18712 9351 1 15 . 1 1 135 135 ARG CB C 135 32.266 32.266 29.899 2.367 18712 9352 1 15 . 1 1 135 135 ARG H H 135 8.596 8.596 8.521 0.075 18712 9353 1 15 . 1 1 136 136 LYS N N 136 123.906 123.906 122.778 1.128 18712 9354 1 15 . 1 1 136 136 LYS HA H 136 4.467 4.467 4.444 0.023 18712 9355 1 15 . 1 1 136 136 LYS CA C 136 56.172 56.172 55.549 0.623 18712 9356 1 15 . 1 1 136 136 LYS CB C 136 32.969 32.969 33.980 -1.011 18712 9357 1 15 . 1 1 136 136 LYS H H 136 8.608 8.608 8.331 0.277 18712 9358 1 15 . 1 1 137 137 ILE N N 137 123.571 123.571 120.444 3.127 18712 9359 1 15 . 1 1 137 137 ILE HA H 137 4.184 4.184 4.024 0.160 18712 9360 1 15 . 1 1 137 137 ILE CA C 137 61.093 61.093 61.751 -0.658 18712 9361 1 15 . 1 1 137 137 ILE CB C 137 38.594 38.594 38.450 0.145 18712 9362 1 15 . 1 1 137 137 ILE H H 137 8.353 8.353 8.144 0.209 18712 9363 1 15 . 1 1 138 138 SER N N 138 119.547 119.547 118.110 1.437 18712 9364 1 15 . 1 1 138 138 SER HA H 138 4.503 4.503 4.601 -0.098 18712 9365 1 15 . 1 1 138 138 SER CA C 138 58.281 58.281 58.115 0.166 18712 9366 1 15 . 1 1 138 138 SER CB C 138 63.906 63.906 63.332 0.574 18712 9367 1 15 . 1 1 138 138 SER H H 138 8.410 8.410 8.247 0.163 18712 9368 1 15 . 1 1 139 139 GLU N N 139 123.281 123.281 125.726 -2.445 18712 9369 1 15 . 1 1 139 139 GLU HA H 139 4.307 4.307 4.503 -0.196 18712 9370 1 15 . 1 1 139 139 GLU CA C 139 56.875 56.875 56.423 0.452 18712 9371 1 15 . 1 1 139 139 GLU CB C 139 30.156 30.156 31.442 -1.286 18712 9372 1 15 . 1 1 139 139 GLU H H 139 8.489 8.489 8.717 -0.228 18712 9373 1 15 . 1 1 140 140 GLY N N 140 109.792 109.792 111.812 -2.020 18712 9374 1 15 . 1 1 140 140 GLY CA C 140 45.625 45.625 44.737 0.888 18712 9375 1 15 . 1 1 140 140 GLY H H 140 8.418 8.418 8.708 -0.290 18712 9376 1 16 . 1 1 4 4 VAL N N 4 119.125 119.125 120.446 -1.321 18712 9377 1 16 . 1 1 4 4 VAL HA H 4 4.070 4.070 4.251 -0.181 18712 9378 1 16 . 1 1 4 4 VAL CA C 4 62.500 62.500 61.430 1.070 18712 9379 1 16 . 1 1 4 4 VAL CB C 4 32.969 32.969 33.249 -0.280 18712 9380 1 16 . 1 1 4 4 VAL H H 4 7.998 7.998 7.682 0.316 18712 9381 1 16 . 1 1 5 5 TYR N N 5 122.640 122.640 123.146 -0.506 18712 9382 1 16 . 1 1 5 5 TYR HA H 5 4.674 4.674 4.737 -0.063 18712 9383 1 16 . 1 1 5 5 TYR CA C 5 58.281 58.281 58.074 0.207 18712 9384 1 16 . 1 1 5 5 TYR CB C 5 38.594 38.594 39.160 -0.566 18712 9385 1 16 . 1 1 5 5 TYR H H 5 8.305 8.305 8.569 -0.264 18712 9386 1 16 . 1 1 6 6 THR N N 6 114.861 114.861 116.534 -1.673 18712 9387 1 16 . 1 1 6 6 THR HA H 6 4.548 4.548 4.692 -0.144 18712 9388 1 16 . 1 1 6 6 THR CA C 6 61.796 61.796 60.666 1.130 18712 9389 1 16 . 1 1 6 6 THR CB C 6 70.234 70.234 69.519 0.715 18712 9390 1 16 . 1 1 6 6 THR H H 6 8.003 8.003 8.194 -0.191 18712 9391 1 16 . 1 1 7 7 SER N N 7 118.140 118.140 118.465 -0.325 18712 9392 1 16 . 1 1 7 7 SER HA H 7 4.600 4.600 4.794 -0.194 18712 9393 1 16 . 1 1 7 7 SER CA C 7 57.578 57.578 57.475 0.103 18712 9394 1 16 . 1 1 7 7 SER CB C 7 64.609 64.609 63.936 0.673 18712 9395 1 16 . 1 1 7 7 SER H H 7 8.487 8.487 8.280 0.207 18712 9396 1 16 . 1 1 8 8 ILE N N 8 121.375 121.375 120.791 0.584 18712 9397 1 16 . 1 1 8 8 ILE HA H 8 4.627 4.627 4.196 0.431 18712 9398 1 16 . 1 1 8 8 ILE CA C 8 60.390 60.390 61.196 -0.806 18712 9399 1 16 . 1 1 8 8 ILE CB C 8 40.000 40.000 38.603 1.397 18712 9400 1 16 . 1 1 8 8 ILE H H 8 8.139 8.139 8.217 -0.078 18712 9401 1 16 . 1 1 9 9 HIS N N 9 125.734 125.734 125.760 -0.026 18712 9402 1 16 . 1 1 9 9 HIS HA H 9 4.768 4.768 4.758 0.010 18712 9403 1 16 . 1 1 9 9 HIS CB C 9 32.617 32.617 33.855 -1.238 18712 9404 1 16 . 1 1 9 9 HIS H H 9 8.743 8.743 8.355 0.388 18712 9405 1 16 . 1 1 10 10 ILE N N 10 125.875 125.875 121.475 4.400 18712 9406 1 16 . 1 1 10 10 ILE HA H 10 4.806 4.806 4.925 -0.119 18712 9407 1 16 . 1 1 10 10 ILE CB C 10 39.297 39.297 41.124 -1.827 18712 9408 1 16 . 1 1 10 10 ILE H H 10 8.035 8.035 8.678 -0.643 18712 9409 1 16 . 1 1 11 11 GLU N N 11 129.438 129.438 126.285 3.153 18712 9410 1 16 . 1 1 11 11 GLU HA H 11 4.472 4.472 4.461 0.011 18712 9411 1 16 . 1 1 11 11 GLU CA C 11 54.062 54.062 55.161 -1.099 18712 9412 1 16 . 1 1 11 11 GLU CB C 11 32.617 32.617 31.466 1.151 18712 9413 1 16 . 1 1 11 11 GLU H H 11 8.934 8.934 8.961 -0.027 18712 9414 1 16 . 1 1 12 12 GLU N N 12 123.983 123.983 118.268 5.715 18712 9415 1 16 . 1 1 12 12 GLU HA H 12 4.752 4.752 4.694 0.058 18712 9416 1 16 . 1 1 12 12 GLU CA C 12 54.062 54.062 54.998 -0.936 18712 9417 1 16 . 1 1 12 12 GLU CB C 12 32.617 32.617 30.763 1.854 18712 9418 1 16 . 1 1 12 12 GLU H H 12 8.192 8.192 8.294 -0.102 18712 9419 1 16 . 1 1 13 13 TYR N N 13 122.826 122.826 124.066 -1.240 18712 9420 1 16 . 1 1 13 13 TYR HA H 13 4.741 4.741 4.774 -0.033 18712 9421 1 16 . 1 1 13 13 TYR CB C 13 42.812 42.812 41.390 1.422 18712 9422 1 16 . 1 1 13 13 TYR H H 13 8.926 8.926 7.949 0.977 18712 9423 1 16 . 1 1 14 14 GLU N N 14 119.329 119.329 122.301 -2.972 18712 9424 1 16 . 1 1 14 14 GLU HA H 14 5.647 5.647 4.853 0.794 18712 9425 1 16 . 1 1 14 14 GLU CA C 14 54.765 54.765 55.150 -0.385 18712 9426 1 16 . 1 1 14 14 GLU CB C 14 34.375 34.375 33.071 1.304 18712 9427 1 16 . 1 1 14 14 GLU H H 14 8.716 8.716 8.604 0.112 18712 9428 1 16 . 1 1 15 15 SER N N 15 116.172 116.172 116.236 -0.064 18712 9429 1 16 . 1 1 15 15 SER HA H 15 4.616 4.616 4.785 -0.169 18712 9430 1 16 . 1 1 15 15 SER CA C 15 57.578 57.578 58.165 -0.587 18712 9431 1 16 . 1 1 15 15 SER CB C 15 66.015 66.015 64.549 1.466 18712 9432 1 16 . 1 1 15 15 SER H H 15 8.922 8.922 8.188 0.734 18712 9433 1 16 . 1 1 16 16 GLU N N 16 125.172 125.172 124.019 1.153 18712 9434 1 16 . 1 1 16 16 GLU HA H 16 5.082 5.082 4.962 0.120 18712 9435 1 16 . 1 1 16 16 GLU CA C 16 54.062 54.062 54.785 -0.723 18712 9436 1 16 . 1 1 16 16 GLU CB C 16 32.969 32.969 33.143 -0.174 18712 9437 1 16 . 1 1 16 16 GLU H H 16 8.587 8.587 8.441 0.146 18712 9438 1 16 . 1 1 17 17 ALA N N 17 124.890 124.890 127.843 -2.953 18712 9439 1 16 . 1 1 17 17 ALA HA H 17 4.969 4.969 4.428 0.541 18712 9440 1 16 . 1 1 17 17 ALA CA C 17 50.547 50.547 51.660 -1.113 18712 9441 1 16 . 1 1 17 17 ALA CB C 17 19.610 19.610 19.037 0.573 18712 9442 1 16 . 1 1 17 17 ALA H H 17 9.000 9.000 8.539 0.461 18712 9443 1 16 . 1 1 18 18 ARG N N 18 125.376 125.376 124.225 1.151 18712 9444 1 16 . 1 1 18 18 ARG HA H 18 5.175 5.175 4.946 0.229 18712 9445 1 16 . 1 1 18 18 ARG CA C 18 54.765 54.765 55.187 -0.422 18712 9446 1 16 . 1 1 18 18 ARG CB C 18 34.375 34.375 31.547 2.828 18712 9447 1 16 . 1 1 18 18 ARG H H 18 9.624 9.624 7.962 1.662 18712 9448 1 16 . 1 1 19 19 ASP N N 19 119.828 119.828 124.756 -4.928 18712 9449 1 16 . 1 1 19 19 ASP HA H 19 4.685 4.685 4.558 0.127 18712 9450 1 16 . 1 1 19 19 ASP CA C 19 55.117 55.117 55.431 -0.314 18712 9451 1 16 . 1 1 19 19 ASP CB C 19 41.406 41.406 41.201 0.205 18712 9452 1 16 . 1 1 19 19 ASP H H 19 8.420 8.420 8.409 0.011 18712 9453 1 16 . 1 1 20 20 THR N N 20 112.948 112.948 115.368 -2.420 18712 9454 1 16 . 1 1 20 20 THR HA H 20 4.979 4.979 4.367 0.612 18712 9455 1 16 . 1 1 20 20 THR CA C 20 60.390 60.390 61.200 -0.810 18712 9456 1 16 . 1 1 20 20 THR CB C 20 73.046 73.046 70.207 2.838 18712 9457 1 16 . 1 1 20 20 THR H H 20 7.602 7.602 8.106 -0.504 18712 9458 1 16 . 1 1 21 21 LYS HA H 21 4.146 4.146 4.388 -0.242 18712 9459 1 16 . 1 1 21 21 LYS CA C 21 58.984 58.984 57.689 1.295 18712 9460 1 16 . 1 1 21 21 LYS CB C 21 32.266 32.266 31.875 0.391 18712 9461 1 16 . 1 1 22 22 LEU N N 22 117.346 117.346 120.242 -2.896 18712 9462 1 16 . 1 1 22 22 LEU HA H 22 4.532 4.532 4.499 0.033 18712 9463 1 16 . 1 1 22 22 LEU CA C 22 54.062 54.062 54.557 -0.495 18712 9464 1 16 . 1 1 22 22 LEU CB C 22 42.812 42.812 41.799 1.013 18712 9465 1 16 . 1 1 22 22 LEU H H 22 7.848 7.848 7.419 0.429 18712 9466 1 16 . 1 1 23 23 GLY N N 23 108.437 108.437 109.498 -1.061 18712 9467 1 16 . 1 1 23 23 GLY CA C 23 43.516 43.516 44.380 -0.864 18712 9468 1 16 . 1 1 23 23 GLY H H 23 7.407 7.407 7.372 0.035 18712 9469 1 16 . 1 1 24 24 PRO HA H 24 4.894 4.894 4.586 0.308 18712 9470 1 16 . 1 1 24 24 PRO CA C 24 63.906 63.906 62.393 1.513 18712 9471 1 16 . 1 1 24 24 PRO CB C 24 31.563 31.563 33.262 -1.699 18712 9472 1 16 . 1 1 25 25 GLU N N 25 118.281 118.281 118.418 -0.137 18712 9473 1 16 . 1 1 25 25 GLU HA H 25 4.621 4.621 4.377 0.244 18712 9474 1 16 . 1 1 25 25 GLU CA C 25 56.523 56.523 56.681 -0.158 18712 9475 1 16 . 1 1 25 25 GLU CB C 25 32.266 32.266 31.141 1.125 18712 9476 1 16 . 1 1 25 25 GLU H H 25 8.341 8.341 8.948 -0.607 18712 9477 1 16 . 1 1 26 26 GLU N N 26 119.406 119.406 119.283 0.123 18712 9478 1 16 . 1 1 26 26 GLU HA H 26 4.710 4.710 4.482 0.228 18712 9479 1 16 . 1 1 26 26 GLU CA C 26 54.765 54.765 55.915 -1.150 18712 9480 1 16 . 1 1 26 26 GLU CB C 26 33.672 33.672 30.738 2.934 18712 9481 1 16 . 1 1 26 26 GLU H H 26 8.336 8.336 7.804 0.532 18712 9482 1 16 . 1 1 27 27 ILE N N 27 127.472 127.472 122.421 5.051 18712 9483 1 16 . 1 1 27 27 ILE HA H 27 5.009 5.009 4.191 0.818 18712 9484 1 16 . 1 1 27 27 ILE CA C 27 60.390 60.390 61.687 -1.297 18712 9485 1 16 . 1 1 27 27 ILE CB C 27 37.187 37.187 38.852 -1.665 18712 9486 1 16 . 1 1 27 27 ILE H H 27 8.405 8.405 8.553 -0.148 18712 9487 1 16 . 1 1 28 28 THR N N 28 124.387 124.387 120.084 4.303 18712 9488 1 16 . 1 1 28 28 THR HA H 28 4.492 4.492 4.638 -0.146 18712 9489 1 16 . 1 1 28 28 THR CA C 28 59.687 59.687 60.422 -0.735 18712 9490 1 16 . 1 1 28 28 THR CB C 28 68.125 68.125 70.725 -2.600 18712 9491 1 16 . 1 1 28 28 THR H H 28 8.191 8.191 8.470 -0.279 18712 9492 1 16 . 1 1 29 29 ARG N N 29 120.568 120.568 120.507 0.061 18712 9493 1 16 . 1 1 29 29 ARG HA H 29 4.202 4.202 4.628 -0.426 18712 9494 1 16 . 1 1 29 29 ARG CA C 29 55.468 55.468 54.956 0.512 18712 9495 1 16 . 1 1 29 29 ARG CB C 29 32.266 32.266 32.160 0.106 18712 9496 1 16 . 1 1 29 29 ARG H H 29 7.995 7.995 8.375 -0.380 18712 9497 1 16 . 1 1 30 30 ASP N N 30 123.906 123.906 124.063 -0.157 18712 9498 1 16 . 1 1 30 30 ASP HA H 30 4.619 4.619 4.759 -0.140 18712 9499 1 16 . 1 1 30 30 ASP CA C 30 53.359 53.359 54.044 -0.685 18712 9500 1 16 . 1 1 30 30 ASP CB C 30 38.594 38.594 42.515 -3.921 18712 9501 1 16 . 1 1 30 30 ASP H H 30 8.784 8.784 8.748 0.036 18712 9502 1 16 . 1 1 31 31 ILE N N 31 123.422 123.422 123.903 -0.481 18712 9503 1 16 . 1 1 31 31 ILE HA H 31 4.063 4.063 4.485 -0.422 18712 9504 1 16 . 1 1 31 31 ILE CA C 31 57.578 57.578 57.381 0.197 18712 9505 1 16 . 1 1 31 31 ILE CB C 31 40.703 40.703 39.828 0.875 18712 9506 1 16 . 1 1 31 31 ILE H H 31 7.404 7.404 8.039 -0.635 18712 9507 1 16 . 1 1 32 32 PRO HA H 32 4.273 4.273 4.571 -0.298 18712 9508 1 16 . 1 1 32 32 PRO CA C 32 63.554 63.554 62.993 0.561 18712 9509 1 16 . 1 1 32 32 PRO CB C 32 32.266 32.266 32.505 -0.239 18712 9510 1 16 . 1 1 33 33 ASN N N 33 114.027 114.027 113.713 0.314 18712 9511 1 16 . 1 1 33 33 ASN HA H 33 4.269 4.269 4.374 -0.105 18712 9512 1 16 . 1 1 33 33 ASN CA C 33 55.117 55.117 53.908 1.209 18712 9513 1 16 . 1 1 33 33 ASN CB C 33 37.891 37.891 37.411 0.480 18712 9514 1 16 . 1 1 33 33 ASN H H 33 8.880 8.880 8.607 0.273 18712 9515 1 16 . 1 1 34 34 VAL N N 34 117.111 117.111 121.229 -4.118 18712 9516 1 16 . 1 1 34 34 VAL HA H 34 4.249 4.249 4.203 0.046 18712 9517 1 16 . 1 1 34 34 VAL CA C 34 62.148 62.148 62.140 0.008 18712 9518 1 16 . 1 1 34 34 VAL CB C 34 33.672 33.672 32.955 0.717 18712 9519 1 16 . 1 1 34 34 VAL H H 34 7.328 7.328 7.518 -0.190 18712 9520 1 16 . 1 1 35 35 GLY N N 35 113.600 113.600 112.091 1.509 18712 9521 1 16 . 1 1 35 35 GLY CA C 35 44.219 44.219 44.414 -0.195 18712 9522 1 16 . 1 1 35 35 GLY H H 35 8.653 8.653 8.285 0.368 18712 9523 1 16 . 1 1 36 36 GLU N N 36 118.562 118.562 122.202 -3.640 18712 9524 1 16 . 1 1 36 36 GLU HA H 36 3.888 3.888 3.954 -0.066 18712 9525 1 16 . 1 1 36 36 GLU CA C 36 59.687 59.687 59.465 0.222 18712 9526 1 16 . 1 1 36 36 GLU CB C 36 29.453 29.453 29.726 -0.273 18712 9527 1 16 . 1 1 36 36 GLU H H 36 8.457 8.457 8.803 -0.346 18712 9528 1 16 . 1 1 37 37 ASP N N 37 118.140 118.140 118.791 -0.651 18712 9529 1 16 . 1 1 37 37 ASP HA H 37 4.335 4.335 4.480 -0.145 18712 9530 1 16 . 1 1 37 37 ASP CA C 37 56.875 56.875 56.489 0.386 18712 9531 1 16 . 1 1 37 37 ASP CB C 37 40.000 40.000 40.544 -0.544 18712 9532 1 16 . 1 1 37 37 ASP H H 37 8.728 8.728 8.526 0.202 18712 9533 1 16 . 1 1 38 38 ALA N N 38 120.752 120.752 120.755 -0.003 18712 9534 1 16 . 1 1 38 38 ALA HA H 38 4.288 4.288 4.324 -0.036 18712 9535 1 16 . 1 1 38 38 ALA CA C 38 53.359 53.359 54.239 -0.880 18712 9536 1 16 . 1 1 38 38 ALA CB C 38 18.555 18.555 18.959 -0.404 18712 9537 1 16 . 1 1 38 38 ALA H H 38 7.642 7.642 7.501 0.141 18712 9538 1 16 . 1 1 39 39 LEU N N 39 117.015 117.015 112.115 4.900 18712 9539 1 16 . 1 1 39 39 LEU HA H 39 4.295 4.295 4.738 -0.443 18712 9540 1 16 . 1 1 39 39 LEU CA C 39 54.765 54.765 54.062 0.702 18712 9541 1 16 . 1 1 39 39 LEU CB C 39 43.164 43.164 41.669 1.495 18712 9542 1 16 . 1 1 39 39 LEU H H 39 7.446 7.446 7.165 0.281 18712 9543 1 16 . 1 1 40 40 ARG N N 40 118.017 118.017 119.473 -1.456 18712 9544 1 16 . 1 1 40 40 ARG HA H 40 4.064 4.064 4.114 -0.050 18712 9545 1 16 . 1 1 40 40 ARG CA C 40 59.687 59.687 58.550 1.137 18712 9546 1 16 . 1 1 40 40 ARG CB C 40 30.508 30.508 30.422 0.086 18712 9547 1 16 . 1 1 40 40 ARG H H 40 7.079 7.079 7.689 -0.610 18712 9548 1 16 . 1 1 41 41 ASN N N 41 115.439 115.439 116.593 -1.154 18712 9549 1 16 . 1 1 41 41 ASN HA H 41 4.996 4.996 4.742 0.254 18712 9550 1 16 . 1 1 41 41 ASN CA C 41 53.359 53.359 53.435 -0.076 18712 9551 1 16 . 1 1 41 41 ASN CB C 41 39.297 39.297 39.035 0.263 18712 9552 1 16 . 1 1 41 41 ASN H H 41 9.057 9.057 8.210 0.847 18712 9553 1 16 . 1 1 42 42 LEU N N 42 118.703 118.703 121.069 -2.366 18712 9554 1 16 . 1 1 42 42 LEU HA H 42 4.403 4.403 4.125 0.278 18712 9555 1 16 . 1 1 42 42 LEU CA C 42 54.062 54.062 56.435 -2.373 18712 9556 1 16 . 1 1 42 42 LEU CB C 42 42.812 42.812 42.578 0.234 18712 9557 1 16 . 1 1 42 42 LEU H H 42 7.719 7.719 7.919 -0.200 18712 9558 1 16 . 1 1 43 43 ASP N N 43 122.791 122.791 124.661 -1.870 18712 9559 1 16 . 1 1 43 43 ASP HA H 43 4.481 4.481 4.832 -0.351 18712 9560 1 16 . 1 1 43 43 ASP CA C 43 52.656 52.656 53.035 -0.380 18712 9561 1 16 . 1 1 43 43 ASP CB C 43 39.648 39.648 42.267 -2.619 18712 9562 1 16 . 1 1 43 43 ASP H H 43 8.933 8.933 7.888 1.045 18712 9563 1 16 . 1 1 44 44 ASP N N 44 114.917 114.917 119.726 -4.809 18712 9564 1 16 . 1 1 44 44 ASP HA H 44 4.278 4.278 4.491 -0.213 18712 9565 1 16 . 1 1 44 44 ASP CA C 44 56.875 56.875 56.308 0.567 18712 9566 1 16 . 1 1 44 44 ASP CB C 44 40.000 40.000 40.279 -0.279 18712 9567 1 16 . 1 1 44 44 ASP H H 44 8.281 8.281 8.801 -0.520 18712 9568 1 16 . 1 1 45 45 ARG N N 45 118.140 118.140 117.397 0.743 18712 9569 1 16 . 1 1 45 45 ARG HA H 45 4.366 4.366 4.302 0.064 18712 9570 1 16 . 1 1 45 45 ARG CA C 45 55.117 55.117 56.256 -1.139 18712 9571 1 16 . 1 1 45 45 ARG CB C 45 30.859 30.859 30.304 0.555 18712 9572 1 16 . 1 1 45 45 ARG H H 45 8.500 8.500 8.119 0.381 18712 9573 1 16 . 1 1 46 46 GLY N N 46 101.828 101.828 106.937 -5.109 18712 9574 1 16 . 1 1 46 46 GLY CA C 46 45.273 45.273 45.213 0.060 18712 9575 1 16 . 1 1 46 46 GLY H H 46 7.680 7.680 7.782 -0.102 18712 9576 1 16 . 1 1 47 47 VAL N N 47 119.955 119.955 118.809 1.146 18712 9577 1 16 . 1 1 47 47 VAL HA H 47 4.406 4.406 4.276 0.130 18712 9578 1 16 . 1 1 47 47 VAL CA C 47 61.796 61.796 59.339 2.457 18712 9579 1 16 . 1 1 47 47 VAL CB C 47 33.672 33.672 34.462 -0.789 18712 9580 1 16 . 1 1 47 47 VAL H H 47 8.007 8.007 7.336 0.671 18712 9581 1 16 . 1 1 48 48 ILE N N 48 128.406 128.406 124.547 3.859 18712 9582 1 16 . 1 1 48 48 ILE HA H 48 4.202 4.202 3.972 0.230 18712 9583 1 16 . 1 1 48 48 ILE CA C 48 59.687 59.687 60.803 -1.116 18712 9584 1 16 . 1 1 48 48 ILE CB C 48 38.945 38.945 36.866 2.079 18712 9585 1 16 . 1 1 48 48 ILE H H 48 8.145 8.145 8.106 0.039 18712 9586 1 16 . 1 1 49 49 ARG N N 49 123.765 123.765 126.779 -3.014 18712 9587 1 16 . 1 1 49 49 ARG HA H 49 4.328 4.328 4.186 0.142 18712 9588 1 16 . 1 1 49 49 ARG CA C 49 56.875 56.875 56.203 0.673 18712 9589 1 16 . 1 1 49 49 ARG CB C 49 31.563 31.563 31.547 0.016 18712 9590 1 16 . 1 1 49 49 ARG H H 49 7.447 7.447 8.144 -0.697 18712 9591 1 16 . 1 1 50 50 ILE N N 50 121.094 121.094 120.511 0.583 18712 9592 1 16 . 1 1 50 50 ILE HA H 50 3.414 3.414 3.717 -0.303 18712 9593 1 16 . 1 1 50 50 ILE CA C 50 64.609 64.609 61.583 3.026 18712 9594 1 16 . 1 1 50 50 ILE H H 50 8.284 8.284 8.165 0.119 18712 9595 1 16 . 1 1 51 51 GLY N N 51 115.791 115.791 113.076 2.715 18712 9596 1 16 . 1 1 51 51 GLY CA C 51 44.922 44.922 45.205 -0.283 18712 9597 1 16 . 1 1 51 51 GLY H H 51 8.679 8.679 8.889 -0.210 18712 9598 1 16 . 1 1 52 52 ALA N N 52 122.065 122.065 122.908 -0.843 18712 9599 1 16 . 1 1 52 52 ALA HA H 52 4.246 4.246 4.552 -0.306 18712 9600 1 16 . 1 1 52 52 ALA CA C 52 52.656 52.656 50.642 2.014 18712 9601 1 16 . 1 1 52 52 ALA CB C 52 18.906 18.906 20.427 -1.521 18712 9602 1 16 . 1 1 52 52 ALA H H 52 7.496 7.496 7.453 0.043 18712 9603 1 16 . 1 1 53 53 GLU N N 53 121.468 121.468 124.098 -2.630 18712 9604 1 16 . 1 1 53 53 GLU HA H 53 4.892 4.892 4.173 0.719 18712 9605 1 16 . 1 1 53 53 GLU CB C 53 30.508 30.508 30.352 0.156 18712 9606 1 16 . 1 1 53 53 GLU H H 53 8.427 8.427 8.623 -0.196 18712 9607 1 16 . 1 1 54 54 VAL N N 54 117.437 117.437 125.889 -8.452 18712 9608 1 16 . 1 1 54 54 VAL HA H 54 4.979 4.979 4.150 0.829 18712 9609 1 16 . 1 1 54 54 VAL CA C 54 58.632 58.632 60.642 -2.010 18712 9610 1 16 . 1 1 54 54 VAL CB C 54 35.781 35.781 33.237 2.544 18712 9611 1 16 . 1 1 54 54 VAL H H 54 9.002 9.002 8.243 0.759 18712 9612 1 16 . 1 1 55 55 LYS N N 55 123.906 123.906 123.505 0.401 18712 9613 1 16 . 1 1 55 55 LYS HA H 55 4.698 4.698 4.566 0.132 18712 9614 1 16 . 1 1 55 55 LYS CA C 55 53.359 53.359 54.737 -1.378 18712 9615 1 16 . 1 1 55 55 LYS CB C 55 35.781 35.781 34.857 0.924 18712 9616 1 16 . 1 1 55 55 LYS H H 55 9.244 9.244 7.812 1.432 18712 9617 1 16 . 1 1 56 56 ASP N N 56 118.562 118.562 120.494 -1.932 18712 9618 1 16 . 1 1 56 56 ASP HA H 56 3.764 3.764 4.376 -0.612 18712 9619 1 16 . 1 1 56 56 ASP CA C 56 56.172 56.172 56.496 -0.324 18712 9620 1 16 . 1 1 56 56 ASP CB C 56 40.000 40.000 40.179 -0.179 18712 9621 1 16 . 1 1 56 56 ASP H H 56 8.176 8.176 8.662 -0.486 18712 9622 1 16 . 1 1 57 57 GLY N N 57 112.515 112.515 114.024 -1.509 18712 9623 1 16 . 1 1 57 57 GLY CA C 57 45.625 45.625 44.993 0.632 18712 9624 1 16 . 1 1 57 57 GLY H H 57 8.841 8.841 8.556 0.285 18712 9625 1 16 . 1 1 58 58 ASP N N 58 121.375 121.375 123.102 -1.727 18712 9626 1 16 . 1 1 58 58 ASP HA H 58 4.532 4.532 4.949 -0.416 18712 9627 1 16 . 1 1 58 58 ASP CA C 58 54.765 54.765 52.795 1.970 18712 9628 1 16 . 1 1 58 58 ASP CB C 58 41.055 41.055 40.472 0.583 18712 9629 1 16 . 1 1 58 58 ASP H H 58 8.209 8.209 8.128 0.081 18712 9630 1 16 . 1 1 59 59 LEU N N 59 119.828 119.828 123.400 -3.572 18712 9631 1 16 . 1 1 59 59 LEU HA H 59 3.976 3.976 4.284 -0.308 18712 9632 1 16 . 1 1 59 59 LEU CA C 59 56.875 56.875 54.235 2.640 18712 9633 1 16 . 1 1 59 59 LEU CB C 59 44.219 44.219 42.338 1.881 18712 9634 1 16 . 1 1 59 59 LEU H H 59 8.570 8.570 8.423 0.147 18712 9635 1 16 . 1 1 60 60 LEU N N 60 116.594 116.594 112.798 3.796 18712 9636 1 16 . 1 1 60 60 LEU HA H 60 4.518 4.518 4.018 0.500 18712 9637 1 16 . 1 1 60 60 LEU CB C 60 44.922 44.922 39.951 4.971 18712 9638 1 16 . 1 1 60 60 LEU H H 60 8.816 8.816 7.996 0.820 18712 9639 1 16 . 1 1 61 61 VAL N N 61 115.656 115.656 110.777 4.879 18712 9640 1 16 . 1 1 61 61 VAL HA H 61 4.618 4.618 4.367 0.251 18712 9641 1 16 . 1 1 61 61 VAL CA C 61 61.093 61.093 59.154 1.939 18712 9642 1 16 . 1 1 61 61 VAL CB C 61 36.484 36.484 35.096 1.389 18712 9643 1 16 . 1 1 61 61 VAL H H 61 7.322 7.322 7.270 0.052 18712 9644 1 16 . 1 1 62 62 GLY N N 62 117.191 117.191 110.863 6.328 18712 9645 1 16 . 1 1 62 62 GLY CA C 62 45.625 45.625 44.411 1.214 18712 9646 1 16 . 1 1 62 62 GLY H H 62 9.563 9.563 8.473 1.090 18712 9647 1 16 . 1 1 63 63 LYS N N 63 127.584 127.584 127.304 0.280 18712 9648 1 16 . 1 1 63 63 LYS HA H 63 5.328 5.328 4.839 0.489 18712 9649 1 16 . 1 1 63 63 LYS CA C 63 56.172 56.172 55.597 0.575 18712 9650 1 16 . 1 1 63 63 LYS CB C 63 35.078 35.078 36.011 -0.933 18712 9651 1 16 . 1 1 63 63 LYS H H 63 8.712 8.712 7.925 0.787 18712 9652 1 16 . 1 1 64 64 VAL N N 64 114.383 114.383 121.492 -7.109 18712 9653 1 16 . 1 1 64 64 VAL HA H 64 5.523 5.523 4.828 0.695 18712 9654 1 16 . 1 1 64 64 VAL CA C 64 57.578 57.578 60.986 -3.408 18712 9655 1 16 . 1 1 64 64 VAL CB C 64 35.781 35.781 34.863 0.918 18712 9656 1 16 . 1 1 64 64 VAL H H 64 8.481 8.481 8.005 0.476 18712 9657 1 16 . 1 1 65 65 THR N N 65 118.431 118.431 116.526 1.905 18712 9658 1 16 . 1 1 65 65 THR HA H 65 4.602 4.602 4.878 -0.276 18712 9659 1 16 . 1 1 65 65 THR CA C 65 59.687 59.687 58.659 1.028 18712 9660 1 16 . 1 1 65 65 THR CB C 65 72.343 72.343 68.972 3.371 18712 9661 1 16 . 1 1 65 65 THR H H 65 8.637 8.637 8.110 0.527 18712 9662 1 16 . 1 1 66 66 PRO HA H 66 4.557 4.557 4.438 0.119 18712 9663 1 16 . 1 1 66 66 PRO CA C 66 63.906 63.906 62.740 1.166 18712 9664 1 16 . 1 1 66 66 PRO CB C 66 32.969 32.969 32.441 0.528 18712 9665 1 16 . 1 1 67 67 LYS N N 67 122.359 122.359 121.715 0.644 18712 9666 1 16 . 1 1 67 67 LYS HA H 67 4.391 4.391 4.476 -0.085 18712 9667 1 16 . 1 1 67 67 LYS CA C 67 56.172 56.172 55.357 0.815 18712 9668 1 16 . 1 1 67 67 LYS CB C 67 35.078 35.078 33.905 1.173 18712 9669 1 16 . 1 1 67 67 LYS H H 67 8.371 8.371 7.808 0.563 18712 9670 1 16 . 1 1 68 68 GLY N N 68 109.563 109.563 107.495 2.068 18712 9671 1 16 . 1 1 68 68 GLY CA C 68 44.922 44.922 44.091 0.831 18712 9672 1 16 . 1 1 68 68 GLY H H 68 8.583 8.583 8.382 0.201 18712 9673 1 16 . 1 1 69 69 VAL N N 69 118.378 118.378 124.263 -5.885 18712 9674 1 16 . 1 1 69 69 VAL HA H 69 4.032 4.032 3.673 0.359 18712 9675 1 16 . 1 1 69 69 VAL CA C 69 63.203 63.203 65.106 -1.903 18712 9676 1 16 . 1 1 69 69 VAL CB C 69 32.266 32.266 31.419 0.847 18712 9677 1 16 . 1 1 69 69 VAL H H 69 8.235 8.235 8.680 -0.445 18712 9678 1 16 . 1 1 70 70 THR N N 70 114.484 114.484 113.354 1.130 18712 9679 1 16 . 1 1 70 70 THR HA H 70 4.281 4.281 4.039 0.242 18712 9680 1 16 . 1 1 70 70 THR CA C 70 62.500 62.500 64.845 -2.345 18712 9681 1 16 . 1 1 70 70 THR CB C 70 69.531 69.531 68.460 1.071 18712 9682 1 16 . 1 1 70 70 THR H H 70 8.085 8.085 8.001 0.084 18712 9683 1 16 . 1 1 71 71 GLU N N 71 121.656 121.656 119.302 2.354 18712 9684 1 16 . 1 1 71 71 GLU HA H 71 4.325 4.325 4.472 -0.147 18712 9685 1 16 . 1 1 71 71 GLU CA C 71 56.172 56.172 54.690 1.482 18712 9686 1 16 . 1 1 71 71 GLU CB C 71 30.859 30.859 29.786 1.073 18712 9687 1 16 . 1 1 71 71 GLU H H 71 8.175 8.175 7.927 0.248 18712 9688 1 16 . 1 1 72 72 LEU N N 72 122.219 122.219 121.438 0.781 18712 9689 1 16 . 1 1 72 72 LEU HA H 72 4.534 4.534 4.329 0.205 18712 9690 1 16 . 1 1 72 72 LEU CA C 72 54.765 54.765 55.042 -0.277 18712 9691 1 16 . 1 1 72 72 LEU CB C 72 42.812 42.812 43.113 -0.301 18712 9692 1 16 . 1 1 72 72 LEU H H 72 7.770 7.770 7.495 0.275 18712 9693 1 16 . 1 1 73 73 THR N N 73 114.407 114.407 110.790 3.617 18712 9694 1 16 . 1 1 73 73 THR HA H 73 4.405 4.405 4.428 -0.023 18712 9695 1 16 . 1 1 73 73 THR CA C 73 61.093 61.093 60.155 0.938 18712 9696 1 16 . 1 1 73 73 THR CB C 73 70.937 70.937 71.392 -0.455 18712 9697 1 16 . 1 1 73 73 THR H H 73 8.869 8.869 8.128 0.741 18712 9698 1 16 . 1 1 74 74 ALA N N 74 123.782 123.782 126.064 -2.282 18712 9699 1 16 . 1 1 74 74 ALA HA H 74 4.026 4.026 4.028 -0.002 18712 9700 1 16 . 1 1 74 74 ALA CA C 74 55.468 55.468 55.250 0.218 18712 9701 1 16 . 1 1 74 74 ALA CB C 74 18.203 18.203 18.234 -0.031 18712 9702 1 16 . 1 1 74 74 ALA H H 74 8.831 8.831 8.814 0.017 18712 9703 1 16 . 1 1 75 75 GLU N N 75 117.578 117.578 117.327 0.251 18712 9704 1 16 . 1 1 75 75 GLU HA H 75 4.043 4.043 4.106 -0.063 18712 9705 1 16 . 1 1 75 75 GLU CA C 75 59.687 59.687 59.021 0.666 18712 9706 1 16 . 1 1 75 75 GLU CB C 75 29.453 29.453 28.716 0.737 18712 9707 1 16 . 1 1 75 75 GLU H H 75 8.637 8.637 8.813 -0.176 18712 9708 1 16 . 1 1 76 76 GLU N N 76 120.042 120.042 118.077 1.965 18712 9709 1 16 . 1 1 76 76 GLU HA H 76 4.010 4.010 4.122 -0.112 18712 9710 1 16 . 1 1 76 76 GLU CA C 76 58.281 58.281 57.654 0.627 18712 9711 1 16 . 1 1 76 76 GLU CB C 76 30.859 30.859 29.793 1.066 18712 9712 1 16 . 1 1 76 76 GLU H H 76 7.847 7.847 7.487 0.360 18712 9713 1 16 . 1 1 77 77 ARG N N 77 119.687 119.687 117.930 1.757 18712 9714 1 16 . 1 1 77 77 ARG HA H 77 3.975 3.975 4.158 -0.183 18712 9715 1 16 . 1 1 77 77 ARG CA C 77 58.984 58.984 58.877 0.107 18712 9716 1 16 . 1 1 77 77 ARG CB C 77 30.156 30.156 30.819 -0.663 18712 9717 1 16 . 1 1 77 77 ARG H H 77 8.452 8.452 7.902 0.550 18712 9718 1 16 . 1 1 78 78 LEU N N 78 120.250 120.250 119.127 1.123 18712 9719 1 16 . 1 1 78 78 LEU HA H 78 4.210 4.210 4.458 -0.248 18712 9720 1 16 . 1 1 78 78 LEU CA C 78 56.875 56.875 57.874 -0.999 18712 9721 1 16 . 1 1 78 78 LEU CB C 78 42.109 42.109 41.567 0.542 18712 9722 1 16 . 1 1 78 78 LEU H H 78 7.685 7.685 8.193 -0.508 18712 9723 1 16 . 1 1 79 79 LEU N N 79 119.265 119.265 120.162 -0.897 18712 9724 1 16 . 1 1 79 79 LEU HA H 79 4.208 4.208 4.186 0.022 18712 9725 1 16 . 1 1 79 79 LEU CA C 79 56.875 56.875 56.198 0.677 18712 9726 1 16 . 1 1 79 79 LEU CB C 79 42.109 42.109 41.125 0.984 18712 9727 1 16 . 1 1 79 79 LEU H H 79 7.679 7.679 7.741 -0.062 18712 9728 1 16 . 1 1 80 80 HIS N N 80 118.348 118.348 118.379 -0.031 18712 9729 1 16 . 1 1 80 80 HIS HA H 80 4.422 4.422 4.218 0.204 18712 9730 1 16 . 1 1 80 80 HIS CA C 80 57.578 57.578 59.224 -1.646 18712 9731 1 16 . 1 1 80 80 HIS CB C 80 30.156 30.156 28.873 1.283 18712 9732 1 16 . 1 1 80 80 HIS H H 80 8.127 8.127 8.232 -0.105 18712 9733 1 16 . 1 1 81 81 ALA N N 81 122.359 122.359 120.359 2.000 18712 9734 1 16 . 1 1 81 81 ALA HA H 81 4.204 4.204 3.965 0.239 18712 9735 1 16 . 1 1 81 81 ALA CA C 81 54.062 54.062 53.429 0.633 18712 9736 1 16 . 1 1 81 81 ALA CB C 81 18.906 18.906 18.078 0.828 18712 9737 1 16 . 1 1 81 81 ALA H H 81 7.908 7.908 6.891 1.017 18712 9738 1 16 . 1 1 82 82 ILE N N 82 117.705 117.705 118.370 -0.665 18712 9739 1 16 . 1 1 82 82 ILE HA H 82 3.972 3.972 3.984 -0.012 18712 9740 1 16 . 1 1 82 82 ILE CA C 82 62.500 62.500 62.538 -0.038 18712 9741 1 16 . 1 1 82 82 ILE CB C 82 38.594 38.594 37.553 1.041 18712 9742 1 16 . 1 1 82 82 ILE H H 82 7.780 7.780 7.107 0.673 18712 9743 1 16 . 1 1 83 83 PHE N N 83 120.528 120.528 118.177 2.351 18712 9744 1 16 . 1 1 83 83 PHE HA H 83 4.633 4.633 4.396 0.237 18712 9745 1 16 . 1 1 83 83 PHE CA C 83 58.281 58.281 58.599 -0.318 18712 9746 1 16 . 1 1 83 83 PHE CB C 83 40.000 40.000 39.612 0.388 18712 9747 1 16 . 1 1 83 83 PHE H H 83 8.227 8.227 8.730 -0.503 18712 9748 1 16 . 1 1 84 84 GLY N N 84 110.328 110.328 106.456 3.872 18712 9749 1 16 . 1 1 84 84 GLY CA C 84 45.625 45.625 45.636 -0.011 18712 9750 1 16 . 1 1 84 84 GLY H H 84 8.157 8.157 7.737 0.420 18712 9751 1 16 . 1 1 85 85 GLU N N 85 120.975 120.975 117.316 3.659 18712 9752 1 16 . 1 1 85 85 GLU HA H 85 4.234 4.234 4.479 -0.245 18712 9753 1 16 . 1 1 85 85 GLU CA C 85 57.226 57.226 55.217 2.009 18712 9754 1 16 . 1 1 85 85 GLU CB C 85 30.156 30.156 32.819 -2.663 18712 9755 1 16 . 1 1 85 85 GLU H H 85 8.374 8.374 7.923 0.451 18712 9756 1 16 . 1 1 86 86 LYS N N 86 121.202 121.202 122.719 -1.517 18712 9757 1 16 . 1 1 86 86 LYS HA H 86 4.291 4.291 4.400 -0.109 18712 9758 1 16 . 1 1 86 86 LYS CA C 86 56.172 56.172 56.170 0.002 18712 9759 1 16 . 1 1 86 86 LYS CB C 86 32.969 32.969 32.237 0.732 18712 9760 1 16 . 1 1 86 86 LYS H H 86 8.230 8.230 8.533 -0.303 18712 9761 1 16 . 1 1 87 87 ALA N N 87 124.596 124.596 126.644 -2.048 18712 9762 1 16 . 1 1 87 87 ALA HA H 87 4.236 4.236 4.586 -0.350 18712 9763 1 16 . 1 1 87 87 ALA CA C 87 52.656 52.656 51.341 1.315 18712 9764 1 16 . 1 1 87 87 ALA CB C 87 19.610 19.610 20.562 -0.952 18712 9765 1 16 . 1 1 87 87 ALA H H 87 8.179 8.179 8.288 -0.109 18712 9766 1 16 . 1 1 88 88 ARG N N 88 120.688 120.688 121.562 -0.874 18712 9767 1 16 . 1 1 88 88 ARG HA H 88 4.344 4.344 4.345 -0.001 18712 9768 1 16 . 1 1 88 88 ARG CA C 88 56.172 56.172 56.114 0.058 18712 9769 1 16 . 1 1 88 88 ARG CB C 88 30.859 30.859 30.791 0.068 18712 9770 1 16 . 1 1 88 88 ARG H H 88 8.274 8.274 8.576 -0.302 18712 9771 1 16 . 1 1 89 89 GLU N N 89 124.469 124.469 124.250 0.219 18712 9772 1 16 . 1 1 89 89 GLU HA H 89 4.575 4.575 4.494 0.081 18712 9773 1 16 . 1 1 89 89 GLU CA C 89 55.468 55.468 55.329 0.139 18712 9774 1 16 . 1 1 89 89 GLU CB C 89 30.156 30.156 32.304 -2.148 18712 9775 1 16 . 1 1 89 89 GLU H H 89 8.632 8.632 8.629 0.003 18712 9776 1 16 . 1 1 90 90 VAL N N 90 114.440 114.440 119.738 -5.298 18712 9777 1 16 . 1 1 90 90 VAL HA H 90 5.047 5.047 4.292 0.755 18712 9778 1 16 . 1 1 90 90 VAL CA C 90 58.984 58.984 60.203 -1.218 18712 9779 1 16 . 1 1 90 90 VAL CB C 90 36.484 36.484 35.583 0.902 18712 9780 1 16 . 1 1 90 90 VAL H H 90 8.246 8.246 8.264 -0.018 18712 9781 1 16 . 1 1 91 91 ARG N N 91 118.602 118.602 123.931 -5.329 18712 9782 1 16 . 1 1 91 91 ARG HA H 91 4.771 4.771 4.662 0.109 18712 9783 1 16 . 1 1 91 91 ARG CB C 91 33.672 33.672 32.500 1.172 18712 9784 1 16 . 1 1 91 91 ARG H H 91 9.062 9.062 9.137 -0.075 18712 9785 1 16 . 1 1 92 92 ASP N N 92 121.656 121.656 126.050 -4.394 18712 9786 1 16 . 1 1 92 92 ASP HA H 92 4.754 4.754 4.672 0.082 18712 9787 1 16 . 1 1 92 92 ASP CB C 92 41.406 41.406 40.693 0.713 18712 9788 1 16 . 1 1 92 92 ASP H H 92 8.770 8.770 8.712 0.058 18712 9789 1 16 . 1 1 93 93 THR N N 93 124.654 124.654 116.352 8.302 18712 9790 1 16 . 1 1 93 93 THR HA H 93 4.586 4.586 4.420 0.166 18712 9791 1 16 . 1 1 93 93 THR CA C 93 60.390 60.390 61.010 -0.620 18712 9792 1 16 . 1 1 93 93 THR CB C 93 66.718 66.718 69.010 -2.292 18712 9793 1 16 . 1 1 93 93 THR H H 93 9.253 9.253 7.979 1.274 18712 9794 1 16 . 1 1 94 94 SER N N 94 117.437 117.437 115.723 1.714 18712 9795 1 16 . 1 1 94 94 SER HA H 94 4.455 4.455 4.440 0.015 18712 9796 1 16 . 1 1 94 94 SER CA C 94 60.390 60.390 59.148 1.242 18712 9797 1 16 . 1 1 94 94 SER CB C 94 63.906 63.906 64.021 -0.115 18712 9798 1 16 . 1 1 94 94 SER H H 94 8.564 8.564 7.739 0.825 18712 9799 1 16 . 1 1 95 95 LEU N N 95 125.594 125.594 121.457 4.137 18712 9800 1 16 . 1 1 95 95 LEU HA H 95 4.684 4.684 4.401 0.283 18712 9801 1 16 . 1 1 95 95 LEU CB C 95 43.516 43.516 43.123 0.393 18712 9802 1 16 . 1 1 95 95 LEU H H 95 8.964 8.964 8.566 0.398 18712 9803 1 16 . 1 1 96 96 ARG N N 96 128.669 128.669 123.958 4.711 18712 9804 1 16 . 1 1 96 96 ARG HA H 96 5.061 5.061 4.475 0.586 18712 9805 1 16 . 1 1 96 96 ARG CA C 96 54.062 54.062 55.396 -1.334 18712 9806 1 16 . 1 1 96 96 ARG CB C 96 34.375 34.375 30.588 3.787 18712 9807 1 16 . 1 1 96 96 ARG H H 96 8.709 8.709 8.492 0.217 18712 9808 1 16 . 1 1 97 97 VAL N N 97 121.375 121.375 127.025 -5.650 18712 9809 1 16 . 1 1 97 97 VAL HA H 97 3.386 3.386 4.506 -1.120 18712 9810 1 16 . 1 1 97 97 VAL CA C 97 61.093 61.093 59.202 1.891 18712 9811 1 16 . 1 1 97 97 VAL CB C 97 32.266 32.266 34.295 -2.029 18712 9812 1 16 . 1 1 97 97 VAL H H 97 8.745 8.745 8.523 0.222 18712 9813 1 16 . 1 1 98 98 PRO HA H 98 4.543 4.543 4.526 0.017 18712 9814 1 16 . 1 1 98 98 PRO CA C 98 62.500 62.500 62.248 0.252 18712 9815 1 16 . 1 1 98 98 PRO CB C 98 32.969 32.969 32.564 0.405 18712 9816 1 16 . 1 1 99 99 HIS N N 99 118.140 118.140 116.338 1.802 18712 9817 1 16 . 1 1 99 99 HIS HA H 99 4.272 4.272 4.496 -0.224 18712 9818 1 16 . 1 1 99 99 HIS CA C 99 58.281 58.281 56.804 1.477 18712 9819 1 16 . 1 1 99 99 HIS CB C 99 30.156 30.156 29.335 0.821 18712 9820 1 16 . 1 1 99 99 HIS H H 99 8.368 8.368 8.203 0.165 18712 9821 1 16 . 1 1 100 100 GLY N N 100 116.101 116.101 115.688 0.413 18712 9822 1 16 . 1 1 100 100 GLY CA C 100 45.625 45.625 45.385 0.240 18712 9823 1 16 . 1 1 100 100 GLY H H 100 9.411 9.411 8.924 0.487 18712 9824 1 16 . 1 1 101 101 GLY N N 101 108.798 108.798 109.715 -0.917 18712 9825 1 16 . 1 1 101 101 GLY CA C 101 45.625 45.625 45.624 0.001 18712 9826 1 16 . 1 1 101 101 GLY H H 101 8.399 8.399 7.912 0.487 18712 9827 1 16 . 1 1 102 102 GLY N N 102 105.967 105.967 108.660 -2.693 18712 9828 1 16 . 1 1 102 102 GLY CA C 102 45.625 45.625 45.339 0.286 18712 9829 1 16 . 1 1 102 102 GLY H H 102 8.310 8.310 8.416 -0.106 18712 9830 1 16 . 1 1 103 103 GLY N N 103 107.574 107.574 107.146 0.428 18712 9831 1 16 . 1 1 103 103 GLY CA C 103 46.328 46.328 43.783 2.545 18712 9832 1 16 . 1 1 103 103 GLY H H 103 8.075 8.075 7.563 0.512 18712 9833 1 16 . 1 1 104 104 ILE N N 104 122.219 122.219 118.636 3.583 18712 9834 1 16 . 1 1 104 104 ILE HA H 104 5.075 5.075 4.415 0.659 18712 9835 1 16 . 1 1 104 104 ILE CA C 104 58.281 58.281 60.249 -1.968 18712 9836 1 16 . 1 1 104 104 ILE CB C 104 40.703 40.703 42.467 -1.764 18712 9837 1 16 . 1 1 104 104 ILE H H 104 8.269 8.269 7.660 0.609 18712 9838 1 16 . 1 1 105 105 ILE N N 105 124.237 124.237 124.674 -0.437 18712 9839 1 16 . 1 1 105 105 ILE HA H 105 4.312 4.312 4.235 0.077 18712 9840 1 16 . 1 1 105 105 ILE CA C 105 60.390 60.390 61.274 -0.884 18712 9841 1 16 . 1 1 105 105 ILE CB C 105 34.375 34.375 35.139 -0.764 18712 9842 1 16 . 1 1 105 105 ILE H H 105 8.965 8.965 8.338 0.627 18712 9843 1 16 . 1 1 106 106 HIS N N 106 135.053 135.053 128.911 6.142 18712 9844 1 16 . 1 1 106 106 HIS HA H 106 4.506 4.506 4.727 -0.221 18712 9845 1 16 . 1 1 106 106 HIS CA C 106 57.578 57.578 57.079 0.499 18712 9846 1 16 . 1 1 106 106 HIS CB C 106 33.672 33.672 31.922 1.750 18712 9847 1 16 . 1 1 106 106 HIS H H 106 9.604 9.604 8.392 1.212 18712 9848 1 16 . 1 1 107 107 ASP N N 107 112.528 112.528 118.586 -6.058 18712 9849 1 16 . 1 1 107 107 ASP HA H 107 4.707 4.707 4.791 -0.084 18712 9850 1 16 . 1 1 107 107 ASP CB C 107 42.812 42.812 44.793 -1.981 18712 9851 1 16 . 1 1 107 107 ASP H H 107 7.930 7.930 7.826 0.104 18712 9852 1 16 . 1 1 108 108 VAL N N 108 121.656 121.656 121.000 0.656 18712 9853 1 16 . 1 1 108 108 VAL HA H 108 5.028 5.028 4.479 0.549 18712 9854 1 16 . 1 1 108 108 VAL CA C 108 61.796 61.796 61.495 0.301 18712 9855 1 16 . 1 1 108 108 VAL CB C 108 36.484 36.484 34.977 1.507 18712 9856 1 16 . 1 1 108 108 VAL H H 108 8.325 8.325 8.259 0.066 18712 9857 1 16 . 1 1 109 109 LYS N N 109 126.798 126.798 128.224 -1.426 18712 9858 1 16 . 1 1 109 109 LYS HA H 109 4.676 4.676 4.529 0.147 18712 9859 1 16 . 1 1 109 109 LYS CB C 109 37.187 37.187 34.119 3.068 18712 9860 1 16 . 1 1 109 109 LYS H H 109 9.417 9.417 8.206 1.211 18712 9861 1 16 . 1 1 110 110 VAL N N 110 121.892 121.892 123.141 -1.249 18712 9862 1 16 . 1 1 110 110 VAL HA H 110 4.676 4.676 4.358 0.318 18712 9863 1 16 . 1 1 110 110 VAL CB C 110 33.672 33.672 34.125 -0.453 18712 9864 1 16 . 1 1 110 110 VAL H H 110 8.206 8.206 8.123 0.083 18712 9865 1 16 . 1 1 111 111 PHE N N 111 126.578 126.578 128.071 -1.493 18712 9866 1 16 . 1 1 111 111 PHE HA H 111 4.995 4.995 4.879 0.116 18712 9867 1 16 . 1 1 111 111 PHE CA C 111 56.172 56.172 55.886 0.286 18712 9868 1 16 . 1 1 111 111 PHE CB C 111 42.109 42.109 41.557 0.552 18712 9869 1 16 . 1 1 111 111 PHE H H 111 9.459 9.459 9.229 0.230 18712 9870 1 16 . 1 1 112 112 ASN N N 112 121.797 121.797 120.445 1.352 18712 9871 1 16 . 1 1 112 112 ASN HA H 112 5.425 5.425 5.177 0.248 18712 9872 1 16 . 1 1 112 112 ASN CA C 112 52.656 52.656 52.289 0.367 18712 9873 1 16 . 1 1 112 112 ASN CB C 112 42.109 42.109 42.194 -0.085 18712 9874 1 16 . 1 1 112 112 ASN H H 112 10.663 10.663 8.653 2.010 18712 9875 1 16 . 1 1 113 113 ARG N N 113 130.516 130.516 126.697 3.819 18712 9876 1 16 . 1 1 113 113 ARG HA H 113 4.435 4.435 4.212 0.223 18712 9877 1 16 . 1 1 113 113 ARG CA C 113 59.687 59.687 59.313 0.374 18712 9878 1 16 . 1 1 113 113 ARG CB C 113 30.859 30.859 30.500 0.359 18712 9879 1 16 . 1 1 113 113 ARG H H 113 9.138 9.138 9.036 0.102 18712 9880 1 16 . 1 1 114 114 GLU N N 114 119.008 119.008 117.627 1.381 18712 9881 1 16 . 1 1 114 114 GLU HA H 114 4.142 4.142 4.088 0.054 18712 9882 1 16 . 1 1 114 114 GLU CA C 114 58.281 58.281 58.723 -0.442 18712 9883 1 16 . 1 1 114 114 GLU CB C 114 29.453 29.453 28.747 0.706 18712 9884 1 16 . 1 1 114 114 GLU H H 114 8.924 8.924 8.479 0.445 18712 9885 1 16 . 1 1 115 115 ASP N N 115 116.593 116.593 119.217 -2.624 18712 9886 1 16 . 1 1 115 115 ASP HA H 115 4.869 4.869 4.566 0.303 18712 9887 1 16 . 1 1 115 115 ASP CA C 115 54.062 54.062 54.200 -0.138 18712 9888 1 16 . 1 1 115 115 ASP CB C 115 42.109 42.109 41.727 0.382 18712 9889 1 16 . 1 1 115 115 ASP H H 115 7.356 7.356 7.755 -0.399 18712 9890 1 16 . 1 1 116 116 GLY N N 116 106.689 106.689 107.312 -0.623 18712 9891 1 16 . 1 1 116 116 GLY CA C 116 44.922 44.922 44.641 0.281 18712 9892 1 16 . 1 1 116 116 GLY H H 116 7.918 7.918 7.769 0.149 18712 9893 1 16 . 1 1 117 117 ASP N N 117 119.329 119.329 121.886 -2.557 18712 9894 1 16 . 1 1 117 117 ASP HA H 117 4.632 4.632 4.756 -0.124 18712 9895 1 16 . 1 1 117 117 ASP CA C 117 55.468 55.468 53.389 2.079 18712 9896 1 16 . 1 1 117 117 ASP CB C 117 41.406 41.406 41.294 0.112 18712 9897 1 16 . 1 1 117 117 ASP H H 117 7.220 7.220 7.824 -0.604 18712 9898 1 16 . 1 1 118 118 GLU N N 118 123.484 123.484 125.018 -1.534 18712 9899 1 16 . 1 1 118 118 GLU HA H 118 4.240 4.240 4.291 -0.051 18712 9900 1 16 . 1 1 118 118 GLU CA C 118 56.875 56.875 56.945 -0.070 18712 9901 1 16 . 1 1 118 118 GLU CB C 118 29.453 29.453 30.294 -0.841 18712 9902 1 16 . 1 1 118 118 GLU H H 118 8.626 8.626 8.468 0.158 18712 9903 1 16 . 1 1 119 119 LEU N N 119 129.139 129.139 123.490 5.649 18712 9904 1 16 . 1 1 119 119 LEU HA H 119 4.759 4.759 4.734 0.025 18712 9905 1 16 . 1 1 119 119 LEU CB C 119 44.219 44.219 44.070 0.149 18712 9906 1 16 . 1 1 119 119 LEU H H 119 8.106 8.106 8.139 -0.033 18712 9907 1 16 . 1 1 120 120 PRO CB C 120 31.914 31.914 30.794 1.119 18712 9908 1 16 . 1 1 121 121 PRO HA H 121 4.269 4.269 4.321 -0.052 18712 9909 1 16 . 1 1 121 121 PRO CA C 121 63.906 63.906 63.760 0.146 18712 9910 1 16 . 1 1 121 121 PRO CB C 121 31.563 31.563 30.995 0.568 18712 9911 1 16 . 1 1 122 122 GLY N N 122 112.656 112.656 111.844 0.812 18712 9912 1 16 . 1 1 122 122 GLY CA C 122 45.625 45.625 44.938 0.687 18712 9913 1 16 . 1 1 122 122 GLY H H 122 8.827 8.827 8.721 0.106 18712 9914 1 16 . 1 1 123 123 VAL N N 123 119.406 119.406 120.069 -0.663 18712 9915 1 16 . 1 1 123 123 VAL HA H 123 4.017 4.017 4.559 -0.542 18712 9916 1 16 . 1 1 123 123 VAL CA C 123 62.851 62.851 61.497 1.354 18712 9917 1 16 . 1 1 123 123 VAL CB C 123 32.266 32.266 33.024 -0.758 18712 9918 1 16 . 1 1 123 123 VAL H H 123 7.845 7.845 7.453 0.392 18712 9919 1 16 . 1 1 124 124 ASN N N 124 124.609 124.609 119.847 4.762 18712 9920 1 16 . 1 1 124 124 ASN HA H 124 4.877 4.877 4.889 -0.012 18712 9921 1 16 . 1 1 124 124 ASN CA C 124 54.765 54.765 53.135 1.631 18712 9922 1 16 . 1 1 124 124 ASN CB C 124 40.000 40.000 41.343 -1.343 18712 9923 1 16 . 1 1 124 124 ASN H H 124 9.206 9.206 8.739 0.467 18712 9924 1 16 . 1 1 125 125 GLN N N 125 117.959 117.959 115.128 2.831 18712 9925 1 16 . 1 1 125 125 GLN HA H 125 5.234 5.234 4.694 0.539 18712 9926 1 16 . 1 1 125 125 GLN CA C 125 56.172 56.172 55.257 0.915 18712 9927 1 16 . 1 1 125 125 GLN CB C 125 33.672 33.672 33.156 0.516 18712 9928 1 16 . 1 1 125 125 GLN H H 125 7.756 7.756 7.565 0.191 18712 9929 1 16 . 1 1 126 126 LEU N N 126 125.559 125.559 122.745 2.814 18712 9930 1 16 . 1 1 126 126 LEU HA H 126 5.261 5.261 5.004 0.257 18712 9931 1 16 . 1 1 126 126 LEU CA C 126 54.765 54.765 54.767 -0.002 18712 9932 1 16 . 1 1 126 126 LEU CB C 126 47.734 47.734 45.929 1.805 18712 9933 1 16 . 1 1 126 126 LEU H H 126 8.866 8.866 8.420 0.446 18712 9934 1 16 . 1 1 127 127 VAL N N 127 126.578 126.578 126.257 0.321 18712 9935 1 16 . 1 1 127 127 VAL HA H 127 5.127 5.127 4.882 0.245 18712 9936 1 16 . 1 1 127 127 VAL CA C 127 60.390 60.390 59.857 0.533 18712 9937 1 16 . 1 1 127 127 VAL CB C 127 35.078 35.078 35.544 -0.466 18712 9938 1 16 . 1 1 127 127 VAL H H 127 9.367 9.367 8.978 0.389 18712 9939 1 16 . 1 1 128 128 ARG N N 128 126.578 126.578 125.012 1.566 18712 9940 1 16 . 1 1 128 128 ARG HA H 128 5.259 5.259 5.247 0.012 18712 9941 1 16 . 1 1 128 128 ARG CA C 128 54.765 54.765 53.892 0.873 18712 9942 1 16 . 1 1 128 128 ARG CB C 128 33.672 33.672 35.087 -1.415 18712 9943 1 16 . 1 1 128 128 ARG H H 128 9.502 9.502 8.907 0.595 18712 9944 1 16 . 1 1 129 129 VAL N N 129 123.977 123.977 119.059 4.918 18712 9945 1 16 . 1 1 129 129 VAL HA H 129 4.489 4.489 4.456 0.033 18712 9946 1 16 . 1 1 129 129 VAL CA C 129 61.093 61.093 61.393 -0.300 18712 9947 1 16 . 1 1 129 129 VAL CB C 129 35.078 35.078 34.893 0.185 18712 9948 1 16 . 1 1 129 129 VAL H H 129 9.051 9.051 8.128 0.923 18712 9949 1 16 . 1 1 130 130 TYR N N 130 124.673 124.673 123.305 1.368 18712 9950 1 16 . 1 1 130 130 TYR HA H 130 5.419 5.419 5.073 0.346 18712 9951 1 16 . 1 1 130 130 TYR CA C 130 56.172 56.172 56.509 -0.337 18712 9952 1 16 . 1 1 130 130 TYR CB C 130 39.297 39.297 40.586 -1.289 18712 9953 1 16 . 1 1 130 130 TYR H H 130 8.650 8.650 8.506 0.144 18712 9954 1 16 . 1 1 131 131 ILE N N 131 125.227 125.227 123.809 1.418 18712 9955 1 16 . 1 1 131 131 ILE HA H 131 4.869 4.869 4.689 0.180 18712 9956 1 16 . 1 1 131 131 ILE CB C 131 40.000 40.000 41.134 -1.134 18712 9957 1 16 . 1 1 131 131 ILE H H 131 9.509 9.509 8.893 0.616 18712 9958 1 16 . 1 1 132 132 VAL N N 132 126.859 126.859 124.029 2.830 18712 9959 1 16 . 1 1 132 132 VAL HA H 132 4.729 4.729 4.637 0.092 18712 9960 1 16 . 1 1 132 132 VAL CA C 132 61.093 61.093 60.922 0.171 18712 9961 1 16 . 1 1 132 132 VAL CB C 132 33.672 33.672 32.792 0.880 18712 9962 1 16 . 1 1 132 132 VAL H H 132 9.606 9.606 8.063 1.543 18712 9963 1 16 . 1 1 133 133 GLN N N 133 128.406 128.406 126.134 2.272 18712 9964 1 16 . 1 1 133 133 GLN HA H 133 4.751 4.751 4.550 0.201 18712 9965 1 16 . 1 1 133 133 GLN CA C 133 54.765 54.765 55.508 -0.743 18712 9966 1 16 . 1 1 133 133 GLN CB C 133 31.563 31.563 29.327 2.236 18712 9967 1 16 . 1 1 133 133 GLN H H 133 9.153 9.153 8.521 0.632 18712 9968 1 16 . 1 1 134 134 LYS N N 134 122.929 122.929 122.343 0.586 18712 9969 1 16 . 1 1 134 134 LYS HA H 134 4.725 4.725 4.619 0.106 18712 9970 1 16 . 1 1 134 134 LYS CA C 134 56.172 56.172 54.952 1.220 18712 9971 1 16 . 1 1 134 134 LYS CB C 134 33.320 33.320 33.702 -0.382 18712 9972 1 16 . 1 1 134 134 LYS H H 134 8.561 8.561 8.316 0.245 18712 9973 1 16 . 1 1 135 135 ARG N N 135 123.484 123.484 121.816 1.668 18712 9974 1 16 . 1 1 135 135 ARG HA H 135 4.503 4.503 4.305 0.198 18712 9975 1 16 . 1 1 135 135 ARG CA C 135 55.468 55.468 55.856 -0.388 18712 9976 1 16 . 1 1 135 135 ARG CB C 135 32.266 32.266 30.383 1.883 18712 9977 1 16 . 1 1 135 135 ARG H H 135 8.596 8.596 8.428 0.168 18712 9978 1 16 . 1 1 136 136 LYS N N 136 123.906 123.906 123.413 0.493 18712 9979 1 16 . 1 1 136 136 LYS HA H 136 4.467 4.467 4.105 0.362 18712 9980 1 16 . 1 1 136 136 LYS CA C 136 56.172 56.172 56.826 -0.654 18712 9981 1 16 . 1 1 136 136 LYS CB C 136 32.969 32.969 32.723 0.246 18712 9982 1 16 . 1 1 136 136 LYS H H 136 8.608 8.608 8.282 0.326 18712 9983 1 16 . 1 1 137 137 ILE N N 137 123.571 123.571 117.483 6.088 18712 9984 1 16 . 1 1 137 137 ILE HA H 137 4.184 4.184 4.818 -0.634 18712 9985 1 16 . 1 1 137 137 ILE CA C 137 61.093 61.093 59.678 1.415 18712 9986 1 16 . 1 1 137 137 ILE CB C 137 38.594 38.594 40.493 -1.899 18712 9987 1 16 . 1 1 137 137 ILE H H 137 8.353 8.353 8.739 -0.386 18712 9988 1 16 . 1 1 138 138 SER N N 138 119.547 119.547 115.485 4.062 18712 9989 1 16 . 1 1 138 138 SER HA H 138 4.503 4.503 4.729 -0.226 18712 9990 1 16 . 1 1 138 138 SER CA C 138 58.281 58.281 57.586 0.695 18712 9991 1 16 . 1 1 138 138 SER CB C 138 63.906 63.906 64.417 -0.511 18712 9992 1 16 . 1 1 138 138 SER H H 138 8.410 8.410 8.214 0.196 18712 9993 1 16 . 1 1 139 139 GLU N N 139 123.281 123.281 122.978 0.303 18712 9994 1 16 . 1 1 139 139 GLU HA H 139 4.307 4.307 4.171 0.136 18712 9995 1 16 . 1 1 139 139 GLU CA C 139 56.875 56.875 57.121 -0.246 18712 9996 1 16 . 1 1 139 139 GLU CB C 139 30.156 30.156 29.913 0.243 18712 9997 1 16 . 1 1 139 139 GLU H H 139 8.489 8.489 8.943 -0.454 18712 9998 1 16 . 1 1 140 140 GLY N N 140 109.792 109.792 107.610 2.182 18712 9999 1 16 . 1 1 140 140 GLY CA C 140 45.625 45.625 45.126 0.499 18712 10000 1 16 . 1 1 140 140 GLY H H 140 8.418 8.418 8.395 0.023 18712 10001 1 17 . 1 1 4 4 VAL N N 4 119.125 119.125 121.845 -2.720 18712 10002 1 17 . 1 1 4 4 VAL HA H 4 4.070 4.070 4.528 -0.458 18712 10003 1 17 . 1 1 4 4 VAL CA C 4 62.500 62.500 61.920 0.580 18712 10004 1 17 . 1 1 4 4 VAL CB C 4 32.969 32.969 33.464 -0.495 18712 10005 1 17 . 1 1 4 4 VAL H H 4 7.998 7.998 8.297 -0.299 18712 10006 1 17 . 1 1 5 5 TYR N N 5 122.640 122.640 123.009 -0.369 18712 10007 1 17 . 1 1 5 5 TYR HA H 5 4.674 4.674 5.012 -0.338 18712 10008 1 17 . 1 1 5 5 TYR CA C 5 58.281 58.281 57.148 1.133 18712 10009 1 17 . 1 1 5 5 TYR CB C 5 38.594 38.594 39.468 -0.874 18712 10010 1 17 . 1 1 5 5 TYR H H 5 8.305 8.305 8.235 0.070 18712 10011 1 17 . 1 1 6 6 THR N N 6 114.861 114.861 117.478 -2.617 18712 10012 1 17 . 1 1 6 6 THR HA H 6 4.548 4.548 4.444 0.104 18712 10013 1 17 . 1 1 6 6 THR CA C 6 61.796 61.796 60.358 1.438 18712 10014 1 17 . 1 1 6 6 THR CB C 6 70.234 70.234 70.392 -0.158 18712 10015 1 17 . 1 1 6 6 THR H H 6 8.003 8.003 8.365 -0.362 18712 10016 1 17 . 1 1 7 7 SER N N 7 118.140 118.140 118.647 -0.507 18712 10017 1 17 . 1 1 7 7 SER HA H 7 4.600 4.600 4.500 0.100 18712 10018 1 17 . 1 1 7 7 SER CA C 7 57.578 57.578 58.099 -0.521 18712 10019 1 17 . 1 1 7 7 SER CB C 7 64.609 64.609 63.703 0.906 18712 10020 1 17 . 1 1 7 7 SER H H 7 8.487 8.487 8.307 0.180 18712 10021 1 17 . 1 1 8 8 ILE N N 8 121.375 121.375 120.098 1.277 18712 10022 1 17 . 1 1 8 8 ILE HA H 8 4.627 4.627 4.325 0.302 18712 10023 1 17 . 1 1 8 8 ILE CA C 8 60.390 60.390 61.362 -0.972 18712 10024 1 17 . 1 1 8 8 ILE CB C 8 40.000 40.000 38.775 1.225 18712 10025 1 17 . 1 1 8 8 ILE H H 8 8.139 8.139 8.140 -0.001 18712 10026 1 17 . 1 1 9 9 HIS N N 9 125.734 125.734 125.202 0.532 18712 10027 1 17 . 1 1 9 9 HIS HA H 9 4.768 4.768 4.784 -0.016 18712 10028 1 17 . 1 1 9 9 HIS CB C 9 32.617 32.617 33.891 -1.274 18712 10029 1 17 . 1 1 9 9 HIS H H 9 8.743 8.743 8.476 0.267 18712 10030 1 17 . 1 1 10 10 ILE N N 10 125.875 125.875 121.936 3.939 18712 10031 1 17 . 1 1 10 10 ILE HA H 10 4.806 4.806 4.862 -0.056 18712 10032 1 17 . 1 1 10 10 ILE CB C 10 39.297 39.297 39.365 -0.068 18712 10033 1 17 . 1 1 10 10 ILE H H 10 8.035 8.035 8.691 -0.656 18712 10034 1 17 . 1 1 11 11 GLU N N 11 129.438 129.438 128.961 0.477 18712 10035 1 17 . 1 1 11 11 GLU HA H 11 4.472 4.472 4.276 0.196 18712 10036 1 17 . 1 1 11 11 GLU CA C 11 54.062 54.062 55.075 -1.013 18712 10037 1 17 . 1 1 11 11 GLU CB C 11 32.617 32.617 31.416 1.201 18712 10038 1 17 . 1 1 11 11 GLU H H 11 8.934 8.934 9.098 -0.164 18712 10039 1 17 . 1 1 12 12 GLU N N 12 123.983 123.983 121.042 2.941 18712 10040 1 17 . 1 1 12 12 GLU HA H 12 4.752 4.752 4.324 0.428 18712 10041 1 17 . 1 1 12 12 GLU CA C 12 54.062 54.062 55.122 -1.060 18712 10042 1 17 . 1 1 12 12 GLU CB C 12 32.617 32.617 30.339 2.278 18712 10043 1 17 . 1 1 12 12 GLU H H 12 8.192 8.192 8.090 0.102 18712 10044 1 17 . 1 1 13 13 TYR N N 13 122.826 122.826 123.474 -0.648 18712 10045 1 17 . 1 1 13 13 TYR HA H 13 4.741 4.741 4.713 0.028 18712 10046 1 17 . 1 1 13 13 TYR CB C 13 42.812 42.812 41.276 1.536 18712 10047 1 17 . 1 1 13 13 TYR H H 13 8.926 8.926 8.318 0.608 18712 10048 1 17 . 1 1 14 14 GLU N N 14 119.329 119.329 122.728 -3.399 18712 10049 1 17 . 1 1 14 14 GLU HA H 14 5.647 5.647 4.761 0.886 18712 10050 1 17 . 1 1 14 14 GLU CA C 14 54.765 54.765 55.164 -0.399 18712 10051 1 17 . 1 1 14 14 GLU CB C 14 34.375 34.375 32.622 1.753 18712 10052 1 17 . 1 1 14 14 GLU H H 14 8.716 8.716 8.638 0.078 18712 10053 1 17 . 1 1 15 15 SER N N 15 116.172 116.172 117.303 -1.131 18712 10054 1 17 . 1 1 15 15 SER HA H 15 4.616 4.616 4.757 -0.141 18712 10055 1 17 . 1 1 15 15 SER CA C 15 57.578 57.578 57.977 -0.399 18712 10056 1 17 . 1 1 15 15 SER CB C 15 66.015 66.015 64.432 1.583 18712 10057 1 17 . 1 1 15 15 SER H H 15 8.922 8.922 8.312 0.610 18712 10058 1 17 . 1 1 16 16 GLU N N 16 125.172 125.172 124.252 0.920 18712 10059 1 17 . 1 1 16 16 GLU HA H 16 5.082 5.082 4.840 0.242 18712 10060 1 17 . 1 1 16 16 GLU CA C 16 54.062 54.062 54.687 -0.625 18712 10061 1 17 . 1 1 16 16 GLU CB C 16 32.969 32.969 33.182 -0.213 18712 10062 1 17 . 1 1 16 16 GLU H H 16 8.587 8.587 8.339 0.248 18712 10063 1 17 . 1 1 17 17 ALA N N 17 124.890 124.890 126.256 -1.366 18712 10064 1 17 . 1 1 17 17 ALA HA H 17 4.969 4.969 4.494 0.475 18712 10065 1 17 . 1 1 17 17 ALA CA C 17 50.547 50.547 51.419 -0.872 18712 10066 1 17 . 1 1 17 17 ALA CB C 17 19.610 19.610 19.320 0.290 18712 10067 1 17 . 1 1 17 17 ALA H H 17 9.000 9.000 8.296 0.704 18712 10068 1 17 . 1 1 18 18 ARG N N 18 125.376 125.376 125.295 0.081 18712 10069 1 17 . 1 1 18 18 ARG HA H 18 5.175 5.175 5.146 0.029 18712 10070 1 17 . 1 1 18 18 ARG CA C 18 54.765 54.765 54.692 0.073 18712 10071 1 17 . 1 1 18 18 ARG CB C 18 34.375 34.375 31.570 2.805 18712 10072 1 17 . 1 1 18 18 ARG H H 18 9.624 9.624 8.131 1.493 18712 10073 1 17 . 1 1 19 19 ASP N N 19 119.828 119.828 123.653 -3.825 18712 10074 1 17 . 1 1 19 19 ASP HA H 19 4.685 4.685 4.491 0.194 18712 10075 1 17 . 1 1 19 19 ASP CA C 19 55.117 55.117 54.470 0.647 18712 10076 1 17 . 1 1 19 19 ASP CB C 19 41.406 41.406 41.045 0.361 18712 10077 1 17 . 1 1 19 19 ASP H H 19 8.420 8.420 8.555 -0.135 18712 10078 1 17 . 1 1 20 20 THR N N 20 112.948 112.948 115.039 -2.091 18712 10079 1 17 . 1 1 20 20 THR HA H 20 4.979 4.979 4.396 0.583 18712 10080 1 17 . 1 1 20 20 THR CA C 20 60.390 60.390 61.553 -1.163 18712 10081 1 17 . 1 1 20 20 THR CB C 20 73.046 73.046 70.206 2.840 18712 10082 1 17 . 1 1 20 20 THR H H 20 7.602 7.602 8.332 -0.730 18712 10083 1 17 . 1 1 21 21 LYS HA H 21 4.146 4.146 4.372 -0.226 18712 10084 1 17 . 1 1 21 21 LYS CA C 21 58.984 58.984 57.941 1.044 18712 10085 1 17 . 1 1 21 21 LYS CB C 21 32.266 32.266 31.506 0.760 18712 10086 1 17 . 1 1 22 22 LEU N N 22 117.346 117.346 120.192 -2.846 18712 10087 1 17 . 1 1 22 22 LEU HA H 22 4.532 4.532 4.494 0.038 18712 10088 1 17 . 1 1 22 22 LEU CA C 22 54.062 54.062 54.584 -0.522 18712 10089 1 17 . 1 1 22 22 LEU CB C 22 42.812 42.812 41.737 1.075 18712 10090 1 17 . 1 1 22 22 LEU H H 22 7.848 7.848 7.405 0.443 18712 10091 1 17 . 1 1 23 23 GLY N N 23 108.437 108.437 109.436 -0.999 18712 10092 1 17 . 1 1 23 23 GLY CA C 23 43.516 43.516 44.379 -0.863 18712 10093 1 17 . 1 1 23 23 GLY H H 23 7.407 7.407 7.381 0.026 18712 10094 1 17 . 1 1 24 24 PRO HA H 24 4.894 4.894 4.582 0.312 18712 10095 1 17 . 1 1 24 24 PRO CA C 24 63.906 63.906 62.441 1.465 18712 10096 1 17 . 1 1 24 24 PRO CB C 24 31.563 31.563 33.215 -1.653 18712 10097 1 17 . 1 1 25 25 GLU N N 25 118.281 118.281 118.353 -0.072 18712 10098 1 17 . 1 1 25 25 GLU HA H 25 4.621 4.621 4.378 0.243 18712 10099 1 17 . 1 1 25 25 GLU CA C 25 56.523 56.523 56.698 -0.175 18712 10100 1 17 . 1 1 25 25 GLU CB C 25 32.266 32.266 31.194 1.072 18712 10101 1 17 . 1 1 25 25 GLU H H 25 8.341 8.341 8.948 -0.607 18712 10102 1 17 . 1 1 26 26 GLU N N 26 119.406 119.406 119.197 0.209 18712 10103 1 17 . 1 1 26 26 GLU HA H 26 4.710 4.710 4.484 0.226 18712 10104 1 17 . 1 1 26 26 GLU CA C 26 54.765 54.765 55.811 -1.046 18712 10105 1 17 . 1 1 26 26 GLU CB C 26 33.672 33.672 30.901 2.771 18712 10106 1 17 . 1 1 26 26 GLU H H 26 8.336 8.336 7.768 0.568 18712 10107 1 17 . 1 1 27 27 ILE N N 27 127.472 127.472 121.838 5.634 18712 10108 1 17 . 1 1 27 27 ILE HA H 27 5.009 5.009 4.214 0.795 18712 10109 1 17 . 1 1 27 27 ILE CA C 27 60.390 60.390 62.136 -1.746 18712 10110 1 17 . 1 1 27 27 ILE CB C 27 37.187 37.187 38.722 -1.535 18712 10111 1 17 . 1 1 27 27 ILE H H 27 8.405 8.405 8.569 -0.164 18712 10112 1 17 . 1 1 28 28 THR N N 28 124.387 124.387 121.813 2.574 18712 10113 1 17 . 1 1 28 28 THR HA H 28 4.492 4.492 4.586 -0.094 18712 10114 1 17 . 1 1 28 28 THR CA C 28 59.687 59.687 60.176 -0.489 18712 10115 1 17 . 1 1 28 28 THR CB C 28 68.125 68.125 70.098 -1.973 18712 10116 1 17 . 1 1 28 28 THR H H 28 8.191 8.191 8.401 -0.210 18712 10117 1 17 . 1 1 29 29 ARG N N 29 120.568 120.568 119.771 0.797 18712 10118 1 17 . 1 1 29 29 ARG HA H 29 4.202 4.202 4.713 -0.511 18712 10119 1 17 . 1 1 29 29 ARG CA C 29 55.468 55.468 54.919 0.549 18712 10120 1 17 . 1 1 29 29 ARG CB C 29 32.266 32.266 31.631 0.635 18712 10121 1 17 . 1 1 29 29 ARG H H 29 7.995 7.995 8.408 -0.413 18712 10122 1 17 . 1 1 30 30 ASP N N 30 123.906 123.906 122.928 0.978 18712 10123 1 17 . 1 1 30 30 ASP HA H 30 4.619 4.619 4.738 -0.119 18712 10124 1 17 . 1 1 30 30 ASP CA C 30 53.359 53.359 53.911 -0.552 18712 10125 1 17 . 1 1 30 30 ASP CB C 30 38.594 38.594 42.331 -3.737 18712 10126 1 17 . 1 1 30 30 ASP H H 30 8.784 8.784 8.680 0.104 18712 10127 1 17 . 1 1 31 31 ILE N N 31 123.422 123.422 123.557 -0.135 18712 10128 1 17 . 1 1 31 31 ILE HA H 31 4.063 4.063 4.469 -0.406 18712 10129 1 17 . 1 1 31 31 ILE CA C 31 57.578 57.578 56.717 0.861 18712 10130 1 17 . 1 1 31 31 ILE CB C 31 40.703 40.703 37.227 3.476 18712 10131 1 17 . 1 1 31 31 ILE H H 31 7.404 7.404 8.107 -0.703 18712 10132 1 17 . 1 1 32 32 PRO HA H 32 4.273 4.273 4.547 -0.274 18712 10133 1 17 . 1 1 32 32 PRO CA C 32 63.554 63.554 63.069 0.485 18712 10134 1 17 . 1 1 32 32 PRO CB C 32 32.266 32.266 32.460 -0.194 18712 10135 1 17 . 1 1 33 33 ASN N N 33 114.027 114.027 115.956 -1.929 18712 10136 1 17 . 1 1 33 33 ASN HA H 33 4.269 4.269 4.365 -0.096 18712 10137 1 17 . 1 1 33 33 ASN CA C 33 55.117 55.117 53.868 1.249 18712 10138 1 17 . 1 1 33 33 ASN CB C 33 37.891 37.891 37.269 0.622 18712 10139 1 17 . 1 1 33 33 ASN H H 33 8.880 8.880 8.674 0.206 18712 10140 1 17 . 1 1 34 34 VAL N N 34 117.111 117.111 120.426 -3.315 18712 10141 1 17 . 1 1 34 34 VAL HA H 34 4.249 4.249 4.248 0.001 18712 10142 1 17 . 1 1 34 34 VAL CA C 34 62.148 62.148 61.588 0.560 18712 10143 1 17 . 1 1 34 34 VAL CB C 34 33.672 33.672 33.603 0.069 18712 10144 1 17 . 1 1 34 34 VAL H H 34 7.328 7.328 7.569 -0.241 18712 10145 1 17 . 1 1 35 35 GLY N N 35 113.600 113.600 112.273 1.327 18712 10146 1 17 . 1 1 35 35 GLY CA C 35 44.219 44.219 44.406 -0.187 18712 10147 1 17 . 1 1 35 35 GLY H H 35 8.653 8.653 8.227 0.426 18712 10148 1 17 . 1 1 36 36 GLU N N 36 118.562 118.562 123.380 -4.818 18712 10149 1 17 . 1 1 36 36 GLU HA H 36 3.888 3.888 3.961 -0.073 18712 10150 1 17 . 1 1 36 36 GLU CA C 36 59.687 59.687 58.921 0.766 18712 10151 1 17 . 1 1 36 36 GLU CB C 36 29.453 29.453 29.075 0.378 18712 10152 1 17 . 1 1 36 36 GLU H H 36 8.457 8.457 8.859 -0.402 18712 10153 1 17 . 1 1 37 37 ASP N N 37 118.140 118.140 119.886 -1.746 18712 10154 1 17 . 1 1 37 37 ASP HA H 37 4.335 4.335 4.488 -0.153 18712 10155 1 17 . 1 1 37 37 ASP CA C 37 56.875 56.875 56.527 0.348 18712 10156 1 17 . 1 1 37 37 ASP CB C 37 40.000 40.000 40.417 -0.417 18712 10157 1 17 . 1 1 37 37 ASP H H 37 8.728 8.728 8.579 0.149 18712 10158 1 17 . 1 1 38 38 ALA N N 38 120.752 120.752 121.249 -0.497 18712 10159 1 17 . 1 1 38 38 ALA HA H 38 4.288 4.288 4.157 0.131 18712 10160 1 17 . 1 1 38 38 ALA CA C 38 53.359 53.359 54.380 -1.021 18712 10161 1 17 . 1 1 38 38 ALA CB C 38 18.555 18.555 19.061 -0.506 18712 10162 1 17 . 1 1 38 38 ALA H H 38 7.642 7.642 7.819 -0.177 18712 10163 1 17 . 1 1 39 39 LEU N N 39 117.015 117.015 112.299 4.716 18712 10164 1 17 . 1 1 39 39 LEU HA H 39 4.295 4.295 4.738 -0.443 18712 10165 1 17 . 1 1 39 39 LEU CA C 39 54.765 54.765 54.063 0.702 18712 10166 1 17 . 1 1 39 39 LEU CB C 39 43.164 43.164 41.447 1.717 18712 10167 1 17 . 1 1 39 39 LEU H H 39 7.446 7.446 7.110 0.336 18712 10168 1 17 . 1 1 40 40 ARG N N 40 118.017 118.017 119.205 -1.188 18712 10169 1 17 . 1 1 40 40 ARG HA H 40 4.064 4.064 4.094 -0.030 18712 10170 1 17 . 1 1 40 40 ARG CA C 40 59.687 59.687 58.407 1.280 18712 10171 1 17 . 1 1 40 40 ARG CB C 40 30.508 30.508 30.318 0.190 18712 10172 1 17 . 1 1 40 40 ARG H H 40 7.079 7.079 7.675 -0.596 18712 10173 1 17 . 1 1 41 41 ASN N N 41 115.439 115.439 115.620 -0.181 18712 10174 1 17 . 1 1 41 41 ASN HA H 41 4.996 4.996 4.716 0.280 18712 10175 1 17 . 1 1 41 41 ASN CA C 41 53.359 53.359 53.341 0.018 18712 10176 1 17 . 1 1 41 41 ASN CB C 41 39.297 39.297 38.972 0.325 18712 10177 1 17 . 1 1 41 41 ASN H H 41 9.057 9.057 8.318 0.739 18712 10178 1 17 . 1 1 42 42 LEU N N 42 118.703 118.703 121.067 -2.364 18712 10179 1 17 . 1 1 42 42 LEU HA H 42 4.403 4.403 4.134 0.269 18712 10180 1 17 . 1 1 42 42 LEU CA C 42 54.062 54.062 56.502 -2.440 18712 10181 1 17 . 1 1 42 42 LEU CB C 42 42.812 42.812 42.643 0.169 18712 10182 1 17 . 1 1 42 42 LEU H H 42 7.719 7.719 7.799 -0.080 18712 10183 1 17 . 1 1 43 43 ASP N N 43 122.791 122.791 124.786 -1.995 18712 10184 1 17 . 1 1 43 43 ASP HA H 43 4.481 4.481 4.839 -0.358 18712 10185 1 17 . 1 1 43 43 ASP CA C 43 52.656 52.656 52.834 -0.178 18712 10186 1 17 . 1 1 43 43 ASP CB C 43 39.648 39.648 42.033 -2.385 18712 10187 1 17 . 1 1 43 43 ASP H H 43 8.933 8.933 8.012 0.921 18712 10188 1 17 . 1 1 44 44 ASP N N 44 114.917 114.917 119.531 -4.614 18712 10189 1 17 . 1 1 44 44 ASP HA H 44 4.278 4.278 4.494 -0.216 18712 10190 1 17 . 1 1 44 44 ASP CA C 44 56.875 56.875 56.069 0.806 18712 10191 1 17 . 1 1 44 44 ASP CB C 44 40.000 40.000 40.674 -0.674 18712 10192 1 17 . 1 1 44 44 ASP H H 44 8.281 8.281 8.803 -0.522 18712 10193 1 17 . 1 1 45 45 ARG N N 45 118.140 118.140 116.772 1.368 18712 10194 1 17 . 1 1 45 45 ARG HA H 45 4.366 4.366 4.261 0.105 18712 10195 1 17 . 1 1 45 45 ARG CA C 45 55.117 55.117 56.675 -1.558 18712 10196 1 17 . 1 1 45 45 ARG CB C 45 30.859 30.859 30.113 0.746 18712 10197 1 17 . 1 1 45 45 ARG H H 45 8.500 8.500 8.225 0.275 18712 10198 1 17 . 1 1 46 46 GLY N N 46 101.828 101.828 108.431 -6.603 18712 10199 1 17 . 1 1 46 46 GLY CA C 46 45.273 45.273 45.063 0.210 18712 10200 1 17 . 1 1 46 46 GLY H H 46 7.680 7.680 7.799 -0.119 18712 10201 1 17 . 1 1 47 47 VAL N N 47 119.955 119.955 118.407 1.548 18712 10202 1 17 . 1 1 47 47 VAL HA H 47 4.406 4.406 4.259 0.147 18712 10203 1 17 . 1 1 47 47 VAL CA C 47 61.796 61.796 59.804 1.992 18712 10204 1 17 . 1 1 47 47 VAL CB C 47 33.672 33.672 35.033 -1.361 18712 10205 1 17 . 1 1 47 47 VAL H H 47 8.007 8.007 7.375 0.632 18712 10206 1 17 . 1 1 48 48 ILE N N 48 128.406 128.406 123.516 4.890 18712 10207 1 17 . 1 1 48 48 ILE HA H 48 4.202 4.202 3.984 0.218 18712 10208 1 17 . 1 1 48 48 ILE CA C 48 59.687 59.687 60.815 -1.128 18712 10209 1 17 . 1 1 48 48 ILE CB C 48 38.945 38.945 37.116 1.829 18712 10210 1 17 . 1 1 48 48 ILE H H 48 8.145 8.145 8.455 -0.310 18712 10211 1 17 . 1 1 49 49 ARG N N 49 123.765 123.765 127.104 -3.339 18712 10212 1 17 . 1 1 49 49 ARG HA H 49 4.328 4.328 4.235 0.093 18712 10213 1 17 . 1 1 49 49 ARG CA C 49 56.875 56.875 56.181 0.694 18712 10214 1 17 . 1 1 49 49 ARG CB C 49 31.563 31.563 31.579 -0.016 18712 10215 1 17 . 1 1 49 49 ARG H H 49 7.447 7.447 7.715 -0.268 18712 10216 1 17 . 1 1 50 50 ILE N N 50 121.094 121.094 119.973 1.121 18712 10217 1 17 . 1 1 50 50 ILE HA H 50 3.414 3.414 3.854 -0.440 18712 10218 1 17 . 1 1 50 50 ILE CA C 50 64.609 64.609 61.193 3.416 18712 10219 1 17 . 1 1 50 50 ILE H H 50 8.284 8.284 8.268 0.016 18712 10220 1 17 . 1 1 51 51 GLY N N 51 115.791 115.791 112.961 2.830 18712 10221 1 17 . 1 1 51 51 GLY CA C 51 44.922 44.922 45.230 -0.308 18712 10222 1 17 . 1 1 51 51 GLY H H 51 8.679 8.679 8.902 -0.223 18712 10223 1 17 . 1 1 52 52 ALA N N 52 122.065 122.065 122.899 -0.834 18712 10224 1 17 . 1 1 52 52 ALA HA H 52 4.246 4.246 4.579 -0.333 18712 10225 1 17 . 1 1 52 52 ALA CA C 52 52.656 52.656 50.682 1.974 18712 10226 1 17 . 1 1 52 52 ALA CB C 52 18.906 18.906 20.305 -1.399 18712 10227 1 17 . 1 1 52 52 ALA H H 52 7.496 7.496 7.491 0.005 18712 10228 1 17 . 1 1 53 53 GLU N N 53 121.468 121.468 123.268 -1.800 18712 10229 1 17 . 1 1 53 53 GLU HA H 53 4.892 4.892 4.205 0.687 18712 10230 1 17 . 1 1 53 53 GLU CB C 53 30.508 30.508 30.198 0.310 18712 10231 1 17 . 1 1 53 53 GLU H H 53 8.427 8.427 8.588 -0.161 18712 10232 1 17 . 1 1 54 54 VAL N N 54 117.437 117.437 124.018 -6.581 18712 10233 1 17 . 1 1 54 54 VAL HA H 54 4.979 4.979 4.115 0.864 18712 10234 1 17 . 1 1 54 54 VAL CA C 54 58.632 58.632 60.534 -1.902 18712 10235 1 17 . 1 1 54 54 VAL CB C 54 35.781 35.781 33.126 2.655 18712 10236 1 17 . 1 1 54 54 VAL H H 54 9.002 9.002 8.165 0.838 18712 10237 1 17 . 1 1 55 55 LYS N N 55 123.906 123.906 123.846 0.060 18712 10238 1 17 . 1 1 55 55 LYS HA H 55 4.698 4.698 4.583 0.115 18712 10239 1 17 . 1 1 55 55 LYS CA C 55 53.359 53.359 54.894 -1.535 18712 10240 1 17 . 1 1 55 55 LYS CB C 55 35.781 35.781 34.829 0.952 18712 10241 1 17 . 1 1 55 55 LYS H H 55 9.244 9.244 8.060 1.184 18712 10242 1 17 . 1 1 56 56 ASP N N 56 118.562 118.562 120.270 -1.708 18712 10243 1 17 . 1 1 56 56 ASP HA H 56 3.764 3.764 4.292 -0.528 18712 10244 1 17 . 1 1 56 56 ASP CA C 56 56.172 56.172 55.589 0.583 18712 10245 1 17 . 1 1 56 56 ASP CB C 56 40.000 40.000 40.412 -0.412 18712 10246 1 17 . 1 1 56 56 ASP H H 56 8.176 8.176 8.481 -0.305 18712 10247 1 17 . 1 1 57 57 GLY N N 57 112.515 112.515 112.772 -0.257 18712 10248 1 17 . 1 1 57 57 GLY CA C 57 45.625 45.625 45.096 0.529 18712 10249 1 17 . 1 1 57 57 GLY H H 57 8.841 8.841 8.916 -0.075 18712 10250 1 17 . 1 1 58 58 ASP N N 58 121.375 121.375 122.487 -1.112 18712 10251 1 17 . 1 1 58 58 ASP HA H 58 4.532 4.532 4.858 -0.326 18712 10252 1 17 . 1 1 58 58 ASP CA C 58 54.765 54.765 53.154 1.611 18712 10253 1 17 . 1 1 58 58 ASP CB C 58 41.055 41.055 40.002 1.053 18712 10254 1 17 . 1 1 58 58 ASP H H 58 8.209 8.209 8.007 0.202 18712 10255 1 17 . 1 1 59 59 LEU N N 59 119.828 119.828 122.100 -2.272 18712 10256 1 17 . 1 1 59 59 LEU HA H 59 3.976 3.976 4.233 -0.257 18712 10257 1 17 . 1 1 59 59 LEU CA C 59 56.875 56.875 55.127 1.748 18712 10258 1 17 . 1 1 59 59 LEU CB C 59 44.219 44.219 42.640 1.579 18712 10259 1 17 . 1 1 59 59 LEU H H 59 8.570 8.570 7.816 0.754 18712 10260 1 17 . 1 1 60 60 LEU N N 60 116.594 116.594 113.994 2.600 18712 10261 1 17 . 1 1 60 60 LEU HA H 60 4.518 4.518 3.992 0.526 18712 10262 1 17 . 1 1 60 60 LEU CB C 60 44.922 44.922 40.388 4.534 18712 10263 1 17 . 1 1 60 60 LEU H H 60 8.816 8.816 7.825 0.991 18712 10264 1 17 . 1 1 61 61 VAL N N 61 115.656 115.656 116.383 -0.727 18712 10265 1 17 . 1 1 61 61 VAL HA H 61 4.618 4.618 4.190 0.428 18712 10266 1 17 . 1 1 61 61 VAL CA C 61 61.093 61.093 60.186 0.907 18712 10267 1 17 . 1 1 61 61 VAL CB C 61 36.484 36.484 35.126 1.358 18712 10268 1 17 . 1 1 61 61 VAL H H 61 7.322 7.322 7.346 -0.024 18712 10269 1 17 . 1 1 62 62 GLY N N 62 117.191 117.191 113.778 3.413 18712 10270 1 17 . 1 1 62 62 GLY CA C 62 45.625 45.625 44.577 1.048 18712 10271 1 17 . 1 1 62 62 GLY H H 62 9.563 9.563 8.108 1.455 18712 10272 1 17 . 1 1 63 63 LYS N N 63 127.584 127.584 126.885 0.699 18712 10273 1 17 . 1 1 63 63 LYS HA H 63 5.328 5.328 4.831 0.497 18712 10274 1 17 . 1 1 63 63 LYS CA C 63 56.172 56.172 54.893 1.279 18712 10275 1 17 . 1 1 63 63 LYS CB C 63 35.078 35.078 35.296 -0.218 18712 10276 1 17 . 1 1 63 63 LYS H H 63 8.712 8.712 7.590 1.122 18712 10277 1 17 . 1 1 64 64 VAL N N 64 114.383 114.383 121.820 -7.437 18712 10278 1 17 . 1 1 64 64 VAL HA H 64 5.523 5.523 4.835 0.688 18712 10279 1 17 . 1 1 64 64 VAL CA C 64 57.578 57.578 60.692 -3.114 18712 10280 1 17 . 1 1 64 64 VAL CB C 64 35.781 35.781 34.993 0.788 18712 10281 1 17 . 1 1 64 64 VAL H H 64 8.481 8.481 7.937 0.544 18712 10282 1 17 . 1 1 65 65 THR N N 65 118.431 118.431 115.729 2.702 18712 10283 1 17 . 1 1 65 65 THR HA H 65 4.602 4.602 4.933 -0.331 18712 10284 1 17 . 1 1 65 65 THR CA C 65 59.687 59.687 58.512 1.175 18712 10285 1 17 . 1 1 65 65 THR CB C 65 72.343 72.343 68.842 3.501 18712 10286 1 17 . 1 1 65 65 THR H H 65 8.637 8.637 8.014 0.623 18712 10287 1 17 . 1 1 66 66 PRO HA H 66 4.557 4.557 4.407 0.150 18712 10288 1 17 . 1 1 66 66 PRO CA C 66 63.906 63.906 62.931 0.975 18712 10289 1 17 . 1 1 66 66 PRO CB C 66 32.969 32.969 32.600 0.369 18712 10290 1 17 . 1 1 67 67 LYS N N 67 122.359 122.359 119.509 2.850 18712 10291 1 17 . 1 1 67 67 LYS HA H 67 4.391 4.391 4.564 -0.173 18712 10292 1 17 . 1 1 67 67 LYS CA C 67 56.172 56.172 55.029 1.143 18712 10293 1 17 . 1 1 67 67 LYS CB C 67 35.078 35.078 36.162 -1.084 18712 10294 1 17 . 1 1 67 67 LYS H H 67 8.371 8.371 7.873 0.498 18712 10295 1 17 . 1 1 68 68 GLY N N 68 109.563 109.563 107.489 2.074 18712 10296 1 17 . 1 1 68 68 GLY CA C 68 44.922 44.922 43.993 0.929 18712 10297 1 17 . 1 1 68 68 GLY H H 68 8.583 8.583 8.131 0.452 18712 10298 1 17 . 1 1 69 69 VAL N N 69 118.378 118.378 119.335 -0.957 18712 10299 1 17 . 1 1 69 69 VAL HA H 69 4.032 4.032 4.110 -0.078 18712 10300 1 17 . 1 1 69 69 VAL CA C 69 63.203 63.203 64.460 -1.257 18712 10301 1 17 . 1 1 69 69 VAL CB C 69 32.266 32.266 32.127 0.139 18712 10302 1 17 . 1 1 69 69 VAL H H 69 8.235 8.235 8.513 -0.278 18712 10303 1 17 . 1 1 70 70 THR N N 70 114.484 114.484 116.963 -2.479 18712 10304 1 17 . 1 1 70 70 THR HA H 70 4.281 4.281 4.437 -0.156 18712 10305 1 17 . 1 1 70 70 THR CA C 70 62.500 62.500 63.607 -1.107 18712 10306 1 17 . 1 1 70 70 THR CB C 70 69.531 69.531 68.197 1.334 18712 10307 1 17 . 1 1 70 70 THR H H 70 8.085 8.085 8.177 -0.092 18712 10308 1 17 . 1 1 71 71 GLU N N 71 121.656 121.656 120.816 0.840 18712 10309 1 17 . 1 1 71 71 GLU HA H 71 4.325 4.325 4.552 -0.227 18712 10310 1 17 . 1 1 71 71 GLU CA C 71 56.172 56.172 55.806 0.366 18712 10311 1 17 . 1 1 71 71 GLU CB C 71 30.859 30.859 30.439 0.420 18712 10312 1 17 . 1 1 71 71 GLU H H 71 8.175 8.175 8.155 0.020 18712 10313 1 17 . 1 1 72 72 LEU N N 72 122.219 122.219 120.351 1.868 18712 10314 1 17 . 1 1 72 72 LEU HA H 72 4.534 4.534 4.385 0.149 18712 10315 1 17 . 1 1 72 72 LEU CA C 72 54.765 54.765 54.641 0.124 18712 10316 1 17 . 1 1 72 72 LEU CB C 72 42.812 42.812 42.331 0.481 18712 10317 1 17 . 1 1 72 72 LEU H H 72 7.770 7.770 7.615 0.155 18712 10318 1 17 . 1 1 73 73 THR N N 73 114.407 114.407 112.759 1.648 18712 10319 1 17 . 1 1 73 73 THR HA H 73 4.405 4.405 4.566 -0.161 18712 10320 1 17 . 1 1 73 73 THR CA C 73 61.093 61.093 60.496 0.597 18712 10321 1 17 . 1 1 73 73 THR CB C 73 70.937 70.937 71.679 -0.742 18712 10322 1 17 . 1 1 73 73 THR H H 73 8.869 8.869 8.384 0.485 18712 10323 1 17 . 1 1 74 74 ALA N N 74 123.782 123.782 123.933 -0.151 18712 10324 1 17 . 1 1 74 74 ALA HA H 74 4.026 4.026 4.134 -0.108 18712 10325 1 17 . 1 1 74 74 ALA CA C 74 55.468 55.468 54.869 0.599 18712 10326 1 17 . 1 1 74 74 ALA CB C 74 18.203 18.203 18.614 -0.411 18712 10327 1 17 . 1 1 74 74 ALA H H 74 8.831 8.831 8.726 0.105 18712 10328 1 17 . 1 1 75 75 GLU N N 75 117.578 117.578 117.827 -0.249 18712 10329 1 17 . 1 1 75 75 GLU HA H 75 4.043 4.043 3.967 0.076 18712 10330 1 17 . 1 1 75 75 GLU CA C 75 59.687 59.687 59.189 0.498 18712 10331 1 17 . 1 1 75 75 GLU CB C 75 29.453 29.453 29.331 0.122 18712 10332 1 17 . 1 1 75 75 GLU H H 75 8.637 8.637 8.283 0.354 18712 10333 1 17 . 1 1 76 76 GLU N N 76 120.042 120.042 118.210 1.832 18712 10334 1 17 . 1 1 76 76 GLU HA H 76 4.010 4.010 4.021 -0.011 18712 10335 1 17 . 1 1 76 76 GLU CA C 76 58.281 58.281 58.576 -0.295 18712 10336 1 17 . 1 1 76 76 GLU CB C 76 30.859 30.859 29.256 1.603 18712 10337 1 17 . 1 1 76 76 GLU H H 76 7.847 7.847 7.644 0.203 18712 10338 1 17 . 1 1 77 77 ARG N N 77 119.687 119.687 117.937 1.750 18712 10339 1 17 . 1 1 77 77 ARG HA H 77 3.975 3.975 4.045 -0.070 18712 10340 1 17 . 1 1 77 77 ARG CA C 77 58.984 58.984 58.961 0.024 18712 10341 1 17 . 1 1 77 77 ARG CB C 77 30.156 30.156 30.446 -0.290 18712 10342 1 17 . 1 1 77 77 ARG H H 77 8.452 8.452 7.350 1.102 18712 10343 1 17 . 1 1 78 78 LEU N N 78 120.250 120.250 118.105 2.145 18712 10344 1 17 . 1 1 78 78 LEU HA H 78 4.210 4.210 4.774 -0.564 18712 10345 1 17 . 1 1 78 78 LEU CA C 78 56.875 56.875 56.883 -0.008 18712 10346 1 17 . 1 1 78 78 LEU CB C 78 42.109 42.109 42.038 0.071 18712 10347 1 17 . 1 1 78 78 LEU H H 78 7.685 7.685 7.709 -0.024 18712 10348 1 17 . 1 1 79 79 LEU N N 79 119.265 119.265 120.781 -1.516 18712 10349 1 17 . 1 1 79 79 LEU HA H 79 4.208 4.208 4.213 -0.005 18712 10350 1 17 . 1 1 79 79 LEU CA C 79 56.875 56.875 55.792 1.083 18712 10351 1 17 . 1 1 79 79 LEU CB C 79 42.109 42.109 41.333 0.776 18712 10352 1 17 . 1 1 79 79 LEU H H 79 7.679 7.679 7.766 -0.087 18712 10353 1 17 . 1 1 80 80 HIS N N 80 118.348 118.348 118.222 0.126 18712 10354 1 17 . 1 1 80 80 HIS HA H 80 4.422 4.422 4.265 0.157 18712 10355 1 17 . 1 1 80 80 HIS CA C 80 57.578 57.578 59.167 -1.589 18712 10356 1 17 . 1 1 80 80 HIS CB C 80 30.156 30.156 28.916 1.240 18712 10357 1 17 . 1 1 80 80 HIS H H 80 8.127 8.127 7.997 0.130 18712 10358 1 17 . 1 1 81 81 ALA N N 81 122.359 122.359 121.139 1.220 18712 10359 1 17 . 1 1 81 81 ALA HA H 81 4.204 4.204 3.924 0.280 18712 10360 1 17 . 1 1 81 81 ALA CA C 81 54.062 54.062 53.787 0.275 18712 10361 1 17 . 1 1 81 81 ALA CB C 81 18.906 18.906 18.155 0.751 18712 10362 1 17 . 1 1 81 81 ALA H H 81 7.908 7.908 7.247 0.661 18712 10363 1 17 . 1 1 82 82 ILE N N 82 117.705 117.705 118.018 -0.313 18712 10364 1 17 . 1 1 82 82 ILE HA H 82 3.972 3.972 4.063 -0.091 18712 10365 1 17 . 1 1 82 82 ILE CA C 82 62.500 62.500 63.235 -0.735 18712 10366 1 17 . 1 1 82 82 ILE CB C 82 38.594 38.594 37.747 0.847 18712 10367 1 17 . 1 1 82 82 ILE H H 82 7.780 7.780 7.302 0.478 18712 10368 1 17 . 1 1 83 83 PHE N N 83 120.528 120.528 118.800 1.728 18712 10369 1 17 . 1 1 83 83 PHE HA H 83 4.633 4.633 4.496 0.137 18712 10370 1 17 . 1 1 83 83 PHE CA C 83 58.281 58.281 59.501 -1.220 18712 10371 1 17 . 1 1 83 83 PHE CB C 83 40.000 40.000 39.355 0.645 18712 10372 1 17 . 1 1 83 83 PHE H H 83 8.227 8.227 8.843 -0.616 18712 10373 1 17 . 1 1 84 84 GLY N N 84 110.328 110.328 106.441 3.887 18712 10374 1 17 . 1 1 84 84 GLY CA C 84 45.625 45.625 45.176 0.449 18712 10375 1 17 . 1 1 84 84 GLY H H 84 8.157 8.157 7.993 0.164 18712 10376 1 17 . 1 1 85 85 GLU N N 85 120.975 120.975 119.867 1.108 18712 10377 1 17 . 1 1 85 85 GLU HA H 85 4.234 4.234 4.518 -0.284 18712 10378 1 17 . 1 1 85 85 GLU CA C 85 57.226 57.226 55.531 1.695 18712 10379 1 17 . 1 1 85 85 GLU CB C 85 30.156 30.156 32.363 -2.207 18712 10380 1 17 . 1 1 85 85 GLU H H 85 8.374 8.374 8.220 0.154 18712 10381 1 17 . 1 1 86 86 LYS N N 86 121.202 121.202 122.258 -1.056 18712 10382 1 17 . 1 1 86 86 LYS HA H 86 4.291 4.291 4.264 0.027 18712 10383 1 17 . 1 1 86 86 LYS CA C 86 56.172 56.172 56.430 -0.258 18712 10384 1 17 . 1 1 86 86 LYS CB C 86 32.969 32.969 32.258 0.711 18712 10385 1 17 . 1 1 86 86 LYS H H 86 8.230 8.230 8.413 -0.183 18712 10386 1 17 . 1 1 87 87 ALA N N 87 124.596 124.596 125.892 -1.296 18712 10387 1 17 . 1 1 87 87 ALA HA H 87 4.236 4.236 4.545 -0.309 18712 10388 1 17 . 1 1 87 87 ALA CA C 87 52.656 52.656 51.289 1.367 18712 10389 1 17 . 1 1 87 87 ALA CB C 87 19.610 19.610 20.651 -1.041 18712 10390 1 17 . 1 1 87 87 ALA H H 87 8.179 8.179 8.187 -0.008 18712 10391 1 17 . 1 1 88 88 ARG N N 88 120.688 120.688 122.111 -1.423 18712 10392 1 17 . 1 1 88 88 ARG HA H 88 4.344 4.344 4.216 0.128 18712 10393 1 17 . 1 1 88 88 ARG CA C 88 56.172 56.172 56.621 -0.449 18712 10394 1 17 . 1 1 88 88 ARG CB C 88 30.859 30.859 30.571 0.288 18712 10395 1 17 . 1 1 88 88 ARG H H 88 8.274 8.274 8.398 -0.124 18712 10396 1 17 . 1 1 89 89 GLU N N 89 124.469 124.469 123.070 1.399 18712 10397 1 17 . 1 1 89 89 GLU HA H 89 4.575 4.575 4.608 -0.033 18712 10398 1 17 . 1 1 89 89 GLU CA C 89 55.468 55.468 55.421 0.047 18712 10399 1 17 . 1 1 89 89 GLU CB C 89 30.156 30.156 32.347 -2.191 18712 10400 1 17 . 1 1 89 89 GLU H H 89 8.632 8.632 8.537 0.095 18712 10401 1 17 . 1 1 90 90 VAL N N 90 114.440 114.440 116.622 -2.182 18712 10402 1 17 . 1 1 90 90 VAL HA H 90 5.047 5.047 4.374 0.673 18712 10403 1 17 . 1 1 90 90 VAL CA C 90 58.984 58.984 59.578 -0.594 18712 10404 1 17 . 1 1 90 90 VAL CB C 90 36.484 36.484 34.611 1.873 18712 10405 1 17 . 1 1 90 90 VAL H H 90 8.246 8.246 8.213 0.033 18712 10406 1 17 . 1 1 91 91 ARG N N 91 118.602 118.602 121.869 -3.267 18712 10407 1 17 . 1 1 91 91 ARG HA H 91 4.771 4.771 4.594 0.177 18712 10408 1 17 . 1 1 91 91 ARG CB C 91 33.672 33.672 32.349 1.323 18712 10409 1 17 . 1 1 91 91 ARG H H 91 9.062 9.062 8.494 0.568 18712 10410 1 17 . 1 1 92 92 ASP N N 92 121.656 121.656 125.785 -4.129 18712 10411 1 17 . 1 1 92 92 ASP HA H 92 4.754 4.754 4.629 0.125 18712 10412 1 17 . 1 1 92 92 ASP CB C 92 41.406 41.406 39.746 1.659 18712 10413 1 17 . 1 1 92 92 ASP H H 92 8.770 8.770 8.709 0.061 18712 10414 1 17 . 1 1 93 93 THR N N 93 124.654 124.654 111.414 13.240 18712 10415 1 17 . 1 1 93 93 THR HA H 93 4.586 4.586 4.435 0.151 18712 10416 1 17 . 1 1 93 93 THR CA C 93 60.390 60.390 60.722 -0.332 18712 10417 1 17 . 1 1 93 93 THR CB C 93 66.718 66.718 69.857 -3.139 18712 10418 1 17 . 1 1 93 93 THR H H 93 9.253 9.253 7.782 1.471 18712 10419 1 17 . 1 1 94 94 SER N N 94 117.437 117.437 116.387 1.050 18712 10420 1 17 . 1 1 94 94 SER HA H 94 4.455 4.455 4.445 0.010 18712 10421 1 17 . 1 1 94 94 SER CA C 94 60.390 60.390 58.910 1.480 18712 10422 1 17 . 1 1 94 94 SER CB C 94 63.906 63.906 64.123 -0.217 18712 10423 1 17 . 1 1 94 94 SER H H 94 8.564 8.564 7.533 1.031 18712 10424 1 17 . 1 1 95 95 LEU N N 95 125.594 125.594 122.570 3.024 18712 10425 1 17 . 1 1 95 95 LEU HA H 95 4.684 4.684 4.458 0.226 18712 10426 1 17 . 1 1 95 95 LEU CB C 95 43.516 43.516 43.232 0.284 18712 10427 1 17 . 1 1 95 95 LEU H H 95 8.964 8.964 8.519 0.445 18712 10428 1 17 . 1 1 96 96 ARG N N 96 128.669 128.669 122.898 5.771 18712 10429 1 17 . 1 1 96 96 ARG HA H 96 5.061 5.061 4.614 0.447 18712 10430 1 17 . 1 1 96 96 ARG CA C 96 54.062 54.062 55.309 -1.247 18712 10431 1 17 . 1 1 96 96 ARG CB C 96 34.375 34.375 30.968 3.408 18712 10432 1 17 . 1 1 96 96 ARG H H 96 8.709 8.709 8.437 0.272 18712 10433 1 17 . 1 1 97 97 VAL N N 97 121.375 121.375 124.364 -2.989 18712 10434 1 17 . 1 1 97 97 VAL HA H 97 3.386 3.386 4.370 -0.984 18712 10435 1 17 . 1 1 97 97 VAL CA C 97 61.093 61.093 59.159 1.934 18712 10436 1 17 . 1 1 97 97 VAL CB C 97 32.266 32.266 34.722 -2.456 18712 10437 1 17 . 1 1 97 97 VAL H H 97 8.745 8.745 8.488 0.257 18712 10438 1 17 . 1 1 98 98 PRO HA H 98 4.543 4.543 4.537 0.006 18712 10439 1 17 . 1 1 98 98 PRO CA C 98 62.500 62.500 62.239 0.261 18712 10440 1 17 . 1 1 98 98 PRO CB C 98 32.969 32.969 32.296 0.673 18712 10441 1 17 . 1 1 99 99 HIS N N 99 118.140 118.140 115.467 2.673 18712 10442 1 17 . 1 1 99 99 HIS HA H 99 4.272 4.272 4.478 -0.206 18712 10443 1 17 . 1 1 99 99 HIS CA C 99 58.281 58.281 56.654 1.627 18712 10444 1 17 . 1 1 99 99 HIS CB C 99 30.156 30.156 29.239 0.917 18712 10445 1 17 . 1 1 99 99 HIS H H 99 8.368 8.368 8.310 0.058 18712 10446 1 17 . 1 1 100 100 GLY N N 100 116.101 116.101 115.298 0.803 18712 10447 1 17 . 1 1 100 100 GLY CA C 100 45.625 45.625 45.362 0.263 18712 10448 1 17 . 1 1 100 100 GLY H H 100 9.411 9.411 8.895 0.516 18712 10449 1 17 . 1 1 101 101 GLY N N 101 108.798 108.798 109.523 -0.725 18712 10450 1 17 . 1 1 101 101 GLY CA C 101 45.625 45.625 45.645 -0.020 18712 10451 1 17 . 1 1 101 101 GLY H H 101 8.399 8.399 7.896 0.503 18712 10452 1 17 . 1 1 102 102 GLY N N 102 105.967 105.967 108.759 -2.792 18712 10453 1 17 . 1 1 102 102 GLY CA C 102 45.625 45.625 45.410 0.215 18712 10454 1 17 . 1 1 102 102 GLY H H 102 8.310 8.310 8.369 -0.059 18712 10455 1 17 . 1 1 103 103 GLY N N 103 107.574 107.574 107.588 -0.014 18712 10456 1 17 . 1 1 103 103 GLY CA C 103 46.328 46.328 43.781 2.547 18712 10457 1 17 . 1 1 103 103 GLY H H 103 8.075 8.075 7.550 0.525 18712 10458 1 17 . 1 1 104 104 ILE N N 104 122.219 122.219 118.710 3.509 18712 10459 1 17 . 1 1 104 104 ILE HA H 104 5.075 5.075 4.425 0.650 18712 10460 1 17 . 1 1 104 104 ILE CA C 104 58.281 58.281 60.461 -2.180 18712 10461 1 17 . 1 1 104 104 ILE CB C 104 40.703 40.703 42.736 -2.033 18712 10462 1 17 . 1 1 104 104 ILE H H 104 8.269 8.269 7.793 0.476 18712 10463 1 17 . 1 1 105 105 ILE N N 105 124.237 124.237 125.651 -1.414 18712 10464 1 17 . 1 1 105 105 ILE HA H 105 4.312 4.312 4.365 -0.053 18712 10465 1 17 . 1 1 105 105 ILE CA C 105 60.390 60.390 61.301 -0.911 18712 10466 1 17 . 1 1 105 105 ILE CB C 105 34.375 34.375 35.101 -0.726 18712 10467 1 17 . 1 1 105 105 ILE H H 105 8.965 8.965 8.368 0.597 18712 10468 1 17 . 1 1 106 106 HIS N N 106 135.053 135.053 128.829 6.224 18712 10469 1 17 . 1 1 106 106 HIS HA H 106 4.506 4.506 4.717 -0.211 18712 10470 1 17 . 1 1 106 106 HIS CA C 106 57.578 57.578 56.989 0.589 18712 10471 1 17 . 1 1 106 106 HIS CB C 106 33.672 33.672 31.848 1.824 18712 10472 1 17 . 1 1 106 106 HIS H H 106 9.604 9.604 8.426 1.178 18712 10473 1 17 . 1 1 107 107 ASP N N 107 112.528 112.528 119.003 -6.475 18712 10474 1 17 . 1 1 107 107 ASP HA H 107 4.707 4.707 4.797 -0.090 18712 10475 1 17 . 1 1 107 107 ASP CB C 107 42.812 42.812 44.708 -1.896 18712 10476 1 17 . 1 1 107 107 ASP H H 107 7.930 7.930 7.777 0.153 18712 10477 1 17 . 1 1 108 108 VAL N N 108 121.656 121.656 121.801 -0.145 18712 10478 1 17 . 1 1 108 108 VAL HA H 108 5.028 5.028 4.650 0.378 18712 10479 1 17 . 1 1 108 108 VAL CA C 108 61.796 61.796 61.076 0.720 18712 10480 1 17 . 1 1 108 108 VAL CB C 108 36.484 36.484 34.940 1.544 18712 10481 1 17 . 1 1 108 108 VAL H H 108 8.325 8.325 8.361 -0.036 18712 10482 1 17 . 1 1 109 109 LYS N N 109 126.798 126.798 128.059 -1.261 18712 10483 1 17 . 1 1 109 109 LYS HA H 109 4.676 4.676 4.642 0.034 18712 10484 1 17 . 1 1 109 109 LYS CB C 109 37.187 37.187 34.612 2.575 18712 10485 1 17 . 1 1 109 109 LYS H H 109 9.417 9.417 8.884 0.533 18712 10486 1 17 . 1 1 110 110 VAL N N 110 121.892 121.892 123.140 -1.248 18712 10487 1 17 . 1 1 110 110 VAL HA H 110 4.676 4.676 4.327 0.349 18712 10488 1 17 . 1 1 110 110 VAL CB C 110 33.672 33.672 33.574 0.098 18712 10489 1 17 . 1 1 110 110 VAL H H 110 8.206 8.206 8.145 0.061 18712 10490 1 17 . 1 1 111 111 PHE N N 111 126.578 126.578 126.891 -0.313 18712 10491 1 17 . 1 1 111 111 PHE HA H 111 4.995 4.995 4.801 0.194 18712 10492 1 17 . 1 1 111 111 PHE CA C 111 56.172 56.172 55.845 0.327 18712 10493 1 17 . 1 1 111 111 PHE CB C 111 42.109 42.109 41.595 0.514 18712 10494 1 17 . 1 1 111 111 PHE H H 111 9.459 9.459 8.927 0.532 18712 10495 1 17 . 1 1 112 112 ASN N N 112 121.797 121.797 119.548 2.249 18712 10496 1 17 . 1 1 112 112 ASN HA H 112 5.425 5.425 5.094 0.331 18712 10497 1 17 . 1 1 112 112 ASN CA C 112 52.656 52.656 51.660 0.996 18712 10498 1 17 . 1 1 112 112 ASN CB C 112 42.109 42.109 41.717 0.393 18712 10499 1 17 . 1 1 112 112 ASN H H 112 10.663 10.663 8.766 1.897 18712 10500 1 17 . 1 1 113 113 ARG N N 113 130.516 130.516 125.794 4.722 18712 10501 1 17 . 1 1 113 113 ARG HA H 113 4.435 4.435 4.412 0.023 18712 10502 1 17 . 1 1 113 113 ARG CA C 113 59.687 59.687 58.908 0.779 18712 10503 1 17 . 1 1 113 113 ARG CB C 113 30.859 30.859 30.101 0.758 18712 10504 1 17 . 1 1 113 113 ARG H H 113 9.138 9.138 8.900 0.238 18712 10505 1 17 . 1 1 114 114 GLU N N 114 119.008 119.008 119.035 -0.027 18712 10506 1 17 . 1 1 114 114 GLU HA H 114 4.142 4.142 4.096 0.046 18712 10507 1 17 . 1 1 114 114 GLU CA C 114 58.281 58.281 58.330 -0.049 18712 10508 1 17 . 1 1 114 114 GLU CB C 114 29.453 29.453 29.168 0.285 18712 10509 1 17 . 1 1 114 114 GLU H H 114 8.924 8.924 8.318 0.606 18712 10510 1 17 . 1 1 115 115 ASP N N 115 116.593 116.593 117.189 -0.596 18712 10511 1 17 . 1 1 115 115 ASP HA H 115 4.869 4.869 4.574 0.295 18712 10512 1 17 . 1 1 115 115 ASP CA C 115 54.062 54.062 54.253 -0.191 18712 10513 1 17 . 1 1 115 115 ASP CB C 115 42.109 42.109 41.736 0.373 18712 10514 1 17 . 1 1 115 115 ASP H H 115 7.356 7.356 7.631 -0.275 18712 10515 1 17 . 1 1 116 116 GLY N N 116 106.689 106.689 107.449 -0.760 18712 10516 1 17 . 1 1 116 116 GLY CA C 116 44.922 44.922 44.620 0.302 18712 10517 1 17 . 1 1 116 116 GLY H H 116 7.918 7.918 7.670 0.248 18712 10518 1 17 . 1 1 117 117 ASP N N 117 119.329 119.329 120.952 -1.623 18712 10519 1 17 . 1 1 117 117 ASP HA H 117 4.632 4.632 4.638 -0.006 18712 10520 1 17 . 1 1 117 117 ASP CA C 117 55.468 55.468 53.147 2.321 18712 10521 1 17 . 1 1 117 117 ASP CB C 117 41.406 41.406 42.029 -0.623 18712 10522 1 17 . 1 1 117 117 ASP H H 117 7.220 7.220 7.784 -0.564 18712 10523 1 17 . 1 1 118 118 GLU N N 118 123.484 123.484 124.563 -1.079 18712 10524 1 17 . 1 1 118 118 GLU HA H 118 4.240 4.240 4.408 -0.168 18712 10525 1 17 . 1 1 118 118 GLU CA C 118 56.875 56.875 56.798 0.076 18712 10526 1 17 . 1 1 118 118 GLU CB C 118 29.453 29.453 30.646 -1.193 18712 10527 1 17 . 1 1 118 118 GLU H H 118 8.626 8.626 8.567 0.059 18712 10528 1 17 . 1 1 119 119 LEU N N 119 129.139 129.139 126.897 2.242 18712 10529 1 17 . 1 1 119 119 LEU HA H 119 4.759 4.759 4.700 0.059 18712 10530 1 17 . 1 1 119 119 LEU CB C 119 44.219 44.219 44.121 0.098 18712 10531 1 17 . 1 1 119 119 LEU H H 119 8.106 8.106 8.271 -0.165 18712 10532 1 17 . 1 1 120 120 PRO CB C 120 31.914 31.914 31.017 0.897 18712 10533 1 17 . 1 1 121 121 PRO HA H 121 4.269 4.269 4.337 -0.068 18712 10534 1 17 . 1 1 121 121 PRO CA C 121 63.906 63.906 63.767 0.139 18712 10535 1 17 . 1 1 121 121 PRO CB C 121 31.563 31.563 31.164 0.399 18712 10536 1 17 . 1 1 122 122 GLY N N 122 112.656 112.656 111.375 1.281 18712 10537 1 17 . 1 1 122 122 GLY CA C 122 45.625 45.625 44.889 0.736 18712 10538 1 17 . 1 1 122 122 GLY H H 122 8.827 8.827 8.631 0.196 18712 10539 1 17 . 1 1 123 123 VAL N N 123 119.406 119.406 119.693 -0.287 18712 10540 1 17 . 1 1 123 123 VAL HA H 123 4.017 4.017 4.580 -0.563 18712 10541 1 17 . 1 1 123 123 VAL CA C 123 62.851 62.851 62.063 0.788 18712 10542 1 17 . 1 1 123 123 VAL CB C 123 32.266 32.266 32.932 -0.666 18712 10543 1 17 . 1 1 123 123 VAL H H 123 7.845 7.845 7.458 0.387 18712 10544 1 17 . 1 1 124 124 ASN N N 124 124.609 124.609 121.539 3.070 18712 10545 1 17 . 1 1 124 124 ASN HA H 124 4.877 4.877 4.843 0.034 18712 10546 1 17 . 1 1 124 124 ASN CA C 124 54.765 54.765 53.665 1.100 18712 10547 1 17 . 1 1 124 124 ASN CB C 124 40.000 40.000 41.101 -1.101 18712 10548 1 17 . 1 1 124 124 ASN H H 124 9.206 9.206 8.908 0.298 18712 10549 1 17 . 1 1 125 125 GLN N N 125 117.959 117.959 114.962 2.997 18712 10550 1 17 . 1 1 125 125 GLN HA H 125 5.234 5.234 4.637 0.597 18712 10551 1 17 . 1 1 125 125 GLN CA C 125 56.172 56.172 55.206 0.966 18712 10552 1 17 . 1 1 125 125 GLN CB C 125 33.672 33.672 33.224 0.448 18712 10553 1 17 . 1 1 125 125 GLN H H 125 7.756 7.756 7.528 0.228 18712 10554 1 17 . 1 1 126 126 LEU N N 126 125.559 125.559 122.205 3.354 18712 10555 1 17 . 1 1 126 126 LEU HA H 126 5.261 5.261 4.802 0.459 18712 10556 1 17 . 1 1 126 126 LEU CA C 126 54.765 54.765 54.485 0.280 18712 10557 1 17 . 1 1 126 126 LEU CB C 126 47.734 47.734 46.213 1.521 18712 10558 1 17 . 1 1 126 126 LEU H H 126 8.866 8.866 8.196 0.670 18712 10559 1 17 . 1 1 127 127 VAL N N 127 126.578 126.578 125.384 1.194 18712 10560 1 17 . 1 1 127 127 VAL HA H 127 5.127 5.127 4.564 0.563 18712 10561 1 17 . 1 1 127 127 VAL CA C 127 60.390 60.390 60.614 -0.224 18712 10562 1 17 . 1 1 127 127 VAL CB C 127 35.078 35.078 35.606 -0.528 18712 10563 1 17 . 1 1 127 127 VAL H H 127 9.367 9.367 8.669 0.698 18712 10564 1 17 . 1 1 128 128 ARG N N 128 126.578 126.578 125.242 1.336 18712 10565 1 17 . 1 1 128 128 ARG HA H 128 5.259 5.259 5.108 0.151 18712 10566 1 17 . 1 1 128 128 ARG CA C 128 54.765 54.765 54.477 0.288 18712 10567 1 17 . 1 1 128 128 ARG CB C 128 33.672 33.672 33.551 0.121 18712 10568 1 17 . 1 1 128 128 ARG H H 128 9.502 9.502 8.775 0.727 18712 10569 1 17 . 1 1 129 129 VAL N N 129 123.977 123.977 123.127 0.850 18712 10570 1 17 . 1 1 129 129 VAL HA H 129 4.489 4.489 4.327 0.162 18712 10571 1 17 . 1 1 129 129 VAL CA C 129 61.093 61.093 61.992 -0.899 18712 10572 1 17 . 1 1 129 129 VAL CB C 129 35.078 35.078 33.665 1.413 18712 10573 1 17 . 1 1 129 129 VAL H H 129 9.051 9.051 8.214 0.837 18712 10574 1 17 . 1 1 130 130 TYR N N 130 124.673 124.673 124.799 -0.126 18712 10575 1 17 . 1 1 130 130 TYR HA H 130 5.419 5.419 5.062 0.357 18712 10576 1 17 . 1 1 130 130 TYR CA C 130 56.172 56.172 56.555 -0.383 18712 10577 1 17 . 1 1 130 130 TYR CB C 130 39.297 39.297 41.449 -2.152 18712 10578 1 17 . 1 1 130 130 TYR H H 130 8.650 8.650 8.768 -0.118 18712 10579 1 17 . 1 1 131 131 ILE N N 131 125.227 125.227 122.132 3.095 18712 10580 1 17 . 1 1 131 131 ILE HA H 131 4.869 4.869 4.757 0.112 18712 10581 1 17 . 1 1 131 131 ILE CB C 131 40.000 40.000 42.612 -2.612 18712 10582 1 17 . 1 1 131 131 ILE H H 131 9.509 9.509 8.287 1.222 18712 10583 1 17 . 1 1 132 132 VAL N N 132 126.859 126.859 122.747 4.112 18712 10584 1 17 . 1 1 132 132 VAL HA H 132 4.729 4.729 5.300 -0.571 18712 10585 1 17 . 1 1 132 132 VAL CA C 132 61.093 61.093 59.417 1.676 18712 10586 1 17 . 1 1 132 132 VAL CB C 132 33.672 33.672 34.642 -0.970 18712 10587 1 17 . 1 1 132 132 VAL H H 132 9.606 9.606 8.161 1.445 18712 10588 1 17 . 1 1 133 133 GLN N N 133 128.406 128.406 126.504 1.902 18712 10589 1 17 . 1 1 133 133 GLN HA H 133 4.751 4.751 4.605 0.146 18712 10590 1 17 . 1 1 133 133 GLN CA C 133 54.765 54.765 55.500 -0.735 18712 10591 1 17 . 1 1 133 133 GLN CB C 133 31.563 31.563 29.502 2.061 18712 10592 1 17 . 1 1 133 133 GLN H H 133 9.153 9.153 8.344 0.809 18712 10593 1 17 . 1 1 134 134 LYS N N 134 122.929 122.929 123.047 -0.118 18712 10594 1 17 . 1 1 134 134 LYS HA H 134 4.725 4.725 4.684 0.041 18712 10595 1 17 . 1 1 134 134 LYS CA C 134 56.172 56.172 55.822 0.350 18712 10596 1 17 . 1 1 134 134 LYS CB C 134 33.320 33.320 34.373 -1.053 18712 10597 1 17 . 1 1 134 134 LYS H H 134 8.561 8.561 8.400 0.161 18712 10598 1 17 . 1 1 135 135 ARG N N 135 123.484 123.484 121.802 1.682 18712 10599 1 17 . 1 1 135 135 ARG HA H 135 4.503 4.503 4.551 -0.048 18712 10600 1 17 . 1 1 135 135 ARG CA C 135 55.468 55.468 54.834 0.634 18712 10601 1 17 . 1 1 135 135 ARG CB C 135 32.266 32.266 32.461 -0.195 18712 10602 1 17 . 1 1 135 135 ARG H H 135 8.596 8.596 8.640 -0.044 18712 10603 1 17 . 1 1 136 136 LYS N N 136 123.906 123.906 120.795 3.111 18712 10604 1 17 . 1 1 136 136 LYS HA H 136 4.467 4.467 4.188 0.279 18712 10605 1 17 . 1 1 136 136 LYS CA C 136 56.172 56.172 56.374 -0.202 18712 10606 1 17 . 1 1 136 136 LYS CB C 136 32.969 32.969 32.490 0.479 18712 10607 1 17 . 1 1 136 136 LYS H H 136 8.608 8.608 8.182 0.426 18712 10608 1 17 . 1 1 137 137 ILE N N 137 123.571 123.571 118.630 4.941 18712 10609 1 17 . 1 1 137 137 ILE HA H 137 4.184 4.184 4.054 0.130 18712 10610 1 17 . 1 1 137 137 ILE CA C 137 61.093 61.093 61.624 -0.531 18712 10611 1 17 . 1 1 137 137 ILE CB C 137 38.594 38.594 38.347 0.247 18712 10612 1 17 . 1 1 137 137 ILE H H 137 8.353 8.353 8.012 0.341 18712 10613 1 17 . 1 1 138 138 SER N N 138 119.547 119.547 118.889 0.658 18712 10614 1 17 . 1 1 138 138 SER HA H 138 4.503 4.503 4.318 0.185 18712 10615 1 17 . 1 1 138 138 SER CA C 138 58.281 58.281 58.578 -0.297 18712 10616 1 17 . 1 1 138 138 SER CB C 138 63.906 63.906 63.509 0.397 18712 10617 1 17 . 1 1 138 138 SER H H 138 8.410 8.410 8.226 0.184 18712 10618 1 17 . 1 1 139 139 GLU N N 139 123.281 123.281 126.864 -3.583 18712 10619 1 17 . 1 1 139 139 GLU HA H 139 4.307 4.307 4.132 0.175 18712 10620 1 17 . 1 1 139 139 GLU CA C 139 56.875 56.875 57.899 -1.024 18712 10621 1 17 . 1 1 139 139 GLU CB C 139 30.156 30.156 29.796 0.360 18712 10622 1 17 . 1 1 139 139 GLU H H 139 8.489 8.489 8.790 -0.301 18712 10623 1 17 . 1 1 140 140 GLY N N 140 109.792 109.792 106.843 2.949 18712 10624 1 17 . 1 1 140 140 GLY CA C 140 45.625 45.625 44.915 0.710 18712 10625 1 17 . 1 1 140 140 GLY H H 140 8.418 8.418 8.368 0.050 18712 10626 1 18 . 1 1 4 4 VAL N N 4 119.125 119.125 123.471 -4.346 18712 10627 1 18 . 1 1 4 4 VAL HA H 4 4.070 4.070 4.035 0.035 18712 10628 1 18 . 1 1 4 4 VAL CA C 4 62.500 62.500 61.258 1.242 18712 10629 1 18 . 1 1 4 4 VAL CB C 4 32.969 32.969 33.446 -0.477 18712 10630 1 18 . 1 1 4 4 VAL H H 4 7.998 7.998 8.139 -0.141 18712 10631 1 18 . 1 1 5 5 TYR N N 5 122.640 122.640 122.646 -0.006 18712 10632 1 18 . 1 1 5 5 TYR HA H 5 4.674 4.674 4.775 -0.101 18712 10633 1 18 . 1 1 5 5 TYR CA C 5 58.281 58.281 57.200 1.081 18712 10634 1 18 . 1 1 5 5 TYR CB C 5 38.594 38.594 39.166 -0.572 18712 10635 1 18 . 1 1 5 5 TYR H H 5 8.305 8.305 8.142 0.163 18712 10636 1 18 . 1 1 6 6 THR N N 6 114.861 114.861 113.593 1.268 18712 10637 1 18 . 1 1 6 6 THR HA H 6 4.548 4.548 4.586 -0.038 18712 10638 1 18 . 1 1 6 6 THR CA C 6 61.796 61.796 60.916 0.880 18712 10639 1 18 . 1 1 6 6 THR CB C 6 70.234 70.234 70.645 -0.411 18712 10640 1 18 . 1 1 6 6 THR H H 6 8.003 8.003 8.189 -0.186 18712 10641 1 18 . 1 1 7 7 SER N N 7 118.140 118.140 115.139 3.001 18712 10642 1 18 . 1 1 7 7 SER HA H 7 4.600 4.600 4.726 -0.126 18712 10643 1 18 . 1 1 7 7 SER CA C 7 57.578 57.578 57.403 0.175 18712 10644 1 18 . 1 1 7 7 SER CB C 7 64.609 64.609 64.096 0.513 18712 10645 1 18 . 1 1 7 7 SER H H 7 8.487 8.487 8.088 0.399 18712 10646 1 18 . 1 1 8 8 ILE N N 8 121.375 121.375 121.184 0.191 18712 10647 1 18 . 1 1 8 8 ILE HA H 8 4.627 4.627 4.091 0.536 18712 10648 1 18 . 1 1 8 8 ILE CA C 8 60.390 60.390 60.670 -0.280 18712 10649 1 18 . 1 1 8 8 ILE CB C 8 40.000 40.000 37.708 2.292 18712 10650 1 18 . 1 1 8 8 ILE H H 8 8.139 8.139 8.226 -0.087 18712 10651 1 18 . 1 1 9 9 HIS N N 9 125.734 125.734 122.722 3.012 18712 10652 1 18 . 1 1 9 9 HIS HA H 9 4.768 4.768 4.852 -0.084 18712 10653 1 18 . 1 1 9 9 HIS CB C 9 32.617 32.617 33.569 -0.952 18712 10654 1 18 . 1 1 9 9 HIS H H 9 8.743 8.743 8.695 0.048 18712 10655 1 18 . 1 1 10 10 ILE N N 10 125.875 125.875 121.758 4.117 18712 10656 1 18 . 1 1 10 10 ILE HA H 10 4.806 4.806 4.617 0.189 18712 10657 1 18 . 1 1 10 10 ILE CB C 10 39.297 39.297 39.020 0.277 18712 10658 1 18 . 1 1 10 10 ILE H H 10 8.035 8.035 8.575 -0.540 18712 10659 1 18 . 1 1 11 11 GLU N N 11 129.438 129.438 127.543 1.895 18712 10660 1 18 . 1 1 11 11 GLU HA H 11 4.472 4.472 4.462 0.010 18712 10661 1 18 . 1 1 11 11 GLU CA C 11 54.062 54.062 54.855 -0.793 18712 10662 1 18 . 1 1 11 11 GLU CB C 11 32.617 32.617 31.888 0.729 18712 10663 1 18 . 1 1 11 11 GLU H H 11 8.934 8.934 8.936 -0.002 18712 10664 1 18 . 1 1 12 12 GLU N N 12 123.983 123.983 120.258 3.725 18712 10665 1 18 . 1 1 12 12 GLU HA H 12 4.752 4.752 4.813 -0.061 18712 10666 1 18 . 1 1 12 12 GLU CA C 12 54.062 54.062 55.291 -1.229 18712 10667 1 18 . 1 1 12 12 GLU CB C 12 32.617 32.617 31.896 0.721 18712 10668 1 18 . 1 1 12 12 GLU H H 12 8.192 8.192 8.432 -0.240 18712 10669 1 18 . 1 1 13 13 TYR N N 13 122.826 122.826 123.279 -0.453 18712 10670 1 18 . 1 1 13 13 TYR HA H 13 4.741 4.741 4.724 0.017 18712 10671 1 18 . 1 1 13 13 TYR CB C 13 42.812 42.812 41.288 1.524 18712 10672 1 18 . 1 1 13 13 TYR H H 13 8.926 8.926 8.208 0.718 18712 10673 1 18 . 1 1 14 14 GLU N N 14 119.329 119.329 121.936 -2.607 18712 10674 1 18 . 1 1 14 14 GLU HA H 14 5.647 5.647 4.628 1.019 18712 10675 1 18 . 1 1 14 14 GLU CA C 14 54.765 54.765 55.372 -0.607 18712 10676 1 18 . 1 1 14 14 GLU CB C 14 34.375 34.375 32.583 1.792 18712 10677 1 18 . 1 1 14 14 GLU H H 14 8.716 8.716 8.496 0.220 18712 10678 1 18 . 1 1 15 15 SER N N 15 116.172 116.172 116.632 -0.460 18712 10679 1 18 . 1 1 15 15 SER HA H 15 4.616 4.616 4.782 -0.166 18712 10680 1 18 . 1 1 15 15 SER CA C 15 57.578 57.578 58.152 -0.574 18712 10681 1 18 . 1 1 15 15 SER CB C 15 66.015 66.015 65.179 0.836 18712 10682 1 18 . 1 1 15 15 SER H H 15 8.922 8.922 8.205 0.717 18712 10683 1 18 . 1 1 16 16 GLU N N 16 125.172 125.172 124.996 0.176 18712 10684 1 18 . 1 1 16 16 GLU HA H 16 5.082 5.082 4.964 0.118 18712 10685 1 18 . 1 1 16 16 GLU CA C 16 54.062 54.062 53.965 0.097 18712 10686 1 18 . 1 1 16 16 GLU CB C 16 32.969 32.969 33.926 -0.957 18712 10687 1 18 . 1 1 16 16 GLU H H 16 8.587 8.587 8.370 0.217 18712 10688 1 18 . 1 1 17 17 ALA N N 17 124.890 124.890 125.927 -1.037 18712 10689 1 18 . 1 1 17 17 ALA HA H 17 4.969 4.969 4.480 0.489 18712 10690 1 18 . 1 1 17 17 ALA CA C 17 50.547 50.547 51.345 -0.798 18712 10691 1 18 . 1 1 17 17 ALA CB C 17 19.610 19.610 19.324 0.286 18712 10692 1 18 . 1 1 17 17 ALA H H 17 9.000 9.000 8.221 0.779 18712 10693 1 18 . 1 1 18 18 ARG N N 18 125.376 125.376 125.253 0.123 18712 10694 1 18 . 1 1 18 18 ARG HA H 18 5.175 5.175 4.956 0.219 18712 10695 1 18 . 1 1 18 18 ARG CA C 18 54.765 54.765 55.146 -0.381 18712 10696 1 18 . 1 1 18 18 ARG CB C 18 34.375 34.375 31.264 3.111 18712 10697 1 18 . 1 1 18 18 ARG H H 18 9.624 9.624 8.080 1.544 18712 10698 1 18 . 1 1 19 19 ASP N N 19 119.828 119.828 124.749 -4.921 18712 10699 1 18 . 1 1 19 19 ASP HA H 19 4.685 4.685 4.491 0.194 18712 10700 1 18 . 1 1 19 19 ASP CA C 19 55.117 55.117 54.388 0.729 18712 10701 1 18 . 1 1 19 19 ASP CB C 19 41.406 41.406 41.215 0.191 18712 10702 1 18 . 1 1 19 19 ASP H H 19 8.420 8.420 8.179 0.241 18712 10703 1 18 . 1 1 20 20 THR N N 20 112.948 112.948 114.523 -1.575 18712 10704 1 18 . 1 1 20 20 THR HA H 20 4.979 4.979 4.287 0.692 18712 10705 1 18 . 1 1 20 20 THR CA C 20 60.390 60.390 62.127 -1.737 18712 10706 1 18 . 1 1 20 20 THR CB C 20 73.046 73.046 70.230 2.816 18712 10707 1 18 . 1 1 20 20 THR H H 20 7.602 7.602 8.245 -0.643 18712 10708 1 18 . 1 1 21 21 LYS HA H 21 4.146 4.146 4.369 -0.223 18712 10709 1 18 . 1 1 21 21 LYS CA C 21 58.984 58.984 57.957 1.027 18712 10710 1 18 . 1 1 21 21 LYS CB C 21 32.266 32.266 31.533 0.733 18712 10711 1 18 . 1 1 22 22 LEU N N 22 117.346 117.346 121.689 -4.343 18712 10712 1 18 . 1 1 22 22 LEU HA H 22 4.532 4.532 4.510 0.022 18712 10713 1 18 . 1 1 22 22 LEU CA C 22 54.062 54.062 54.387 -0.325 18712 10714 1 18 . 1 1 22 22 LEU CB C 22 42.812 42.812 42.142 0.670 18712 10715 1 18 . 1 1 22 22 LEU H H 22 7.848 7.848 7.426 0.422 18712 10716 1 18 . 1 1 23 23 GLY N N 23 108.437 108.437 109.908 -1.471 18712 10717 1 18 . 1 1 23 23 GLY CA C 23 43.516 43.516 44.540 -1.024 18712 10718 1 18 . 1 1 23 23 GLY H H 23 7.407 7.407 7.561 -0.154 18712 10719 1 18 . 1 1 24 24 PRO HA H 24 4.894 4.894 4.654 0.240 18712 10720 1 18 . 1 1 24 24 PRO CA C 24 63.906 63.906 62.530 1.376 18712 10721 1 18 . 1 1 24 24 PRO CB C 24 31.563 31.563 33.121 -1.558 18712 10722 1 18 . 1 1 25 25 GLU N N 25 118.281 118.281 118.842 -0.561 18712 10723 1 18 . 1 1 25 25 GLU HA H 25 4.621 4.621 4.447 0.174 18712 10724 1 18 . 1 1 25 25 GLU CA C 25 56.523 56.523 57.145 -0.622 18712 10725 1 18 . 1 1 25 25 GLU CB C 25 32.266 32.266 30.863 1.403 18712 10726 1 18 . 1 1 25 25 GLU H H 25 8.341 8.341 8.523 -0.182 18712 10727 1 18 . 1 1 26 26 GLU N N 26 119.406 119.406 119.260 0.146 18712 10728 1 18 . 1 1 26 26 GLU HA H 26 4.710 4.710 4.551 0.159 18712 10729 1 18 . 1 1 26 26 GLU CA C 26 54.765 54.765 55.640 -0.875 18712 10730 1 18 . 1 1 26 26 GLU CB C 26 33.672 33.672 31.201 2.471 18712 10731 1 18 . 1 1 26 26 GLU H H 26 8.336 8.336 7.820 0.516 18712 10732 1 18 . 1 1 27 27 ILE N N 27 127.472 127.472 121.783 5.689 18712 10733 1 18 . 1 1 27 27 ILE HA H 27 5.009 5.009 4.214 0.795 18712 10734 1 18 . 1 1 27 27 ILE CA C 27 60.390 60.390 62.092 -1.702 18712 10735 1 18 . 1 1 27 27 ILE CB C 27 37.187 37.187 38.838 -1.651 18712 10736 1 18 . 1 1 27 27 ILE H H 27 8.405 8.405 8.626 -0.221 18712 10737 1 18 . 1 1 28 28 THR N N 28 124.387 124.387 120.324 4.063 18712 10738 1 18 . 1 1 28 28 THR HA H 28 4.492 4.492 4.634 -0.142 18712 10739 1 18 . 1 1 28 28 THR CA C 28 59.687 59.687 60.405 -0.718 18712 10740 1 18 . 1 1 28 28 THR CB C 28 68.125 68.125 70.754 -2.630 18712 10741 1 18 . 1 1 28 28 THR H H 28 8.191 8.191 8.297 -0.106 18712 10742 1 18 . 1 1 29 29 ARG N N 29 120.568 120.568 120.639 -0.071 18712 10743 1 18 . 1 1 29 29 ARG HA H 29 4.202 4.202 4.750 -0.548 18712 10744 1 18 . 1 1 29 29 ARG CA C 29 55.468 55.468 54.954 0.514 18712 10745 1 18 . 1 1 29 29 ARG CB C 29 32.266 32.266 31.922 0.344 18712 10746 1 18 . 1 1 29 29 ARG H H 29 7.995 7.995 8.401 -0.406 18712 10747 1 18 . 1 1 30 30 ASP N N 30 123.906 123.906 123.076 0.830 18712 10748 1 18 . 1 1 30 30 ASP HA H 30 4.619 4.619 4.723 -0.104 18712 10749 1 18 . 1 1 30 30 ASP CA C 30 53.359 53.359 53.893 -0.534 18712 10750 1 18 . 1 1 30 30 ASP CB C 30 38.594 38.594 42.360 -3.766 18712 10751 1 18 . 1 1 30 30 ASP H H 30 8.784 8.784 8.696 0.088 18712 10752 1 18 . 1 1 31 31 ILE N N 31 123.422 123.422 123.559 -0.137 18712 10753 1 18 . 1 1 31 31 ILE HA H 31 4.063 4.063 4.458 -0.395 18712 10754 1 18 . 1 1 31 31 ILE CA C 31 57.578 57.578 56.702 0.876 18712 10755 1 18 . 1 1 31 31 ILE CB C 31 40.703 40.703 37.220 3.483 18712 10756 1 18 . 1 1 31 31 ILE H H 31 7.404 7.404 8.101 -0.697 18712 10757 1 18 . 1 1 32 32 PRO HA H 32 4.273 4.273 4.514 -0.241 18712 10758 1 18 . 1 1 32 32 PRO CA C 32 63.554 63.554 63.043 0.511 18712 10759 1 18 . 1 1 32 32 PRO CB C 32 32.266 32.266 32.418 -0.152 18712 10760 1 18 . 1 1 33 33 ASN N N 33 114.027 114.027 115.873 -1.846 18712 10761 1 18 . 1 1 33 33 ASN HA H 33 4.269 4.269 4.373 -0.104 18712 10762 1 18 . 1 1 33 33 ASN CA C 33 55.117 55.117 53.775 1.343 18712 10763 1 18 . 1 1 33 33 ASN CB C 33 37.891 37.891 37.141 0.750 18712 10764 1 18 . 1 1 33 33 ASN H H 33 8.880 8.880 8.624 0.256 18712 10765 1 18 . 1 1 34 34 VAL N N 34 117.111 117.111 120.482 -3.371 18712 10766 1 18 . 1 1 34 34 VAL HA H 34 4.249 4.249 4.263 -0.014 18712 10767 1 18 . 1 1 34 34 VAL CA C 34 62.148 62.148 61.370 0.778 18712 10768 1 18 . 1 1 34 34 VAL CB C 34 33.672 33.672 33.410 0.262 18712 10769 1 18 . 1 1 34 34 VAL H H 34 7.328 7.328 7.651 -0.323 18712 10770 1 18 . 1 1 35 35 GLY N N 35 113.600 113.600 111.990 1.610 18712 10771 1 18 . 1 1 35 35 GLY CA C 35 44.219 44.219 44.346 -0.126 18712 10772 1 18 . 1 1 35 35 GLY H H 35 8.653 8.653 8.371 0.282 18712 10773 1 18 . 1 1 36 36 GLU N N 36 118.562 118.562 122.506 -3.944 18712 10774 1 18 . 1 1 36 36 GLU HA H 36 3.888 3.888 3.975 -0.087 18712 10775 1 18 . 1 1 36 36 GLU CA C 36 59.687 59.687 59.432 0.255 18712 10776 1 18 . 1 1 36 36 GLU CB C 36 29.453 29.453 29.693 -0.240 18712 10777 1 18 . 1 1 36 36 GLU H H 36 8.457 8.457 8.883 -0.426 18712 10778 1 18 . 1 1 37 37 ASP N N 37 118.140 118.140 118.830 -0.690 18712 10779 1 18 . 1 1 37 37 ASP HA H 37 4.335 4.335 4.507 -0.172 18712 10780 1 18 . 1 1 37 37 ASP CA C 37 56.875 56.875 56.310 0.565 18712 10781 1 18 . 1 1 37 37 ASP CB C 37 40.000 40.000 40.026 -0.026 18712 10782 1 18 . 1 1 37 37 ASP H H 37 8.728 8.728 8.587 0.141 18712 10783 1 18 . 1 1 38 38 ALA N N 38 120.752 120.752 120.789 -0.037 18712 10784 1 18 . 1 1 38 38 ALA HA H 38 4.288 4.288 4.186 0.102 18712 10785 1 18 . 1 1 38 38 ALA CA C 38 53.359 53.359 54.223 -0.864 18712 10786 1 18 . 1 1 38 38 ALA CB C 38 18.555 18.555 18.983 -0.428 18712 10787 1 18 . 1 1 38 38 ALA H H 38 7.642 7.642 7.643 -0.001 18712 10788 1 18 . 1 1 39 39 LEU N N 39 117.015 117.015 112.141 4.874 18712 10789 1 18 . 1 1 39 39 LEU HA H 39 4.295 4.295 4.711 -0.416 18712 10790 1 18 . 1 1 39 39 LEU CA C 39 54.765 54.765 54.074 0.691 18712 10791 1 18 . 1 1 39 39 LEU CB C 39 43.164 43.164 41.494 1.670 18712 10792 1 18 . 1 1 39 39 LEU H H 39 7.446 7.446 7.128 0.318 18712 10793 1 18 . 1 1 40 40 ARG N N 40 118.017 118.017 119.110 -1.093 18712 10794 1 18 . 1 1 40 40 ARG HA H 40 4.064 4.064 4.101 -0.037 18712 10795 1 18 . 1 1 40 40 ARG CA C 40 59.687 59.687 58.313 1.374 18712 10796 1 18 . 1 1 40 40 ARG CB C 40 30.508 30.508 30.216 0.292 18712 10797 1 18 . 1 1 40 40 ARG H H 40 7.079 7.079 7.614 -0.535 18712 10798 1 18 . 1 1 41 41 ASN N N 41 115.439 115.439 115.606 -0.167 18712 10799 1 18 . 1 1 41 41 ASN HA H 41 4.996 4.996 4.757 0.239 18712 10800 1 18 . 1 1 41 41 ASN CA C 41 53.359 53.359 52.741 0.618 18712 10801 1 18 . 1 1 41 41 ASN CB C 41 39.297 39.297 39.427 -0.130 18712 10802 1 18 . 1 1 41 41 ASN H H 41 9.057 9.057 8.368 0.689 18712 10803 1 18 . 1 1 42 42 LEU N N 42 118.703 118.703 121.766 -3.063 18712 10804 1 18 . 1 1 42 42 LEU HA H 42 4.403 4.403 4.152 0.251 18712 10805 1 18 . 1 1 42 42 LEU CA C 42 54.062 54.062 56.322 -2.260 18712 10806 1 18 . 1 1 42 42 LEU CB C 42 42.812 42.812 42.494 0.318 18712 10807 1 18 . 1 1 42 42 LEU H H 42 7.719 7.719 7.881 -0.162 18712 10808 1 18 . 1 1 43 43 ASP N N 43 122.791 122.791 125.173 -2.382 18712 10809 1 18 . 1 1 43 43 ASP HA H 43 4.481 4.481 4.824 -0.343 18712 10810 1 18 . 1 1 43 43 ASP CA C 43 52.656 52.656 53.309 -0.653 18712 10811 1 18 . 1 1 43 43 ASP CB C 43 39.648 39.648 42.457 -2.809 18712 10812 1 18 . 1 1 43 43 ASP H H 43 8.933 8.933 7.898 1.035 18712 10813 1 18 . 1 1 44 44 ASP N N 44 114.917 114.917 119.732 -4.815 18712 10814 1 18 . 1 1 44 44 ASP HA H 44 4.278 4.278 4.411 -0.133 18712 10815 1 18 . 1 1 44 44 ASP CA C 44 56.875 56.875 56.946 -0.071 18712 10816 1 18 . 1 1 44 44 ASP CB C 44 40.000 40.000 40.696 -0.696 18712 10817 1 18 . 1 1 44 44 ASP H H 44 8.281 8.281 8.750 -0.469 18712 10818 1 18 . 1 1 45 45 ARG N N 45 118.140 118.140 117.027 1.113 18712 10819 1 18 . 1 1 45 45 ARG HA H 45 4.366 4.366 4.223 0.143 18712 10820 1 18 . 1 1 45 45 ARG CA C 45 55.117 55.117 56.569 -1.452 18712 10821 1 18 . 1 1 45 45 ARG CB C 45 30.859 30.859 30.016 0.843 18712 10822 1 18 . 1 1 45 45 ARG H H 45 8.500 8.500 8.385 0.115 18712 10823 1 18 . 1 1 46 46 GLY N N 46 101.828 101.828 106.845 -5.017 18712 10824 1 18 . 1 1 46 46 GLY CA C 46 45.273 45.273 45.257 0.016 18712 10825 1 18 . 1 1 46 46 GLY H H 46 7.680 7.680 7.807 -0.127 18712 10826 1 18 . 1 1 47 47 VAL N N 47 119.955 119.955 118.821 1.134 18712 10827 1 18 . 1 1 47 47 VAL HA H 47 4.406 4.406 4.188 0.218 18712 10828 1 18 . 1 1 47 47 VAL CA C 47 61.796 61.796 60.098 1.698 18712 10829 1 18 . 1 1 47 47 VAL CB C 47 33.672 33.672 33.616 0.056 18712 10830 1 18 . 1 1 47 47 VAL H H 47 8.007 8.007 7.285 0.722 18712 10831 1 18 . 1 1 48 48 ILE N N 48 128.406 128.406 124.724 3.682 18712 10832 1 18 . 1 1 48 48 ILE HA H 48 4.202 4.202 3.958 0.244 18712 10833 1 18 . 1 1 48 48 ILE CA C 48 59.687 59.687 60.852 -1.165 18712 10834 1 18 . 1 1 48 48 ILE CB C 48 38.945 38.945 36.746 2.199 18712 10835 1 18 . 1 1 48 48 ILE H H 48 8.145 8.145 8.147 -0.002 18712 10836 1 18 . 1 1 49 49 ARG N N 49 123.765 123.765 127.211 -3.446 18712 10837 1 18 . 1 1 49 49 ARG HA H 49 4.328 4.328 4.206 0.122 18712 10838 1 18 . 1 1 49 49 ARG CA C 49 56.875 56.875 56.242 0.633 18712 10839 1 18 . 1 1 49 49 ARG CB C 49 31.563 31.563 31.515 0.048 18712 10840 1 18 . 1 1 49 49 ARG H H 49 7.447 7.447 8.167 -0.720 18712 10841 1 18 . 1 1 50 50 ILE N N 50 121.094 121.094 120.894 0.200 18712 10842 1 18 . 1 1 50 50 ILE HA H 50 3.414 3.414 3.672 -0.258 18712 10843 1 18 . 1 1 50 50 ILE CA C 50 64.609 64.609 62.984 1.625 18712 10844 1 18 . 1 1 50 50 ILE H H 50 8.284 8.284 8.251 0.033 18712 10845 1 18 . 1 1 51 51 GLY N N 51 115.791 115.791 113.102 2.689 18712 10846 1 18 . 1 1 51 51 GLY CA C 51 44.922 44.922 45.039 -0.117 18712 10847 1 18 . 1 1 51 51 GLY H H 51 8.679 8.679 8.814 -0.135 18712 10848 1 18 . 1 1 52 52 ALA N N 52 122.065 122.065 123.106 -1.041 18712 10849 1 18 . 1 1 52 52 ALA HA H 52 4.246 4.246 4.603 -0.357 18712 10850 1 18 . 1 1 52 52 ALA CA C 52 52.656 52.656 50.716 1.940 18712 10851 1 18 . 1 1 52 52 ALA CB C 52 18.906 18.906 20.437 -1.531 18712 10852 1 18 . 1 1 52 52 ALA H H 52 7.496 7.496 7.460 0.036 18712 10853 1 18 . 1 1 53 53 GLU N N 53 121.468 121.468 123.010 -1.542 18712 10854 1 18 . 1 1 53 53 GLU HA H 53 4.892 4.892 4.197 0.695 18712 10855 1 18 . 1 1 53 53 GLU CB C 53 30.508 30.508 30.235 0.273 18712 10856 1 18 . 1 1 53 53 GLU H H 53 8.427 8.427 8.572 -0.145 18712 10857 1 18 . 1 1 54 54 VAL N N 54 117.437 117.437 123.705 -6.268 18712 10858 1 18 . 1 1 54 54 VAL HA H 54 4.979 4.979 4.107 0.872 18712 10859 1 18 . 1 1 54 54 VAL CA C 54 58.632 58.632 61.754 -3.122 18712 10860 1 18 . 1 1 54 54 VAL CB C 54 35.781 35.781 32.815 2.966 18712 10861 1 18 . 1 1 54 54 VAL H H 54 9.002 9.002 8.064 0.938 18712 10862 1 18 . 1 1 55 55 LYS N N 55 123.906 123.906 123.208 0.698 18712 10863 1 18 . 1 1 55 55 LYS HA H 55 4.698 4.698 4.574 0.124 18712 10864 1 18 . 1 1 55 55 LYS CA C 55 53.359 53.359 54.422 -1.063 18712 10865 1 18 . 1 1 55 55 LYS CB C 55 35.781 35.781 34.531 1.250 18712 10866 1 18 . 1 1 55 55 LYS H H 55 9.244 9.244 7.684 1.560 18712 10867 1 18 . 1 1 56 56 ASP N N 56 118.562 118.562 119.717 -1.155 18712 10868 1 18 . 1 1 56 56 ASP HA H 56 3.764 3.764 4.368 -0.604 18712 10869 1 18 . 1 1 56 56 ASP CA C 56 56.172 56.172 56.487 -0.315 18712 10870 1 18 . 1 1 56 56 ASP CB C 56 40.000 40.000 40.780 -0.780 18712 10871 1 18 . 1 1 56 56 ASP H H 56 8.176 8.176 8.501 -0.325 18712 10872 1 18 . 1 1 57 57 GLY N N 57 112.515 112.515 112.590 -0.075 18712 10873 1 18 . 1 1 57 57 GLY CA C 57 45.625 45.625 45.277 0.348 18712 10874 1 18 . 1 1 57 57 GLY H H 57 8.841 8.841 8.792 0.049 18712 10875 1 18 . 1 1 58 58 ASP N N 58 121.375 121.375 121.724 -0.349 18712 10876 1 18 . 1 1 58 58 ASP HA H 58 4.532 4.532 4.964 -0.432 18712 10877 1 18 . 1 1 58 58 ASP CA C 58 54.765 54.765 52.267 2.498 18712 10878 1 18 . 1 1 58 58 ASP CB C 58 41.055 41.055 40.790 0.265 18712 10879 1 18 . 1 1 58 58 ASP H H 58 8.209 8.209 7.782 0.427 18712 10880 1 18 . 1 1 59 59 LEU N N 59 119.828 119.828 122.732 -2.904 18712 10881 1 18 . 1 1 59 59 LEU HA H 59 3.976 3.976 4.312 -0.336 18712 10882 1 18 . 1 1 59 59 LEU CA C 59 56.875 56.875 53.903 2.972 18712 10883 1 18 . 1 1 59 59 LEU CB C 59 44.219 44.219 41.925 2.294 18712 10884 1 18 . 1 1 59 59 LEU H H 59 8.570 8.570 8.650 -0.080 18712 10885 1 18 . 1 1 60 60 LEU N N 60 116.594 116.594 114.145 2.449 18712 10886 1 18 . 1 1 60 60 LEU HA H 60 4.518 4.518 3.983 0.535 18712 10887 1 18 . 1 1 60 60 LEU CB C 60 44.922 44.922 40.401 4.521 18712 10888 1 18 . 1 1 60 60 LEU H H 60 8.816 8.816 7.445 1.371 18712 10889 1 18 . 1 1 61 61 VAL N N 61 115.656 115.656 117.529 -1.873 18712 10890 1 18 . 1 1 61 61 VAL HA H 61 4.618 4.618 4.229 0.389 18712 10891 1 18 . 1 1 61 61 VAL CA C 61 61.093 61.093 60.625 0.468 18712 10892 1 18 . 1 1 61 61 VAL CB C 61 36.484 36.484 35.472 1.012 18712 10893 1 18 . 1 1 61 61 VAL H H 61 7.322 7.322 7.360 -0.038 18712 10894 1 18 . 1 1 62 62 GLY N N 62 117.191 117.191 114.581 2.610 18712 10895 1 18 . 1 1 62 62 GLY CA C 62 45.625 45.625 44.382 1.243 18712 10896 1 18 . 1 1 62 62 GLY H H 62 9.563 9.563 8.511 1.052 18712 10897 1 18 . 1 1 63 63 LYS N N 63 127.584 127.584 127.470 0.114 18712 10898 1 18 . 1 1 63 63 LYS HA H 63 5.328 5.328 4.752 0.576 18712 10899 1 18 . 1 1 63 63 LYS CA C 63 56.172 56.172 55.757 0.415 18712 10900 1 18 . 1 1 63 63 LYS CB C 63 35.078 35.078 35.047 0.030 18712 10901 1 18 . 1 1 63 63 LYS H H 63 8.712 8.712 8.638 0.074 18712 10902 1 18 . 1 1 64 64 VAL N N 64 114.383 114.383 120.002 -5.619 18712 10903 1 18 . 1 1 64 64 VAL HA H 64 5.523 5.523 5.211 0.312 18712 10904 1 18 . 1 1 64 64 VAL CA C 64 57.578 57.578 59.544 -1.966 18712 10905 1 18 . 1 1 64 64 VAL CB C 64 35.781 35.781 35.866 -0.085 18712 10906 1 18 . 1 1 64 64 VAL H H 64 8.481 8.481 7.990 0.491 18712 10907 1 18 . 1 1 65 65 THR N N 65 118.431 118.431 111.988 6.443 18712 10908 1 18 . 1 1 65 65 THR HA H 65 4.602 4.602 4.976 -0.374 18712 10909 1 18 . 1 1 65 65 THR CA C 65 59.687 59.687 58.926 0.761 18712 10910 1 18 . 1 1 65 65 THR CB C 65 72.343 72.343 70.430 1.913 18712 10911 1 18 . 1 1 65 65 THR H H 65 8.637 8.637 8.058 0.579 18712 10912 1 18 . 1 1 66 66 PRO HA H 66 4.557 4.557 4.740 -0.183 18712 10913 1 18 . 1 1 66 66 PRO CA C 66 63.906 63.906 62.465 1.441 18712 10914 1 18 . 1 1 66 66 PRO CB C 66 32.969 32.969 32.474 0.495 18712 10915 1 18 . 1 1 67 67 LYS N N 67 122.359 122.359 122.082 0.277 18712 10916 1 18 . 1 1 67 67 LYS HA H 67 4.391 4.391 4.614 -0.223 18712 10917 1 18 . 1 1 67 67 LYS CA C 67 56.172 56.172 54.810 1.361 18712 10918 1 18 . 1 1 67 67 LYS CB C 67 35.078 35.078 36.098 -1.020 18712 10919 1 18 . 1 1 67 67 LYS H H 67 8.371 8.371 8.516 -0.145 18712 10920 1 18 . 1 1 68 68 GLY N N 68 109.563 109.563 106.523 3.040 18712 10921 1 18 . 1 1 68 68 GLY CA C 68 44.922 44.922 44.718 0.204 18712 10922 1 18 . 1 1 68 68 GLY H H 68 8.583 8.583 8.369 0.214 18712 10923 1 18 . 1 1 69 69 VAL N N 69 118.378 118.378 114.569 3.809 18712 10924 1 18 . 1 1 69 69 VAL HA H 69 4.032 4.032 4.251 -0.219 18712 10925 1 18 . 1 1 69 69 VAL CA C 69 63.203 63.203 63.571 -0.368 18712 10926 1 18 . 1 1 69 69 VAL CB C 69 32.266 32.266 31.565 0.701 18712 10927 1 18 . 1 1 69 69 VAL H H 69 8.235 8.235 8.198 0.037 18712 10928 1 18 . 1 1 70 70 THR N N 70 114.484 114.484 116.839 -2.355 18712 10929 1 18 . 1 1 70 70 THR HA H 70 4.281 4.281 4.160 0.121 18712 10930 1 18 . 1 1 70 70 THR CA C 70 62.500 62.500 65.364 -2.864 18712 10931 1 18 . 1 1 70 70 THR CB C 70 69.531 69.531 68.854 0.677 18712 10932 1 18 . 1 1 70 70 THR H H 70 8.085 8.085 7.984 0.101 18712 10933 1 18 . 1 1 71 71 GLU N N 71 121.656 121.656 121.443 0.213 18712 10934 1 18 . 1 1 71 71 GLU HA H 71 4.325 4.325 4.530 -0.205 18712 10935 1 18 . 1 1 71 71 GLU CA C 71 56.172 56.172 55.419 0.753 18712 10936 1 18 . 1 1 71 71 GLU CB C 71 30.859 30.859 29.472 1.387 18712 10937 1 18 . 1 1 71 71 GLU H H 71 8.175 8.175 8.350 -0.175 18712 10938 1 18 . 1 1 72 72 LEU N N 72 122.219 122.219 121.447 0.772 18712 10939 1 18 . 1 1 72 72 LEU HA H 72 4.534 4.534 4.256 0.278 18712 10940 1 18 . 1 1 72 72 LEU CA C 72 54.765 54.765 55.307 -0.542 18712 10941 1 18 . 1 1 72 72 LEU CB C 72 42.812 42.812 43.023 -0.211 18712 10942 1 18 . 1 1 72 72 LEU H H 72 7.770 7.770 7.949 -0.179 18712 10943 1 18 . 1 1 73 73 THR N N 73 114.407 114.407 110.475 3.932 18712 10944 1 18 . 1 1 73 73 THR HA H 73 4.405 4.405 4.500 -0.095 18712 10945 1 18 . 1 1 73 73 THR CA C 73 61.093 61.093 60.368 0.725 18712 10946 1 18 . 1 1 73 73 THR CB C 73 70.937 70.937 71.073 -0.137 18712 10947 1 18 . 1 1 73 73 THR H H 73 8.869 8.869 7.993 0.876 18712 10948 1 18 . 1 1 74 74 ALA N N 74 123.782 123.782 126.097 -2.315 18712 10949 1 18 . 1 1 74 74 ALA HA H 74 4.026 4.026 4.040 -0.014 18712 10950 1 18 . 1 1 74 74 ALA CA C 74 55.468 55.468 54.861 0.606 18712 10951 1 18 . 1 1 74 74 ALA CB C 74 18.203 18.203 18.396 -0.194 18712 10952 1 18 . 1 1 74 74 ALA H H 74 8.831 8.831 8.857 -0.026 18712 10953 1 18 . 1 1 75 75 GLU N N 75 117.578 117.578 117.799 -0.221 18712 10954 1 18 . 1 1 75 75 GLU HA H 75 4.043 4.043 4.036 0.007 18712 10955 1 18 . 1 1 75 75 GLU CA C 75 59.687 59.687 59.337 0.349 18712 10956 1 18 . 1 1 75 75 GLU CB C 75 29.453 29.453 29.230 0.223 18712 10957 1 18 . 1 1 75 75 GLU H H 75 8.637 8.637 8.718 -0.081 18712 10958 1 18 . 1 1 76 76 GLU N N 76 120.042 120.042 118.391 1.651 18712 10959 1 18 . 1 1 76 76 GLU HA H 76 4.010 4.010 4.118 -0.108 18712 10960 1 18 . 1 1 76 76 GLU CA C 76 58.281 58.281 59.058 -0.777 18712 10961 1 18 . 1 1 76 76 GLU CB C 76 30.859 30.859 29.249 1.610 18712 10962 1 18 . 1 1 76 76 GLU H H 76 7.847 7.847 7.587 0.260 18712 10963 1 18 . 1 1 77 77 ARG N N 77 119.687 119.687 117.817 1.870 18712 10964 1 18 . 1 1 77 77 ARG HA H 77 3.975 3.975 4.112 -0.137 18712 10965 1 18 . 1 1 77 77 ARG CA C 77 58.984 58.984 58.632 0.353 18712 10966 1 18 . 1 1 77 77 ARG CB C 77 30.156 30.156 29.187 0.969 18712 10967 1 18 . 1 1 77 77 ARG H H 77 8.452 8.452 7.599 0.853 18712 10968 1 18 . 1 1 78 78 LEU N N 78 120.250 120.250 115.373 4.877 18712 10969 1 18 . 1 1 78 78 LEU HA H 78 4.210 4.210 4.567 -0.357 18712 10970 1 18 . 1 1 78 78 LEU CA C 78 56.875 56.875 56.444 0.431 18712 10971 1 18 . 1 1 78 78 LEU CB C 78 42.109 42.109 41.634 0.475 18712 10972 1 18 . 1 1 78 78 LEU H H 78 7.685 7.685 7.445 0.240 18712 10973 1 18 . 1 1 79 79 LEU N N 79 119.265 119.265 122.077 -2.812 18712 10974 1 18 . 1 1 79 79 LEU HA H 79 4.208 4.208 3.930 0.278 18712 10975 1 18 . 1 1 79 79 LEU CA C 79 56.875 56.875 57.842 -0.967 18712 10976 1 18 . 1 1 79 79 LEU CB C 79 42.109 42.109 41.555 0.554 18712 10977 1 18 . 1 1 79 79 LEU H H 79 7.679 7.679 7.830 -0.151 18712 10978 1 18 . 1 1 80 80 HIS N N 80 118.348 118.348 119.000 -0.652 18712 10979 1 18 . 1 1 80 80 HIS HA H 80 4.422 4.422 4.357 0.065 18712 10980 1 18 . 1 1 80 80 HIS CA C 80 57.578 57.578 57.872 -0.294 18712 10981 1 18 . 1 1 80 80 HIS CB C 80 30.156 30.156 29.530 0.626 18712 10982 1 18 . 1 1 80 80 HIS H H 80 8.127 8.127 7.971 0.156 18712 10983 1 18 . 1 1 81 81 ALA N N 81 122.359 122.359 120.469 1.890 18712 10984 1 18 . 1 1 81 81 ALA HA H 81 4.204 4.204 4.051 0.153 18712 10985 1 18 . 1 1 81 81 ALA CA C 81 54.062 54.062 54.079 -0.017 18712 10986 1 18 . 1 1 81 81 ALA CB C 81 18.906 18.906 18.239 0.667 18712 10987 1 18 . 1 1 81 81 ALA H H 81 7.908 7.908 7.897 0.011 18712 10988 1 18 . 1 1 82 82 ILE N N 82 117.705 117.705 118.286 -0.581 18712 10989 1 18 . 1 1 82 82 ILE HA H 82 3.972 3.972 3.849 0.123 18712 10990 1 18 . 1 1 82 82 ILE CA C 82 62.500 62.500 63.855 -1.355 18712 10991 1 18 . 1 1 82 82 ILE CB C 82 38.594 38.594 38.114 0.480 18712 10992 1 18 . 1 1 82 82 ILE H H 82 7.780 7.780 7.154 0.626 18712 10993 1 18 . 1 1 83 83 PHE N N 83 120.528 120.528 118.815 1.713 18712 10994 1 18 . 1 1 83 83 PHE HA H 83 4.633 4.633 4.374 0.259 18712 10995 1 18 . 1 1 83 83 PHE CA C 83 58.281 58.281 59.272 -0.991 18712 10996 1 18 . 1 1 83 83 PHE CB C 83 40.000 40.000 39.894 0.106 18712 10997 1 18 . 1 1 83 83 PHE H H 83 8.227 8.227 7.958 0.269 18712 10998 1 18 . 1 1 84 84 GLY N N 84 110.328 110.328 107.478 2.850 18712 10999 1 18 . 1 1 84 84 GLY CA C 84 45.625 45.625 45.935 -0.310 18712 11000 1 18 . 1 1 84 84 GLY H H 84 8.157 8.157 8.005 0.152 18712 11001 1 18 . 1 1 85 85 GLU N N 85 120.975 120.975 118.072 2.903 18712 11002 1 18 . 1 1 85 85 GLU HA H 85 4.234 4.234 4.589 -0.355 18712 11003 1 18 . 1 1 85 85 GLU CA C 85 57.226 57.226 54.834 2.392 18712 11004 1 18 . 1 1 85 85 GLU CB C 85 30.156 30.156 33.148 -2.993 18712 11005 1 18 . 1 1 85 85 GLU H H 85 8.374 8.374 8.385 -0.011 18712 11006 1 18 . 1 1 86 86 LYS N N 86 121.202 121.202 122.106 -0.904 18712 11007 1 18 . 1 1 86 86 LYS HA H 86 4.291 4.291 4.318 -0.027 18712 11008 1 18 . 1 1 86 86 LYS CA C 86 56.172 56.172 56.442 -0.270 18712 11009 1 18 . 1 1 86 86 LYS CB C 86 32.969 32.969 32.342 0.627 18712 11010 1 18 . 1 1 86 86 LYS H H 86 8.230 8.230 8.657 -0.427 18712 11011 1 18 . 1 1 87 87 ALA N N 87 124.596 124.596 125.914 -1.318 18712 11012 1 18 . 1 1 87 87 ALA HA H 87 4.236 4.236 4.603 -0.367 18712 11013 1 18 . 1 1 87 87 ALA CA C 87 52.656 52.656 51.273 1.383 18712 11014 1 18 . 1 1 87 87 ALA CB C 87 19.610 19.610 20.686 -1.077 18712 11015 1 18 . 1 1 87 87 ALA H H 87 8.179 8.179 8.155 0.024 18712 11016 1 18 . 1 1 88 88 ARG N N 88 120.688 120.688 119.860 0.828 18712 11017 1 18 . 1 1 88 88 ARG HA H 88 4.344 4.344 4.473 -0.129 18712 11018 1 18 . 1 1 88 88 ARG CA C 88 56.172 56.172 55.036 1.136 18712 11019 1 18 . 1 1 88 88 ARG CB C 88 30.859 30.859 30.656 0.203 18712 11020 1 18 . 1 1 88 88 ARG H H 88 8.274 8.274 8.409 -0.135 18712 11021 1 18 . 1 1 89 89 GLU N N 89 124.469 124.469 121.856 2.613 18712 11022 1 18 . 1 1 89 89 GLU HA H 89 4.575 4.575 4.621 -0.046 18712 11023 1 18 . 1 1 89 89 GLU CA C 89 55.468 55.468 55.036 0.431 18712 11024 1 18 . 1 1 89 89 GLU CB C 89 30.156 30.156 32.076 -1.920 18712 11025 1 18 . 1 1 89 89 GLU H H 89 8.632 8.632 8.640 -0.008 18712 11026 1 18 . 1 1 90 90 VAL N N 90 114.440 114.440 119.317 -4.877 18712 11027 1 18 . 1 1 90 90 VAL HA H 90 5.047 5.047 4.942 0.105 18712 11028 1 18 . 1 1 90 90 VAL CA C 90 58.984 58.984 60.807 -1.823 18712 11029 1 18 . 1 1 90 90 VAL CB C 90 36.484 36.484 35.554 0.930 18712 11030 1 18 . 1 1 90 90 VAL H H 90 8.246 8.246 8.289 -0.043 18712 11031 1 18 . 1 1 91 91 ARG N N 91 118.602 118.602 123.541 -4.939 18712 11032 1 18 . 1 1 91 91 ARG HA H 91 4.771 4.771 4.676 0.095 18712 11033 1 18 . 1 1 91 91 ARG CB C 91 33.672 33.672 33.386 0.286 18712 11034 1 18 . 1 1 91 91 ARG H H 91 9.062 9.062 8.935 0.127 18712 11035 1 18 . 1 1 92 92 ASP N N 92 121.656 121.656 125.465 -3.809 18712 11036 1 18 . 1 1 92 92 ASP HA H 92 4.754 4.754 4.575 0.179 18712 11037 1 18 . 1 1 92 92 ASP CB C 92 41.406 41.406 39.943 1.463 18712 11038 1 18 . 1 1 92 92 ASP H H 92 8.770 8.770 8.840 -0.070 18712 11039 1 18 . 1 1 93 93 THR N N 93 124.654 124.654 114.132 10.522 18712 11040 1 18 . 1 1 93 93 THR HA H 93 4.586 4.586 4.505 0.081 18712 11041 1 18 . 1 1 93 93 THR CA C 93 60.390 60.390 61.315 -0.925 18712 11042 1 18 . 1 1 93 93 THR CB C 93 66.718 66.718 69.806 -3.088 18712 11043 1 18 . 1 1 93 93 THR H H 93 9.253 9.253 8.209 1.044 18712 11044 1 18 . 1 1 94 94 SER N N 94 117.437 117.437 116.678 0.759 18712 11045 1 18 . 1 1 94 94 SER HA H 94 4.455 4.455 4.593 -0.138 18712 11046 1 18 . 1 1 94 94 SER CA C 94 60.390 60.390 58.110 2.280 18712 11047 1 18 . 1 1 94 94 SER CB C 94 63.906 63.906 64.510 -0.604 18712 11048 1 18 . 1 1 94 94 SER H H 94 8.564 8.564 7.437 1.127 18712 11049 1 18 . 1 1 95 95 LEU N N 95 125.594 125.594 120.174 5.420 18712 11050 1 18 . 1 1 95 95 LEU HA H 95 4.684 4.684 4.497 0.187 18712 11051 1 18 . 1 1 95 95 LEU CB C 95 43.516 43.516 42.981 0.535 18712 11052 1 18 . 1 1 95 95 LEU H H 95 8.964 8.964 8.199 0.765 18712 11053 1 18 . 1 1 96 96 ARG N N 96 128.669 128.669 121.553 7.116 18712 11054 1 18 . 1 1 96 96 ARG HA H 96 5.061 5.061 4.469 0.592 18712 11055 1 18 . 1 1 96 96 ARG CA C 96 54.062 54.062 55.338 -1.276 18712 11056 1 18 . 1 1 96 96 ARG CB C 96 34.375 34.375 30.714 3.661 18712 11057 1 18 . 1 1 96 96 ARG H H 96 8.709 8.709 8.499 0.210 18712 11058 1 18 . 1 1 97 97 VAL N N 97 121.375 121.375 126.341 -4.966 18712 11059 1 18 . 1 1 97 97 VAL HA H 97 3.386 3.386 4.582 -1.196 18712 11060 1 18 . 1 1 97 97 VAL CA C 97 61.093 61.093 58.769 2.324 18712 11061 1 18 . 1 1 97 97 VAL CB C 97 32.266 32.266 33.864 -1.598 18712 11062 1 18 . 1 1 97 97 VAL H H 97 8.745 8.745 8.436 0.309 18712 11063 1 18 . 1 1 98 98 PRO HA H 98 4.543 4.543 4.523 0.020 18712 11064 1 18 . 1 1 98 98 PRO CA C 98 62.500 62.500 62.363 0.137 18712 11065 1 18 . 1 1 98 98 PRO CB C 98 32.969 32.969 32.492 0.477 18712 11066 1 18 . 1 1 99 99 HIS N N 99 118.140 118.140 117.048 1.092 18712 11067 1 18 . 1 1 99 99 HIS HA H 99 4.272 4.272 4.498 -0.226 18712 11068 1 18 . 1 1 99 99 HIS CA C 99 58.281 58.281 57.039 1.242 18712 11069 1 18 . 1 1 99 99 HIS CB C 99 30.156 30.156 29.677 0.479 18712 11070 1 18 . 1 1 99 99 HIS H H 99 8.368 8.368 8.207 0.161 18712 11071 1 18 . 1 1 100 100 GLY N N 100 116.101 116.101 114.820 1.281 18712 11072 1 18 . 1 1 100 100 GLY CA C 100 45.625 45.625 45.359 0.266 18712 11073 1 18 . 1 1 100 100 GLY H H 100 9.411 9.411 8.899 0.512 18712 11074 1 18 . 1 1 101 101 GLY N N 101 108.798 108.798 109.594 -0.796 18712 11075 1 18 . 1 1 101 101 GLY CA C 101 45.625 45.625 45.596 0.029 18712 11076 1 18 . 1 1 101 101 GLY H H 101 8.399 8.399 7.888 0.511 18712 11077 1 18 . 1 1 102 102 GLY N N 102 105.967 105.967 109.408 -3.441 18712 11078 1 18 . 1 1 102 102 GLY CA C 102 45.625 45.625 45.271 0.354 18712 11079 1 18 . 1 1 102 102 GLY H H 102 8.310 8.310 8.365 -0.055 18712 11080 1 18 . 1 1 103 103 GLY N N 103 107.574 107.574 106.914 0.660 18712 11081 1 18 . 1 1 103 103 GLY CA C 103 46.328 46.328 43.678 2.650 18712 11082 1 18 . 1 1 103 103 GLY H H 103 8.075 8.075 7.503 0.572 18712 11083 1 18 . 1 1 104 104 ILE N N 104 122.219 122.219 118.570 3.649 18712 11084 1 18 . 1 1 104 104 ILE HA H 104 5.075 5.075 4.400 0.675 18712 11085 1 18 . 1 1 104 104 ILE CA C 104 58.281 58.281 60.268 -1.987 18712 11086 1 18 . 1 1 104 104 ILE CB C 104 40.703 40.703 42.531 -1.828 18712 11087 1 18 . 1 1 104 104 ILE H H 104 8.269 8.269 7.604 0.665 18712 11088 1 18 . 1 1 105 105 ILE N N 105 124.237 124.237 124.807 -0.570 18712 11089 1 18 . 1 1 105 105 ILE HA H 105 4.312 4.312 4.227 0.085 18712 11090 1 18 . 1 1 105 105 ILE CA C 105 60.390 60.390 61.284 -0.894 18712 11091 1 18 . 1 1 105 105 ILE CB C 105 34.375 34.375 35.255 -0.880 18712 11092 1 18 . 1 1 105 105 ILE H H 105 8.965 8.965 8.401 0.564 18712 11093 1 18 . 1 1 106 106 HIS N N 106 135.053 135.053 128.113 6.940 18712 11094 1 18 . 1 1 106 106 HIS HA H 106 4.506 4.506 4.640 -0.134 18712 11095 1 18 . 1 1 106 106 HIS CA C 106 57.578 57.578 55.598 1.980 18712 11096 1 18 . 1 1 106 106 HIS CB C 106 33.672 33.672 31.819 1.853 18712 11097 1 18 . 1 1 106 106 HIS H H 106 9.604 9.604 8.462 1.142 18712 11098 1 18 . 1 1 107 107 ASP N N 107 112.528 112.528 118.606 -6.078 18712 11099 1 18 . 1 1 107 107 ASP HA H 107 4.707 4.707 4.757 -0.050 18712 11100 1 18 . 1 1 107 107 ASP CB C 107 42.812 42.812 45.499 -2.687 18712 11101 1 18 . 1 1 107 107 ASP H H 107 7.930 7.930 7.735 0.195 18712 11102 1 18 . 1 1 108 108 VAL N N 108 121.656 121.656 118.945 2.711 18712 11103 1 18 . 1 1 108 108 VAL HA H 108 5.028 5.028 4.343 0.685 18712 11104 1 18 . 1 1 108 108 VAL CA C 108 61.796 61.796 61.136 0.660 18712 11105 1 18 . 1 1 108 108 VAL CB C 108 36.484 36.484 35.274 1.210 18712 11106 1 18 . 1 1 108 108 VAL H H 108 8.325 8.325 8.333 -0.008 18712 11107 1 18 . 1 1 109 109 LYS N N 109 126.798 126.798 127.412 -0.614 18712 11108 1 18 . 1 1 109 109 LYS HA H 109 4.676 4.676 4.693 -0.017 18712 11109 1 18 . 1 1 109 109 LYS CB C 109 37.187 37.187 35.249 1.938 18712 11110 1 18 . 1 1 109 109 LYS H H 109 9.417 9.417 8.464 0.953 18712 11111 1 18 . 1 1 110 110 VAL N N 110 121.892 121.892 123.059 -1.167 18712 11112 1 18 . 1 1 110 110 VAL HA H 110 4.676 4.676 4.298 0.378 18712 11113 1 18 . 1 1 110 110 VAL CB C 110 33.672 33.672 33.677 -0.005 18712 11114 1 18 . 1 1 110 110 VAL H H 110 8.206 8.206 8.299 -0.093 18712 11115 1 18 . 1 1 111 111 PHE N N 111 126.578 126.578 127.046 -0.468 18712 11116 1 18 . 1 1 111 111 PHE HA H 111 4.995 4.995 4.794 0.201 18712 11117 1 18 . 1 1 111 111 PHE CA C 111 56.172 56.172 56.074 0.098 18712 11118 1 18 . 1 1 111 111 PHE CB C 111 42.109 42.109 40.914 1.195 18712 11119 1 18 . 1 1 111 111 PHE H H 111 9.459 9.459 8.979 0.480 18712 11120 1 18 . 1 1 112 112 ASN N N 112 121.797 121.797 119.167 2.630 18712 11121 1 18 . 1 1 112 112 ASN HA H 112 5.425 5.425 5.063 0.362 18712 11122 1 18 . 1 1 112 112 ASN CA C 112 52.656 52.656 51.857 0.799 18712 11123 1 18 . 1 1 112 112 ASN CB C 112 42.109 42.109 41.589 0.520 18712 11124 1 18 . 1 1 112 112 ASN H H 112 10.663 10.663 8.674 1.989 18712 11125 1 18 . 1 1 113 113 ARG N N 113 130.516 130.516 126.121 4.395 18712 11126 1 18 . 1 1 113 113 ARG HA H 113 4.435 4.435 4.380 0.055 18712 11127 1 18 . 1 1 113 113 ARG CA C 113 59.687 59.687 58.780 0.907 18712 11128 1 18 . 1 1 113 113 ARG CB C 113 30.859 30.859 29.861 0.998 18712 11129 1 18 . 1 1 113 113 ARG H H 113 9.138 9.138 9.043 0.095 18712 11130 1 18 . 1 1 114 114 GLU N N 114 119.008 119.008 120.053 -1.045 18712 11131 1 18 . 1 1 114 114 GLU HA H 114 4.142 4.142 4.127 0.015 18712 11132 1 18 . 1 1 114 114 GLU CA C 114 58.281 58.281 58.509 -0.228 18712 11133 1 18 . 1 1 114 114 GLU CB C 114 29.453 29.453 29.259 0.194 18712 11134 1 18 . 1 1 114 114 GLU H H 114 8.924 8.924 8.026 0.898 18712 11135 1 18 . 1 1 115 115 ASP N N 115 116.593 116.593 117.591 -0.998 18712 11136 1 18 . 1 1 115 115 ASP HA H 115 4.869 4.869 4.575 0.294 18712 11137 1 18 . 1 1 115 115 ASP CA C 115 54.062 54.062 54.229 -0.167 18712 11138 1 18 . 1 1 115 115 ASP CB C 115 42.109 42.109 41.411 0.698 18712 11139 1 18 . 1 1 115 115 ASP H H 115 7.356 7.356 7.775 -0.419 18712 11140 1 18 . 1 1 116 116 GLY N N 116 106.689 106.689 107.238 -0.549 18712 11141 1 18 . 1 1 116 116 GLY CA C 116 44.922 44.922 44.608 0.314 18712 11142 1 18 . 1 1 116 116 GLY H H 116 7.918 7.918 7.649 0.269 18712 11143 1 18 . 1 1 117 117 ASP N N 117 119.329 119.329 121.508 -2.179 18712 11144 1 18 . 1 1 117 117 ASP HA H 117 4.632 4.632 4.695 -0.063 18712 11145 1 18 . 1 1 117 117 ASP CA C 117 55.468 55.468 53.703 1.765 18712 11146 1 18 . 1 1 117 117 ASP CB C 117 41.406 41.406 42.172 -0.766 18712 11147 1 18 . 1 1 117 117 ASP H H 117 7.220 7.220 7.861 -0.641 18712 11148 1 18 . 1 1 118 118 GLU N N 118 123.484 123.484 125.261 -1.777 18712 11149 1 18 . 1 1 118 118 GLU HA H 118 4.240 4.240 4.382 -0.142 18712 11150 1 18 . 1 1 118 118 GLU CA C 118 56.875 56.875 56.723 0.152 18712 11151 1 18 . 1 1 118 118 GLU CB C 118 29.453 29.453 30.564 -1.111 18712 11152 1 18 . 1 1 118 118 GLU H H 118 8.626 8.626 8.523 0.103 18712 11153 1 18 . 1 1 119 119 LEU N N 119 129.139 129.139 126.714 2.425 18712 11154 1 18 . 1 1 119 119 LEU HA H 119 4.759 4.759 4.665 0.094 18712 11155 1 18 . 1 1 119 119 LEU CB C 119 44.219 44.219 44.217 0.002 18712 11156 1 18 . 1 1 119 119 LEU H H 119 8.106 8.106 8.320 -0.214 18712 11157 1 18 . 1 1 120 120 PRO CB C 120 31.914 31.914 30.810 1.104 18712 11158 1 18 . 1 1 121 121 PRO HA H 121 4.269 4.269 4.362 -0.093 18712 11159 1 18 . 1 1 121 121 PRO CA C 121 63.906 63.906 63.551 0.355 18712 11160 1 18 . 1 1 121 121 PRO CB C 121 31.563 31.563 31.593 -0.031 18712 11161 1 18 . 1 1 122 122 GLY N N 122 112.656 112.656 111.251 1.405 18712 11162 1 18 . 1 1 122 122 GLY CA C 122 45.625 45.625 44.946 0.679 18712 11163 1 18 . 1 1 122 122 GLY H H 122 8.827 8.827 8.628 0.199 18712 11164 1 18 . 1 1 123 123 VAL N N 123 119.406 119.406 118.569 0.837 18712 11165 1 18 . 1 1 123 123 VAL HA H 123 4.017 4.017 4.559 -0.542 18712 11166 1 18 . 1 1 123 123 VAL CA C 123 62.851 62.851 61.029 1.822 18712 11167 1 18 . 1 1 123 123 VAL CB C 123 32.266 32.266 33.813 -1.547 18712 11168 1 18 . 1 1 123 123 VAL H H 123 7.845 7.845 7.390 0.455 18712 11169 1 18 . 1 1 124 124 ASN N N 124 124.609 124.609 122.038 2.571 18712 11170 1 18 . 1 1 124 124 ASN HA H 124 4.877 4.877 4.968 -0.091 18712 11171 1 18 . 1 1 124 124 ASN CA C 124 54.765 54.765 53.722 1.043 18712 11172 1 18 . 1 1 124 124 ASN CB C 124 40.000 40.000 41.611 -1.611 18712 11173 1 18 . 1 1 124 124 ASN H H 124 9.206 9.206 8.721 0.485 18712 11174 1 18 . 1 1 125 125 GLN N N 125 117.959 117.959 115.259 2.700 18712 11175 1 18 . 1 1 125 125 GLN HA H 125 5.234 5.234 4.635 0.599 18712 11176 1 18 . 1 1 125 125 GLN CA C 125 56.172 56.172 55.204 0.968 18712 11177 1 18 . 1 1 125 125 GLN CB C 125 33.672 33.672 33.174 0.498 18712 11178 1 18 . 1 1 125 125 GLN H H 125 7.756 7.756 7.631 0.125 18712 11179 1 18 . 1 1 126 126 LEU N N 126 125.559 125.559 122.452 3.107 18712 11180 1 18 . 1 1 126 126 LEU HA H 126 5.261 5.261 5.099 0.162 18712 11181 1 18 . 1 1 126 126 LEU CA C 126 54.765 54.765 54.562 0.203 18712 11182 1 18 . 1 1 126 126 LEU CB C 126 47.734 47.734 46.207 1.527 18712 11183 1 18 . 1 1 126 126 LEU H H 126 8.866 8.866 8.275 0.591 18712 11184 1 18 . 1 1 127 127 VAL N N 127 126.578 126.578 126.503 0.075 18712 11185 1 18 . 1 1 127 127 VAL HA H 127 5.127 5.127 4.646 0.481 18712 11186 1 18 . 1 1 127 127 VAL CA C 127 60.390 60.390 60.344 0.046 18712 11187 1 18 . 1 1 127 127 VAL CB C 127 35.078 35.078 36.090 -1.012 18712 11188 1 18 . 1 1 127 127 VAL H H 127 9.367 9.367 9.201 0.166 18712 11189 1 18 . 1 1 128 128 ARG N N 128 126.578 126.578 126.154 0.424 18712 11190 1 18 . 1 1 128 128 ARG HA H 128 5.259 5.259 5.148 0.111 18712 11191 1 18 . 1 1 128 128 ARG CA C 128 54.765 54.765 53.772 0.993 18712 11192 1 18 . 1 1 128 128 ARG CB C 128 33.672 33.672 34.388 -0.716 18712 11193 1 18 . 1 1 128 128 ARG H H 128 9.502 9.502 8.914 0.588 18712 11194 1 18 . 1 1 129 129 VAL N N 129 123.977 123.977 119.076 4.901 18712 11195 1 18 . 1 1 129 129 VAL HA H 129 4.489 4.489 4.419 0.070 18712 11196 1 18 . 1 1 129 129 VAL CA C 129 61.093 61.093 61.433 -0.340 18712 11197 1 18 . 1 1 129 129 VAL CB C 129 35.078 35.078 34.787 0.291 18712 11198 1 18 . 1 1 129 129 VAL H H 129 9.051 9.051 8.107 0.944 18712 11199 1 18 . 1 1 130 130 TYR N N 130 124.673 124.673 123.097 1.576 18712 11200 1 18 . 1 1 130 130 TYR HA H 130 5.419 5.419 5.077 0.343 18712 11201 1 18 . 1 1 130 130 TYR CA C 130 56.172 56.172 56.535 -0.363 18712 11202 1 18 . 1 1 130 130 TYR CB C 130 39.297 39.297 40.136 -0.839 18712 11203 1 18 . 1 1 130 130 TYR H H 130 8.650 8.650 8.358 0.292 18712 11204 1 18 . 1 1 131 131 ILE N N 131 125.227 125.227 123.588 1.639 18712 11205 1 18 . 1 1 131 131 ILE HA H 131 4.869 4.869 4.702 0.167 18712 11206 1 18 . 1 1 131 131 ILE CB C 131 40.000 40.000 41.862 -1.862 18712 11207 1 18 . 1 1 131 131 ILE H H 131 9.509 9.509 8.918 0.591 18712 11208 1 18 . 1 1 132 132 VAL N N 132 126.859 126.859 121.902 4.957 18712 11209 1 18 . 1 1 132 132 VAL HA H 132 4.729 4.729 5.165 -0.436 18712 11210 1 18 . 1 1 132 132 VAL CA C 132 61.093 61.093 59.241 1.852 18712 11211 1 18 . 1 1 132 132 VAL CB C 132 33.672 33.672 33.474 0.198 18712 11212 1 18 . 1 1 132 132 VAL H H 132 9.606 9.606 7.989 1.617 18712 11213 1 18 . 1 1 133 133 GLN N N 133 128.406 128.406 125.727 2.679 18712 11214 1 18 . 1 1 133 133 GLN HA H 133 4.751 4.751 4.449 0.302 18712 11215 1 18 . 1 1 133 133 GLN CA C 133 54.765 54.765 55.495 -0.730 18712 11216 1 18 . 1 1 133 133 GLN CB C 133 31.563 31.563 29.701 1.862 18712 11217 1 18 . 1 1 133 133 GLN H H 133 9.153 9.153 8.173 0.980 18712 11218 1 18 . 1 1 134 134 LYS N N 134 122.929 122.929 124.367 -1.438 18712 11219 1 18 . 1 1 134 134 LYS HA H 134 4.725 4.725 4.373 0.352 18712 11220 1 18 . 1 1 134 134 LYS CA C 134 56.172 56.172 55.882 0.290 18712 11221 1 18 . 1 1 134 134 LYS CB C 134 33.320 33.320 33.048 0.272 18712 11222 1 18 . 1 1 134 134 LYS H H 134 8.561 8.561 8.546 0.015 18712 11223 1 18 . 1 1 135 135 ARG N N 135 123.484 123.484 122.992 0.492 18712 11224 1 18 . 1 1 135 135 ARG HA H 135 4.503 4.503 4.207 0.296 18712 11225 1 18 . 1 1 135 135 ARG CA C 135 55.468 55.468 56.188 -0.720 18712 11226 1 18 . 1 1 135 135 ARG CB C 135 32.266 32.266 30.648 1.619 18712 11227 1 18 . 1 1 135 135 ARG H H 135 8.596 8.596 8.336 0.260 18712 11228 1 18 . 1 1 136 136 LYS N N 136 123.906 123.906 120.975 2.931 18712 11229 1 18 . 1 1 136 136 LYS HA H 136 4.467 4.467 4.499 -0.032 18712 11230 1 18 . 1 1 136 136 LYS CA C 136 56.172 56.172 55.796 0.376 18712 11231 1 18 . 1 1 136 136 LYS CB C 136 32.969 32.969 33.443 -0.474 18712 11232 1 18 . 1 1 136 136 LYS H H 136 8.608 8.608 8.311 0.297 18712 11233 1 18 . 1 1 137 137 ILE N N 137 123.571 123.571 118.534 5.037 18712 11234 1 18 . 1 1 137 137 ILE HA H 137 4.184 4.184 4.487 -0.303 18712 11235 1 18 . 1 1 137 137 ILE CA C 137 61.093 61.093 59.413 1.680 18712 11236 1 18 . 1 1 137 137 ILE CB C 137 38.594 38.594 39.286 -0.692 18712 11237 1 18 . 1 1 137 137 ILE H H 137 8.353 8.353 8.028 0.325 18712 11238 1 18 . 1 1 138 138 SER N N 138 119.547 119.547 116.425 3.122 18712 11239 1 18 . 1 1 138 138 SER HA H 138 4.503 4.503 4.733 -0.230 18712 11240 1 18 . 1 1 138 138 SER CA C 138 58.281 58.281 57.840 0.440 18712 11241 1 18 . 1 1 138 138 SER CB C 138 63.906 63.906 63.866 0.040 18712 11242 1 18 . 1 1 138 138 SER H H 138 8.410 8.410 8.321 0.089 18712 11243 1 18 . 1 1 139 139 GLU N N 139 123.281 123.281 122.509 0.772 18712 11244 1 18 . 1 1 139 139 GLU HA H 139 4.307 4.307 4.450 -0.143 18712 11245 1 18 . 1 1 139 139 GLU CA C 139 56.875 56.875 56.591 0.284 18712 11246 1 18 . 1 1 139 139 GLU CB C 139 30.156 30.156 30.086 0.070 18712 11247 1 18 . 1 1 139 139 GLU H H 139 8.489 8.489 8.894 -0.405 18712 11248 1 18 . 1 1 140 140 GLY N N 140 109.792 109.792 109.627 0.165 18712 11249 1 18 . 1 1 140 140 GLY CA C 140 45.625 45.625 44.941 0.684 18712 11250 1 18 . 1 1 140 140 GLY H H 140 8.418 8.418 8.447 -0.029 18712 11251 1 19 . 1 1 4 4 VAL N N 4 119.125 119.125 119.664 -0.539 18712 11252 1 19 . 1 1 4 4 VAL HA H 4 4.070 4.070 4.375 -0.305 18712 11253 1 19 . 1 1 4 4 VAL CA C 4 62.500 62.500 61.919 0.581 18712 11254 1 19 . 1 1 4 4 VAL CB C 4 32.969 32.969 33.825 -0.856 18712 11255 1 19 . 1 1 4 4 VAL H H 4 7.998 7.998 8.180 -0.182 18712 11256 1 19 . 1 1 5 5 TYR N N 5 122.640 122.640 125.468 -2.828 18712 11257 1 19 . 1 1 5 5 TYR HA H 5 4.674 4.674 4.529 0.145 18712 11258 1 19 . 1 1 5 5 TYR CA C 5 58.281 58.281 59.374 -1.093 18712 11259 1 19 . 1 1 5 5 TYR CB C 5 38.594 38.594 39.124 -0.530 18712 11260 1 19 . 1 1 5 5 TYR H H 5 8.305 8.305 8.464 -0.159 18712 11261 1 19 . 1 1 6 6 THR N N 6 114.861 114.861 113.492 1.369 18712 11262 1 19 . 1 1 6 6 THR HA H 6 4.548 4.548 4.590 -0.042 18712 11263 1 19 . 1 1 6 6 THR CA C 6 61.796 61.796 61.097 0.699 18712 11264 1 19 . 1 1 6 6 THR CB C 6 70.234 70.234 71.522 -1.288 18712 11265 1 19 . 1 1 6 6 THR H H 6 8.003 8.003 8.185 -0.182 18712 11266 1 19 . 1 1 7 7 SER N N 7 118.140 118.140 117.961 0.179 18712 11267 1 19 . 1 1 7 7 SER HA H 7 4.600 4.600 4.754 -0.154 18712 11268 1 19 . 1 1 7 7 SER CA C 7 57.578 57.578 57.330 0.248 18712 11269 1 19 . 1 1 7 7 SER CB C 7 64.609 64.609 64.521 0.088 18712 11270 1 19 . 1 1 7 7 SER H H 7 8.487 8.487 8.209 0.278 18712 11271 1 19 . 1 1 8 8 ILE N N 8 121.375 121.375 121.881 -0.506 18712 11272 1 19 . 1 1 8 8 ILE HA H 8 4.627 4.627 4.133 0.494 18712 11273 1 19 . 1 1 8 8 ILE CA C 8 60.390 60.390 60.952 -0.562 18712 11274 1 19 . 1 1 8 8 ILE CB C 8 40.000 40.000 38.608 1.392 18712 11275 1 19 . 1 1 8 8 ILE H H 8 8.139 8.139 8.166 -0.027 18712 11276 1 19 . 1 1 9 9 HIS N N 9 125.734 125.734 125.430 0.304 18712 11277 1 19 . 1 1 9 9 HIS HA H 9 4.768 4.768 4.798 -0.030 18712 11278 1 19 . 1 1 9 9 HIS CB C 9 32.617 32.617 32.507 0.110 18712 11279 1 19 . 1 1 9 9 HIS H H 9 8.743 8.743 8.611 0.132 18712 11280 1 19 . 1 1 10 10 ILE N N 10 125.875 125.875 122.133 3.742 18712 11281 1 19 . 1 1 10 10 ILE HA H 10 4.806 4.806 4.587 0.219 18712 11282 1 19 . 1 1 10 10 ILE CB C 10 39.297 39.297 38.299 0.998 18712 11283 1 19 . 1 1 10 10 ILE H H 10 8.035 8.035 8.598 -0.563 18712 11284 1 19 . 1 1 11 11 GLU N N 11 129.438 129.438 128.869 0.569 18712 11285 1 19 . 1 1 11 11 GLU HA H 11 4.472 4.472 4.423 0.049 18712 11286 1 19 . 1 1 11 11 GLU CA C 11 54.062 54.062 55.058 -0.996 18712 11287 1 19 . 1 1 11 11 GLU CB C 11 32.617 32.617 31.305 1.312 18712 11288 1 19 . 1 1 11 11 GLU H H 11 8.934 8.934 9.018 -0.084 18712 11289 1 19 . 1 1 12 12 GLU N N 12 123.983 123.983 120.953 3.030 18712 11290 1 19 . 1 1 12 12 GLU HA H 12 4.752 4.752 4.614 0.138 18712 11291 1 19 . 1 1 12 12 GLU CA C 12 54.062 54.062 55.421 -1.359 18712 11292 1 19 . 1 1 12 12 GLU CB C 12 32.617 32.617 31.263 1.354 18712 11293 1 19 . 1 1 12 12 GLU H H 12 8.192 8.192 8.448 -0.256 18712 11294 1 19 . 1 1 13 13 TYR N N 13 122.826 122.826 123.890 -1.064 18712 11295 1 19 . 1 1 13 13 TYR HA H 13 4.741 4.741 4.721 0.020 18712 11296 1 19 . 1 1 13 13 TYR CB C 13 42.812 42.812 41.307 1.505 18712 11297 1 19 . 1 1 13 13 TYR H H 13 8.926 8.926 8.237 0.689 18712 11298 1 19 . 1 1 14 14 GLU N N 14 119.329 119.329 120.945 -1.616 18712 11299 1 19 . 1 1 14 14 GLU HA H 14 5.647 5.647 4.793 0.854 18712 11300 1 19 . 1 1 14 14 GLU CA C 14 54.765 54.765 55.011 -0.246 18712 11301 1 19 . 1 1 14 14 GLU CB C 14 34.375 34.375 32.991 1.384 18712 11302 1 19 . 1 1 14 14 GLU H H 14 8.716 8.716 8.554 0.162 18712 11303 1 19 . 1 1 15 15 SER N N 15 116.172 116.172 117.786 -1.614 18712 11304 1 19 . 1 1 15 15 SER HA H 15 4.616 4.616 4.801 -0.185 18712 11305 1 19 . 1 1 15 15 SER CA C 15 57.578 57.578 58.433 -0.855 18712 11306 1 19 . 1 1 15 15 SER CB C 15 66.015 66.015 65.393 0.622 18712 11307 1 19 . 1 1 15 15 SER H H 15 8.922 8.922 8.241 0.681 18712 11308 1 19 . 1 1 16 16 GLU N N 16 125.172 125.172 123.720 1.452 18712 11309 1 19 . 1 1 16 16 GLU HA H 16 5.082 5.082 4.883 0.199 18712 11310 1 19 . 1 1 16 16 GLU CA C 16 54.062 54.062 53.837 0.225 18712 11311 1 19 . 1 1 16 16 GLU CB C 16 32.969 32.969 33.392 -0.423 18712 11312 1 19 . 1 1 16 16 GLU H H 16 8.587 8.587 8.123 0.464 18712 11313 1 19 . 1 1 17 17 ALA N N 17 124.890 124.890 127.381 -2.491 18712 11314 1 19 . 1 1 17 17 ALA HA H 17 4.969 4.969 4.359 0.610 18712 11315 1 19 . 1 1 17 17 ALA CA C 17 50.547 50.547 51.818 -1.271 18712 11316 1 19 . 1 1 17 17 ALA CB C 17 19.610 19.610 18.995 0.615 18712 11317 1 19 . 1 1 17 17 ALA H H 17 9.000 9.000 8.438 0.562 18712 11318 1 19 . 1 1 18 18 ARG N N 18 125.376 125.376 125.045 0.331 18712 11319 1 19 . 1 1 18 18 ARG HA H 18 5.175 5.175 5.055 0.120 18712 11320 1 19 . 1 1 18 18 ARG CA C 18 54.765 54.765 54.541 0.224 18712 11321 1 19 . 1 1 18 18 ARG CB C 18 34.375 34.375 31.648 2.727 18712 11322 1 19 . 1 1 18 18 ARG H H 18 9.624 9.624 8.038 1.586 18712 11323 1 19 . 1 1 19 19 ASP N N 19 119.828 119.828 123.177 -3.349 18712 11324 1 19 . 1 1 19 19 ASP HA H 19 4.685 4.685 4.455 0.230 18712 11325 1 19 . 1 1 19 19 ASP CA C 19 55.117 55.117 54.554 0.563 18712 11326 1 19 . 1 1 19 19 ASP CB C 19 41.406 41.406 40.872 0.534 18712 11327 1 19 . 1 1 19 19 ASP H H 19 8.420 8.420 8.597 -0.177 18712 11328 1 19 . 1 1 20 20 THR N N 20 112.948 112.948 114.632 -1.684 18712 11329 1 19 . 1 1 20 20 THR HA H 20 4.979 4.979 4.326 0.653 18712 11330 1 19 . 1 1 20 20 THR CA C 20 60.390 60.390 60.706 -0.316 18712 11331 1 19 . 1 1 20 20 THR CB C 20 73.046 73.046 70.282 2.764 18712 11332 1 19 . 1 1 20 20 THR H H 20 7.602 7.602 7.991 -0.389 18712 11333 1 19 . 1 1 21 21 LYS HA H 21 4.146 4.146 4.381 -0.235 18712 11334 1 19 . 1 1 21 21 LYS CA C 21 58.984 58.984 57.795 1.189 18712 11335 1 19 . 1 1 21 21 LYS CB C 21 32.266 32.266 31.664 0.602 18712 11336 1 19 . 1 1 22 22 LEU N N 22 117.346 117.346 120.122 -2.776 18712 11337 1 19 . 1 1 22 22 LEU HA H 22 4.532 4.532 4.489 0.043 18712 11338 1 19 . 1 1 22 22 LEU CA C 22 54.062 54.062 54.634 -0.572 18712 11339 1 19 . 1 1 22 22 LEU CB C 22 42.812 42.812 41.914 0.898 18712 11340 1 19 . 1 1 22 22 LEU H H 22 7.848 7.848 7.414 0.434 18712 11341 1 19 . 1 1 23 23 GLY N N 23 108.437 108.437 109.310 -0.873 18712 11342 1 19 . 1 1 23 23 GLY CA C 23 43.516 43.516 44.309 -0.793 18712 11343 1 19 . 1 1 23 23 GLY H H 23 7.407 7.407 7.369 0.038 18712 11344 1 19 . 1 1 24 24 PRO HA H 24 4.894 4.894 4.616 0.278 18712 11345 1 19 . 1 1 24 24 PRO CA C 24 63.906 63.906 62.346 1.560 18712 11346 1 19 . 1 1 24 24 PRO CB C 24 31.563 31.563 33.389 -1.826 18712 11347 1 19 . 1 1 25 25 GLU N N 25 118.281 118.281 118.727 -0.446 18712 11348 1 19 . 1 1 25 25 GLU HA H 25 4.621 4.621 4.384 0.237 18712 11349 1 19 . 1 1 25 25 GLU CA C 25 56.523 56.523 57.242 -0.720 18712 11350 1 19 . 1 1 25 25 GLU CB C 25 32.266 32.266 30.635 1.631 18712 11351 1 19 . 1 1 25 25 GLU H H 25 8.341 8.341 8.938 -0.597 18712 11352 1 19 . 1 1 26 26 GLU N N 26 119.406 119.406 118.466 0.940 18712 11353 1 19 . 1 1 26 26 GLU HA H 26 4.710 4.710 4.449 0.261 18712 11354 1 19 . 1 1 26 26 GLU CA C 26 54.765 54.765 55.722 -0.957 18712 11355 1 19 . 1 1 26 26 GLU CB C 26 33.672 33.672 30.749 2.923 18712 11356 1 19 . 1 1 26 26 GLU H H 26 8.336 8.336 7.767 0.569 18712 11357 1 19 . 1 1 27 27 ILE N N 27 127.472 127.472 122.020 5.452 18712 11358 1 19 . 1 1 27 27 ILE HA H 27 5.009 5.009 4.273 0.736 18712 11359 1 19 . 1 1 27 27 ILE CA C 27 60.390 60.390 61.405 -1.015 18712 11360 1 19 . 1 1 27 27 ILE CB C 27 37.187 37.187 38.922 -1.735 18712 11361 1 19 . 1 1 27 27 ILE H H 27 8.405 8.405 8.534 -0.129 18712 11362 1 19 . 1 1 28 28 THR N N 28 124.387 124.387 119.638 4.749 18712 11363 1 19 . 1 1 28 28 THR HA H 28 4.492 4.492 4.623 -0.131 18712 11364 1 19 . 1 1 28 28 THR CA C 28 59.687 59.687 60.901 -1.214 18712 11365 1 19 . 1 1 28 28 THR CB C 28 68.125 68.125 70.555 -2.429 18712 11366 1 19 . 1 1 28 28 THR H H 28 8.191 8.191 8.540 -0.349 18712 11367 1 19 . 1 1 29 29 ARG N N 29 120.568 120.568 121.269 -0.701 18712 11368 1 19 . 1 1 29 29 ARG HA H 29 4.202 4.202 4.738 -0.536 18712 11369 1 19 . 1 1 29 29 ARG CA C 29 55.468 55.468 54.862 0.605 18712 11370 1 19 . 1 1 29 29 ARG CB C 29 32.266 32.266 31.812 0.454 18712 11371 1 19 . 1 1 29 29 ARG H H 29 7.995 7.995 8.461 -0.466 18712 11372 1 19 . 1 1 30 30 ASP N N 30 123.906 123.906 122.919 0.987 18712 11373 1 19 . 1 1 30 30 ASP HA H 30 4.619 4.619 4.721 -0.102 18712 11374 1 19 . 1 1 30 30 ASP CA C 30 53.359 53.359 53.922 -0.563 18712 11375 1 19 . 1 1 30 30 ASP CB C 30 38.594 38.594 42.288 -3.694 18712 11376 1 19 . 1 1 30 30 ASP H H 30 8.784 8.784 8.673 0.111 18712 11377 1 19 . 1 1 31 31 ILE N N 31 123.422 123.422 123.323 0.099 18712 11378 1 19 . 1 1 31 31 ILE HA H 31 4.063 4.063 4.459 -0.396 18712 11379 1 19 . 1 1 31 31 ILE CA C 31 57.578 57.578 56.654 0.923 18712 11380 1 19 . 1 1 31 31 ILE CB C 31 40.703 40.703 37.278 3.425 18712 11381 1 19 . 1 1 31 31 ILE H H 31 7.404 7.404 8.110 -0.706 18712 11382 1 19 . 1 1 32 32 PRO HA H 32 4.273 4.273 4.524 -0.251 18712 11383 1 19 . 1 1 32 32 PRO CA C 32 63.554 63.554 63.044 0.510 18712 11384 1 19 . 1 1 32 32 PRO CB C 32 32.266 32.266 32.418 -0.152 18712 11385 1 19 . 1 1 33 33 ASN N N 33 114.027 114.027 115.936 -1.909 18712 11386 1 19 . 1 1 33 33 ASN HA H 33 4.269 4.269 4.347 -0.078 18712 11387 1 19 . 1 1 33 33 ASN CA C 33 55.117 55.117 53.865 1.252 18712 11388 1 19 . 1 1 33 33 ASN CB C 33 37.891 37.891 36.990 0.901 18712 11389 1 19 . 1 1 33 33 ASN H H 33 8.880 8.880 8.653 0.227 18712 11390 1 19 . 1 1 34 34 VAL N N 34 117.111 117.111 119.722 -2.611 18712 11391 1 19 . 1 1 34 34 VAL HA H 34 4.249 4.249 4.268 -0.019 18712 11392 1 19 . 1 1 34 34 VAL CA C 34 62.148 62.148 61.354 0.794 18712 11393 1 19 . 1 1 34 34 VAL CB C 34 33.672 33.672 33.218 0.454 18712 11394 1 19 . 1 1 34 34 VAL H H 34 7.328 7.328 7.611 -0.283 18712 11395 1 19 . 1 1 35 35 GLY N N 35 113.600 113.600 111.271 2.329 18712 11396 1 19 . 1 1 35 35 GLY CA C 35 44.219 44.219 44.001 0.218 18712 11397 1 19 . 1 1 35 35 GLY H H 35 8.653 8.653 8.371 0.282 18712 11398 1 19 . 1 1 36 36 GLU N N 36 118.562 118.562 120.215 -1.653 18712 11399 1 19 . 1 1 36 36 GLU HA H 36 3.888 3.888 4.166 -0.278 18712 11400 1 19 . 1 1 36 36 GLU CA C 36 59.687 59.687 58.783 0.904 18712 11401 1 19 . 1 1 36 36 GLU CB C 36 29.453 29.453 29.451 0.001 18712 11402 1 19 . 1 1 36 36 GLU H H 36 8.457 8.457 8.723 -0.266 18712 11403 1 19 . 1 1 37 37 ASP N N 37 118.140 118.140 117.240 0.900 18712 11404 1 19 . 1 1 37 37 ASP HA H 37 4.335 4.335 4.487 -0.152 18712 11405 1 19 . 1 1 37 37 ASP CA C 37 56.875 56.875 55.832 1.043 18712 11406 1 19 . 1 1 37 37 ASP CB C 37 40.000 40.000 40.540 -0.540 18712 11407 1 19 . 1 1 37 37 ASP H H 37 8.728 8.728 8.243 0.485 18712 11408 1 19 . 1 1 38 38 ALA N N 38 120.752 120.752 121.463 -0.711 18712 11409 1 19 . 1 1 38 38 ALA HA H 38 4.288 4.288 4.213 0.075 18712 11410 1 19 . 1 1 38 38 ALA CA C 38 53.359 53.359 54.286 -0.927 18712 11411 1 19 . 1 1 38 38 ALA CB C 38 18.555 18.555 18.781 -0.226 18712 11412 1 19 . 1 1 38 38 ALA H H 38 7.642 7.642 8.204 -0.562 18712 11413 1 19 . 1 1 39 39 LEU N N 39 117.015 117.015 112.376 4.639 18712 11414 1 19 . 1 1 39 39 LEU HA H 39 4.295 4.295 4.740 -0.445 18712 11415 1 19 . 1 1 39 39 LEU CA C 39 54.765 54.765 54.190 0.575 18712 11416 1 19 . 1 1 39 39 LEU CB C 39 43.164 43.164 41.411 1.753 18712 11417 1 19 . 1 1 39 39 LEU H H 39 7.446 7.446 7.246 0.200 18712 11418 1 19 . 1 1 40 40 ARG N N 40 118.017 118.017 119.048 -1.031 18712 11419 1 19 . 1 1 40 40 ARG HA H 40 4.064 4.064 4.126 -0.062 18712 11420 1 19 . 1 1 40 40 ARG CA C 40 59.687 59.687 58.141 1.546 18712 11421 1 19 . 1 1 40 40 ARG CB C 40 30.508 30.508 30.325 0.183 18712 11422 1 19 . 1 1 40 40 ARG H H 40 7.079 7.079 7.429 -0.350 18712 11423 1 19 . 1 1 41 41 ASN N N 41 115.439 115.439 115.637 -0.198 18712 11424 1 19 . 1 1 41 41 ASN HA H 41 4.996 4.996 4.732 0.264 18712 11425 1 19 . 1 1 41 41 ASN CA C 41 53.359 53.359 53.128 0.231 18712 11426 1 19 . 1 1 41 41 ASN CB C 41 39.297 39.297 39.495 -0.198 18712 11427 1 19 . 1 1 41 41 ASN H H 41 9.057 9.057 8.229 0.828 18712 11428 1 19 . 1 1 42 42 LEU N N 42 118.703 118.703 122.253 -3.550 18712 11429 1 19 . 1 1 42 42 LEU HA H 42 4.403 4.403 4.167 0.236 18712 11430 1 19 . 1 1 42 42 LEU CA C 42 54.062 54.062 56.145 -2.083 18712 11431 1 19 . 1 1 42 42 LEU CB C 42 42.812 42.812 42.297 0.515 18712 11432 1 19 . 1 1 42 42 LEU H H 42 7.719 7.719 8.009 -0.290 18712 11433 1 19 . 1 1 43 43 ASP N N 43 122.791 122.791 127.373 -4.582 18712 11434 1 19 . 1 1 43 43 ASP HA H 43 4.481 4.481 4.750 -0.269 18712 11435 1 19 . 1 1 43 43 ASP CA C 43 52.656 52.656 53.341 -0.685 18712 11436 1 19 . 1 1 43 43 ASP CB C 43 39.648 39.648 41.788 -2.140 18712 11437 1 19 . 1 1 43 43 ASP H H 43 8.933 8.933 8.289 0.644 18712 11438 1 19 . 1 1 44 44 ASP N N 44 114.917 114.917 119.616 -4.699 18712 11439 1 19 . 1 1 44 44 ASP HA H 44 4.278 4.278 4.437 -0.159 18712 11440 1 19 . 1 1 44 44 ASP CA C 44 56.875 56.875 56.636 0.239 18712 11441 1 19 . 1 1 44 44 ASP CB C 44 40.000 40.000 40.497 -0.497 18712 11442 1 19 . 1 1 44 44 ASP H H 44 8.281 8.281 8.783 -0.502 18712 11443 1 19 . 1 1 45 45 ARG N N 45 118.140 118.140 117.468 0.672 18712 11444 1 19 . 1 1 45 45 ARG HA H 45 4.366 4.366 4.250 0.116 18712 11445 1 19 . 1 1 45 45 ARG CA C 45 55.117 55.117 56.398 -1.281 18712 11446 1 19 . 1 1 45 45 ARG CB C 45 30.859 30.859 30.226 0.633 18712 11447 1 19 . 1 1 45 45 ARG H H 45 8.500 8.500 8.292 0.208 18712 11448 1 19 . 1 1 46 46 GLY N N 46 101.828 101.828 106.167 -4.339 18712 11449 1 19 . 1 1 46 46 GLY CA C 46 45.273 45.273 44.803 0.470 18712 11450 1 19 . 1 1 46 46 GLY H H 46 7.680 7.680 7.795 -0.115 18712 11451 1 19 . 1 1 47 47 VAL N N 47 119.955 119.955 118.023 1.932 18712 11452 1 19 . 1 1 47 47 VAL HA H 47 4.406 4.406 4.379 0.027 18712 11453 1 19 . 1 1 47 47 VAL CA C 47 61.796 61.796 58.598 3.198 18712 11454 1 19 . 1 1 47 47 VAL CB C 47 33.672 33.672 34.116 -0.444 18712 11455 1 19 . 1 1 47 47 VAL H H 47 8.007 8.007 7.386 0.621 18712 11456 1 19 . 1 1 48 48 ILE N N 48 128.406 128.406 128.582 -0.176 18712 11457 1 19 . 1 1 48 48 ILE HA H 48 4.202 4.202 4.100 0.102 18712 11458 1 19 . 1 1 48 48 ILE CA C 48 59.687 59.687 61.199 -1.512 18712 11459 1 19 . 1 1 48 48 ILE CB C 48 38.945 38.945 36.457 2.488 18712 11460 1 19 . 1 1 48 48 ILE H H 48 8.145 8.145 8.341 -0.196 18712 11461 1 19 . 1 1 49 49 ARG N N 49 123.765 123.765 127.194 -3.429 18712 11462 1 19 . 1 1 49 49 ARG HA H 49 4.328 4.328 4.126 0.202 18712 11463 1 19 . 1 1 49 49 ARG CA C 49 56.875 56.875 56.659 0.216 18712 11464 1 19 . 1 1 49 49 ARG CB C 49 31.563 31.563 31.310 0.253 18712 11465 1 19 . 1 1 49 49 ARG H H 49 7.447 7.447 7.459 -0.012 18712 11466 1 19 . 1 1 50 50 ILE N N 50 121.094 121.094 119.952 1.142 18712 11467 1 19 . 1 1 50 50 ILE HA H 50 3.414 3.414 3.905 -0.491 18712 11468 1 19 . 1 1 50 50 ILE CA C 50 64.609 64.609 60.909 3.700 18712 11469 1 19 . 1 1 50 50 ILE H H 50 8.284 8.284 8.207 0.077 18712 11470 1 19 . 1 1 51 51 GLY N N 51 115.791 115.791 113.049 2.742 18712 11471 1 19 . 1 1 51 51 GLY CA C 51 44.922 44.922 45.346 -0.424 18712 11472 1 19 . 1 1 51 51 GLY H H 51 8.679 8.679 9.083 -0.404 18712 11473 1 19 . 1 1 52 52 ALA N N 52 122.065 122.065 122.832 -0.767 18712 11474 1 19 . 1 1 52 52 ALA HA H 52 4.246 4.246 4.555 -0.309 18712 11475 1 19 . 1 1 52 52 ALA CA C 52 52.656 52.656 50.660 1.996 18712 11476 1 19 . 1 1 52 52 ALA CB C 52 18.906 18.906 20.319 -1.413 18712 11477 1 19 . 1 1 52 52 ALA H H 52 7.496 7.496 7.551 -0.055 18712 11478 1 19 . 1 1 53 53 GLU N N 53 121.468 121.468 124.023 -2.555 18712 11479 1 19 . 1 1 53 53 GLU HA H 53 4.892 4.892 4.233 0.659 18712 11480 1 19 . 1 1 53 53 GLU CB C 53 30.508 30.508 30.594 -0.086 18712 11481 1 19 . 1 1 53 53 GLU H H 53 8.427 8.427 8.693 -0.266 18712 11482 1 19 . 1 1 54 54 VAL N N 54 117.437 117.437 124.878 -7.441 18712 11483 1 19 . 1 1 54 54 VAL HA H 54 4.979 4.979 4.180 0.799 18712 11484 1 19 . 1 1 54 54 VAL CA C 54 58.632 58.632 61.013 -2.381 18712 11485 1 19 . 1 1 54 54 VAL CB C 54 35.781 35.781 33.230 2.551 18712 11486 1 19 . 1 1 54 54 VAL H H 54 9.002 9.002 8.366 0.636 18712 11487 1 19 . 1 1 55 55 LYS N N 55 123.906 123.906 124.177 -0.271 18712 11488 1 19 . 1 1 55 55 LYS HA H 55 4.698 4.698 4.658 0.040 18712 11489 1 19 . 1 1 55 55 LYS CA C 55 53.359 53.359 54.258 -0.899 18712 11490 1 19 . 1 1 55 55 LYS CB C 55 35.781 35.781 34.757 1.024 18712 11491 1 19 . 1 1 55 55 LYS H H 55 9.244 9.244 8.026 1.218 18712 11492 1 19 . 1 1 56 56 ASP N N 56 118.562 118.562 120.022 -1.460 18712 11493 1 19 . 1 1 56 56 ASP HA H 56 3.764 3.764 4.395 -0.631 18712 11494 1 19 . 1 1 56 56 ASP CA C 56 56.172 56.172 55.076 1.096 18712 11495 1 19 . 1 1 56 56 ASP CB C 56 40.000 40.000 40.628 -0.628 18712 11496 1 19 . 1 1 56 56 ASP H H 56 8.176 8.176 8.397 -0.221 18712 11497 1 19 . 1 1 57 57 GLY N N 57 112.515 112.515 112.272 0.243 18712 11498 1 19 . 1 1 57 57 GLY CA C 57 45.625 45.625 45.092 0.533 18712 11499 1 19 . 1 1 57 57 GLY H H 57 8.841 8.841 8.420 0.421 18712 11500 1 19 . 1 1 58 58 ASP N N 58 121.375 121.375 119.920 1.455 18712 11501 1 19 . 1 1 58 58 ASP HA H 58 4.532 4.532 4.708 -0.176 18712 11502 1 19 . 1 1 58 58 ASP CA C 58 54.765 54.765 53.968 0.797 18712 11503 1 19 . 1 1 58 58 ASP CB C 58 41.055 41.055 42.122 -1.067 18712 11504 1 19 . 1 1 58 58 ASP H H 58 8.209 8.209 7.534 0.675 18712 11505 1 19 . 1 1 59 59 LEU N N 59 119.828 119.828 120.151 -0.323 18712 11506 1 19 . 1 1 59 59 LEU HA H 59 3.976 3.976 4.709 -0.733 18712 11507 1 19 . 1 1 59 59 LEU CA C 59 56.875 56.875 54.240 2.635 18712 11508 1 19 . 1 1 59 59 LEU CB C 59 44.219 44.219 42.762 1.457 18712 11509 1 19 . 1 1 59 59 LEU H H 59 8.570 8.570 8.523 0.047 18712 11510 1 19 . 1 1 60 60 LEU N N 60 116.594 116.594 114.537 2.057 18712 11511 1 19 . 1 1 60 60 LEU HA H 60 4.518 4.518 3.964 0.554 18712 11512 1 19 . 1 1 60 60 LEU CB C 60 44.922 44.922 40.347 4.575 18712 11513 1 19 . 1 1 60 60 LEU H H 60 8.816 8.816 7.789 1.027 18712 11514 1 19 . 1 1 61 61 VAL N N 61 115.656 115.656 116.434 -0.778 18712 11515 1 19 . 1 1 61 61 VAL HA H 61 4.618 4.618 4.248 0.370 18712 11516 1 19 . 1 1 61 61 VAL CA C 61 61.093 61.093 61.022 0.071 18712 11517 1 19 . 1 1 61 61 VAL CB C 61 36.484 36.484 35.785 0.699 18712 11518 1 19 . 1 1 61 61 VAL H H 61 7.322 7.322 7.317 0.005 18712 11519 1 19 . 1 1 62 62 GLY N N 62 117.191 117.191 114.193 2.998 18712 11520 1 19 . 1 1 62 62 GLY CA C 62 45.625 45.625 44.804 0.820 18712 11521 1 19 . 1 1 62 62 GLY H H 62 9.563 9.563 8.351 1.212 18712 11522 1 19 . 1 1 63 63 LYS N N 63 127.584 127.584 128.016 -0.432 18712 11523 1 19 . 1 1 63 63 LYS HA H 63 5.328 5.328 4.673 0.655 18712 11524 1 19 . 1 1 63 63 LYS CA C 63 56.172 56.172 55.156 1.016 18712 11525 1 19 . 1 1 63 63 LYS CB C 63 35.078 35.078 34.967 0.111 18712 11526 1 19 . 1 1 63 63 LYS H H 63 8.712 8.712 7.819 0.893 18712 11527 1 19 . 1 1 64 64 VAL N N 64 114.383 114.383 122.257 -7.874 18712 11528 1 19 . 1 1 64 64 VAL HA H 64 5.523 5.523 4.876 0.647 18712 11529 1 19 . 1 1 64 64 VAL CA C 64 57.578 57.578 59.376 -1.798 18712 11530 1 19 . 1 1 64 64 VAL CB C 64 35.781 35.781 34.040 1.741 18712 11531 1 19 . 1 1 64 64 VAL H H 64 8.481 8.481 7.983 0.498 18712 11532 1 19 . 1 1 65 65 THR N N 65 118.431 118.431 117.284 1.147 18712 11533 1 19 . 1 1 65 65 THR HA H 65 4.602 4.602 4.868 -0.266 18712 11534 1 19 . 1 1 65 65 THR CA C 65 59.687 59.687 59.089 0.598 18712 11535 1 19 . 1 1 65 65 THR CB C 65 72.343 72.343 68.826 3.518 18712 11536 1 19 . 1 1 65 65 THR H H 65 8.637 8.637 8.011 0.626 18712 11537 1 19 . 1 1 66 66 PRO HA H 66 4.557 4.557 4.474 0.083 18712 11538 1 19 . 1 1 66 66 PRO CA C 66 63.906 63.906 62.746 1.159 18712 11539 1 19 . 1 1 66 66 PRO CB C 66 32.969 32.969 32.533 0.436 18712 11540 1 19 . 1 1 67 67 LYS N N 67 122.359 122.359 120.266 2.093 18712 11541 1 19 . 1 1 67 67 LYS HA H 67 4.391 4.391 4.508 -0.117 18712 11542 1 19 . 1 1 67 67 LYS CA C 67 56.172 56.172 54.987 1.185 18712 11543 1 19 . 1 1 67 67 LYS CB C 67 35.078 35.078 34.821 0.257 18712 11544 1 19 . 1 1 67 67 LYS H H 67 8.371 8.371 7.758 0.613 18712 11545 1 19 . 1 1 68 68 GLY N N 68 109.563 109.563 107.785 1.778 18712 11546 1 19 . 1 1 68 68 GLY CA C 68 44.922 44.922 44.337 0.585 18712 11547 1 19 . 1 1 68 68 GLY H H 68 8.583 8.583 8.147 0.436 18712 11548 1 19 . 1 1 69 69 VAL N N 69 118.378 118.378 120.009 -1.631 18712 11549 1 19 . 1 1 69 69 VAL HA H 69 4.032 4.032 4.047 -0.015 18712 11550 1 19 . 1 1 69 69 VAL CA C 69 63.203 63.203 64.252 -1.049 18712 11551 1 19 . 1 1 69 69 VAL CB C 69 32.266 32.266 32.314 -0.048 18712 11552 1 19 . 1 1 69 69 VAL H H 69 8.235 8.235 8.510 -0.275 18712 11553 1 19 . 1 1 70 70 THR N N 70 114.484 114.484 115.000 -0.516 18712 11554 1 19 . 1 1 70 70 THR HA H 70 4.281 4.281 4.312 -0.031 18712 11555 1 19 . 1 1 70 70 THR CA C 70 62.500 62.500 64.091 -1.591 18712 11556 1 19 . 1 1 70 70 THR CB C 70 69.531 69.531 68.772 0.759 18712 11557 1 19 . 1 1 70 70 THR H H 70 8.085 8.085 7.769 0.316 18712 11558 1 19 . 1 1 71 71 GLU N N 71 121.656 121.656 120.653 1.003 18712 11559 1 19 . 1 1 71 71 GLU HA H 71 4.325 4.325 4.213 0.112 18712 11560 1 19 . 1 1 71 71 GLU CA C 71 56.172 56.172 57.299 -1.127 18712 11561 1 19 . 1 1 71 71 GLU CB C 71 30.859 30.859 29.779 1.080 18712 11562 1 19 . 1 1 71 71 GLU H H 71 8.175 8.175 8.106 0.069 18712 11563 1 19 . 1 1 72 72 LEU N N 72 122.219 122.219 120.349 1.870 18712 11564 1 19 . 1 1 72 72 LEU HA H 72 4.534 4.534 4.160 0.374 18712 11565 1 19 . 1 1 72 72 LEU CA C 72 54.765 54.765 56.627 -1.862 18712 11566 1 19 . 1 1 72 72 LEU CB C 72 42.812 42.812 42.116 0.696 18712 11567 1 19 . 1 1 72 72 LEU H H 72 7.770 7.770 7.573 0.197 18712 11568 1 19 . 1 1 73 73 THR N N 73 114.407 114.407 111.061 3.346 18712 11569 1 19 . 1 1 73 73 THR HA H 73 4.405 4.405 4.443 -0.038 18712 11570 1 19 . 1 1 73 73 THR CA C 73 61.093 61.093 60.427 0.666 18712 11571 1 19 . 1 1 73 73 THR CB C 73 70.937 70.937 70.996 -0.059 18712 11572 1 19 . 1 1 73 73 THR H H 73 8.869 8.869 7.714 1.155 18712 11573 1 19 . 1 1 74 74 ALA N N 74 123.782 123.782 122.506 1.276 18712 11574 1 19 . 1 1 74 74 ALA HA H 74 4.026 4.026 4.179 -0.153 18712 11575 1 19 . 1 1 74 74 ALA CA C 74 55.468 55.468 54.686 0.782 18712 11576 1 19 . 1 1 74 74 ALA CB C 74 18.203 18.203 18.404 -0.201 18712 11577 1 19 . 1 1 74 74 ALA H H 74 8.831 8.831 8.707 0.124 18712 11578 1 19 . 1 1 75 75 GLU N N 75 117.578 117.578 117.875 -0.297 18712 11579 1 19 . 1 1 75 75 GLU HA H 75 4.043 4.043 4.040 0.003 18712 11580 1 19 . 1 1 75 75 GLU CA C 75 59.687 59.687 59.078 0.609 18712 11581 1 19 . 1 1 75 75 GLU CB C 75 29.453 29.453 28.804 0.649 18712 11582 1 19 . 1 1 75 75 GLU H H 75 8.637 8.637 8.264 0.373 18712 11583 1 19 . 1 1 76 76 GLU N N 76 120.042 120.042 118.593 1.449 18712 11584 1 19 . 1 1 76 76 GLU HA H 76 4.010 4.010 4.170 -0.161 18712 11585 1 19 . 1 1 76 76 GLU CA C 76 58.281 58.281 58.207 0.074 18712 11586 1 19 . 1 1 76 76 GLU CB C 76 30.859 30.859 29.388 1.471 18712 11587 1 19 . 1 1 76 76 GLU H H 76 7.847 7.847 7.557 0.290 18712 11588 1 19 . 1 1 77 77 ARG N N 77 119.687 119.687 119.193 0.494 18712 11589 1 19 . 1 1 77 77 ARG HA H 77 3.975 3.975 4.131 -0.156 18712 11590 1 19 . 1 1 77 77 ARG CA C 77 58.984 58.984 59.157 -0.173 18712 11591 1 19 . 1 1 77 77 ARG CB C 77 30.156 30.156 30.344 -0.188 18712 11592 1 19 . 1 1 77 77 ARG H H 77 8.452 8.452 7.446 1.006 18712 11593 1 19 . 1 1 78 78 LEU N N 78 120.250 120.250 119.234 1.016 18712 11594 1 19 . 1 1 78 78 LEU HA H 78 4.210 4.210 4.289 -0.079 18712 11595 1 19 . 1 1 78 78 LEU CA C 78 56.875 56.875 57.742 -0.867 18712 11596 1 19 . 1 1 78 78 LEU CB C 78 42.109 42.109 41.489 0.620 18712 11597 1 19 . 1 1 78 78 LEU H H 78 7.685 7.685 7.786 -0.101 18712 11598 1 19 . 1 1 79 79 LEU N N 79 119.265 119.265 120.513 -1.248 18712 11599 1 19 . 1 1 79 79 LEU HA H 79 4.208 4.208 3.958 0.250 18712 11600 1 19 . 1 1 79 79 LEU CA C 79 56.875 56.875 57.672 -0.797 18712 11601 1 19 . 1 1 79 79 LEU CB C 79 42.109 42.109 41.508 0.601 18712 11602 1 19 . 1 1 79 79 LEU H H 79 7.679 7.679 7.679 -0.000 18712 11603 1 19 . 1 1 80 80 HIS N N 80 118.348 118.348 119.160 -0.812 18712 11604 1 19 . 1 1 80 80 HIS HA H 80 4.422 4.422 4.249 0.173 18712 11605 1 19 . 1 1 80 80 HIS CA C 80 57.578 57.578 59.502 -1.924 18712 11606 1 19 . 1 1 80 80 HIS CB C 80 30.156 30.156 29.951 0.205 18712 11607 1 19 . 1 1 80 80 HIS H H 80 8.127 8.127 7.721 0.406 18712 11608 1 19 . 1 1 81 81 ALA N N 81 122.359 122.359 119.860 2.499 18712 11609 1 19 . 1 1 81 81 ALA HA H 81 4.204 4.204 4.249 -0.045 18712 11610 1 19 . 1 1 81 81 ALA CA C 81 54.062 54.062 53.854 0.208 18712 11611 1 19 . 1 1 81 81 ALA CB C 81 18.906 18.906 18.530 0.376 18712 11612 1 19 . 1 1 81 81 ALA H H 81 7.908 7.908 7.943 -0.035 18712 11613 1 19 . 1 1 82 82 ILE N N 82 117.705 117.705 118.656 -0.951 18712 11614 1 19 . 1 1 82 82 ILE HA H 82 3.972 3.972 3.801 0.171 18712 11615 1 19 . 1 1 82 82 ILE CA C 82 62.500 62.500 63.963 -1.463 18712 11616 1 19 . 1 1 82 82 ILE CB C 82 38.594 38.594 38.149 0.445 18712 11617 1 19 . 1 1 82 82 ILE H H 82 7.780 7.780 7.565 0.215 18712 11618 1 19 . 1 1 83 83 PHE N N 83 120.528 120.528 118.365 2.163 18712 11619 1 19 . 1 1 83 83 PHE HA H 83 4.633 4.633 4.331 0.302 18712 11620 1 19 . 1 1 83 83 PHE CA C 83 58.281 58.281 59.427 -1.146 18712 11621 1 19 . 1 1 83 83 PHE CB C 83 40.000 40.000 39.878 0.122 18712 11622 1 19 . 1 1 83 83 PHE H H 83 8.227 8.227 7.911 0.316 18712 11623 1 19 . 1 1 84 84 GLY N N 84 110.328 110.328 107.346 2.982 18712 11624 1 19 . 1 1 84 84 GLY CA C 84 45.625 45.625 45.436 0.189 18712 11625 1 19 . 1 1 84 84 GLY H H 84 8.157 8.157 7.849 0.308 18712 11626 1 19 . 1 1 85 85 GLU N N 85 120.975 120.975 117.161 3.814 18712 11627 1 19 . 1 1 85 85 GLU HA H 85 4.234 4.234 4.200 0.034 18712 11628 1 19 . 1 1 85 85 GLU CA C 85 57.226 57.226 55.094 2.132 18712 11629 1 19 . 1 1 85 85 GLU CB C 85 30.156 30.156 32.188 -2.032 18712 11630 1 19 . 1 1 85 85 GLU H H 85 8.374 8.374 7.552 0.822 18712 11631 1 19 . 1 1 86 86 LYS N N 86 121.202 121.202 123.433 -2.231 18712 11632 1 19 . 1 1 86 86 LYS HA H 86 4.291 4.291 4.430 -0.139 18712 11633 1 19 . 1 1 86 86 LYS CA C 86 56.172 56.172 56.580 -0.408 18712 11634 1 19 . 1 1 86 86 LYS CB C 86 32.969 32.969 32.748 0.221 18712 11635 1 19 . 1 1 86 86 LYS H H 86 8.230 8.230 8.445 -0.215 18712 11636 1 19 . 1 1 87 87 ALA N N 87 124.596 124.596 127.324 -2.728 18712 11637 1 19 . 1 1 87 87 ALA HA H 87 4.236 4.236 4.515 -0.279 18712 11638 1 19 . 1 1 87 87 ALA CA C 87 52.656 52.656 51.345 1.311 18712 11639 1 19 . 1 1 87 87 ALA CB C 87 19.610 19.610 21.050 -1.440 18712 11640 1 19 . 1 1 87 87 ALA H H 87 8.179 8.179 8.313 -0.134 18712 11641 1 19 . 1 1 88 88 ARG N N 88 120.688 120.688 121.476 -0.788 18712 11642 1 19 . 1 1 88 88 ARG HA H 88 4.344 4.344 4.400 -0.056 18712 11643 1 19 . 1 1 88 88 ARG CA C 88 56.172 56.172 55.722 0.450 18712 11644 1 19 . 1 1 88 88 ARG CB C 88 30.859 30.859 30.989 -0.130 18712 11645 1 19 . 1 1 88 88 ARG H H 88 8.274 8.274 8.396 -0.122 18712 11646 1 19 . 1 1 89 89 GLU N N 89 124.469 124.469 122.355 2.114 18712 11647 1 19 . 1 1 89 89 GLU HA H 89 4.575 4.575 4.597 -0.022 18712 11648 1 19 . 1 1 89 89 GLU CA C 89 55.468 55.468 55.744 -0.276 18712 11649 1 19 . 1 1 89 89 GLU CB C 89 30.156 30.156 31.412 -1.256 18712 11650 1 19 . 1 1 89 89 GLU H H 89 8.632 8.632 8.571 0.061 18712 11651 1 19 . 1 1 90 90 VAL N N 90 114.440 114.440 117.820 -3.380 18712 11652 1 19 . 1 1 90 90 VAL HA H 90 5.047 5.047 4.398 0.649 18712 11653 1 19 . 1 1 90 90 VAL CA C 90 58.984 58.984 59.482 -0.498 18712 11654 1 19 . 1 1 90 90 VAL CB C 90 36.484 36.484 34.510 1.974 18712 11655 1 19 . 1 1 90 90 VAL H H 90 8.246 8.246 8.250 -0.004 18712 11656 1 19 . 1 1 91 91 ARG N N 91 118.602 118.602 121.713 -3.111 18712 11657 1 19 . 1 1 91 91 ARG HA H 91 4.771 4.771 4.634 0.137 18712 11658 1 19 . 1 1 91 91 ARG CB C 91 33.672 33.672 32.839 0.833 18712 11659 1 19 . 1 1 91 91 ARG H H 91 9.062 9.062 8.607 0.455 18712 11660 1 19 . 1 1 92 92 ASP N N 92 121.656 121.656 125.494 -3.838 18712 11661 1 19 . 1 1 92 92 ASP HA H 92 4.754 4.754 4.611 0.143 18712 11662 1 19 . 1 1 92 92 ASP CB C 92 41.406 41.406 40.605 0.801 18712 11663 1 19 . 1 1 92 92 ASP H H 92 8.770 8.770 8.756 0.014 18712 11664 1 19 . 1 1 93 93 THR N N 93 124.654 124.654 116.195 8.459 18712 11665 1 19 . 1 1 93 93 THR HA H 93 4.586 4.586 4.472 0.114 18712 11666 1 19 . 1 1 93 93 THR CA C 93 60.390 60.390 61.193 -0.803 18712 11667 1 19 . 1 1 93 93 THR CB C 93 66.718 66.718 69.147 -2.429 18712 11668 1 19 . 1 1 93 93 THR H H 93 9.253 9.253 7.822 1.431 18712 11669 1 19 . 1 1 94 94 SER N N 94 117.437 117.437 116.676 0.761 18712 11670 1 19 . 1 1 94 94 SER HA H 94 4.455 4.455 4.436 0.019 18712 11671 1 19 . 1 1 94 94 SER CA C 94 60.390 60.390 59.148 1.242 18712 11672 1 19 . 1 1 94 94 SER CB C 94 63.906 63.906 64.127 -0.222 18712 11673 1 19 . 1 1 94 94 SER H H 94 8.564 8.564 7.773 0.791 18712 11674 1 19 . 1 1 95 95 LEU N N 95 125.594 125.594 118.451 7.143 18712 11675 1 19 . 1 1 95 95 LEU HA H 95 4.684 4.684 4.433 0.251 18712 11676 1 19 . 1 1 95 95 LEU CB C 95 43.516 43.516 42.524 0.992 18712 11677 1 19 . 1 1 95 95 LEU H H 95 8.964 8.964 8.427 0.537 18712 11678 1 19 . 1 1 96 96 ARG N N 96 128.669 128.669 120.956 7.713 18712 11679 1 19 . 1 1 96 96 ARG HA H 96 5.061 5.061 4.669 0.392 18712 11680 1 19 . 1 1 96 96 ARG CA C 96 54.062 54.062 55.104 -1.042 18712 11681 1 19 . 1 1 96 96 ARG CB C 96 34.375 34.375 31.361 3.014 18712 11682 1 19 . 1 1 96 96 ARG H H 96 8.709 8.709 8.335 0.374 18712 11683 1 19 . 1 1 97 97 VAL N N 97 121.375 121.375 122.600 -1.225 18712 11684 1 19 . 1 1 97 97 VAL HA H 97 3.386 3.386 4.628 -1.242 18712 11685 1 19 . 1 1 97 97 VAL CA C 97 61.093 61.093 58.928 2.166 18712 11686 1 19 . 1 1 97 97 VAL CB C 97 32.266 32.266 34.902 -2.636 18712 11687 1 19 . 1 1 97 97 VAL H H 97 8.745 8.745 8.419 0.326 18712 11688 1 19 . 1 1 98 98 PRO HA H 98 4.543 4.543 4.441 0.102 18712 11689 1 19 . 1 1 98 98 PRO CA C 98 62.500 62.500 62.398 0.102 18712 11690 1 19 . 1 1 98 98 PRO CB C 98 32.969 32.969 32.083 0.886 18712 11691 1 19 . 1 1 99 99 HIS N N 99 118.140 118.140 118.998 -0.858 18712 11692 1 19 . 1 1 99 99 HIS HA H 99 4.272 4.272 4.342 -0.070 18712 11693 1 19 . 1 1 99 99 HIS CA C 99 58.281 58.281 57.148 1.133 18712 11694 1 19 . 1 1 99 99 HIS CB C 99 30.156 30.156 29.575 0.581 18712 11695 1 19 . 1 1 99 99 HIS H H 99 8.368 8.368 8.051 0.317 18712 11696 1 19 . 1 1 100 100 GLY N N 100 116.101 116.101 115.227 0.874 18712 11697 1 19 . 1 1 100 100 GLY CA C 100 45.625 45.625 45.498 0.127 18712 11698 1 19 . 1 1 100 100 GLY H H 100 9.411 9.411 8.819 0.592 18712 11699 1 19 . 1 1 101 101 GLY N N 101 108.798 108.798 109.726 -0.928 18712 11700 1 19 . 1 1 101 101 GLY CA C 101 45.625 45.625 45.181 0.444 18712 11701 1 19 . 1 1 101 101 GLY H H 101 8.399 8.399 7.800 0.599 18712 11702 1 19 . 1 1 102 102 GLY N N 102 105.967 105.967 108.536 -2.569 18712 11703 1 19 . 1 1 102 102 GLY CA C 102 45.625 45.625 45.092 0.534 18712 11704 1 19 . 1 1 102 102 GLY H H 102 8.310 8.310 7.771 0.539 18712 11705 1 19 . 1 1 103 103 GLY N N 103 107.574 107.574 107.426 0.148 18712 11706 1 19 . 1 1 103 103 GLY CA C 103 46.328 46.328 43.755 2.573 18712 11707 1 19 . 1 1 103 103 GLY H H 103 8.075 8.075 7.545 0.530 18712 11708 1 19 . 1 1 104 104 ILE N N 104 122.219 122.219 118.361 3.858 18712 11709 1 19 . 1 1 104 104 ILE HA H 104 5.075 5.075 4.423 0.652 18712 11710 1 19 . 1 1 104 104 ILE CA C 104 58.281 58.281 60.127 -1.846 18712 11711 1 19 . 1 1 104 104 ILE CB C 104 40.703 40.703 42.637 -1.934 18712 11712 1 19 . 1 1 104 104 ILE H H 104 8.269 8.269 7.680 0.589 18712 11713 1 19 . 1 1 105 105 ILE N N 105 124.237 124.237 124.257 -0.020 18712 11714 1 19 . 1 1 105 105 ILE HA H 105 4.312 4.312 4.230 0.082 18712 11715 1 19 . 1 1 105 105 ILE CA C 105 60.390 60.390 61.264 -0.874 18712 11716 1 19 . 1 1 105 105 ILE CB C 105 34.375 34.375 34.918 -0.543 18712 11717 1 19 . 1 1 105 105 ILE H H 105 8.965 8.965 8.325 0.640 18712 11718 1 19 . 1 1 106 106 HIS N N 106 135.053 135.053 128.831 6.222 18712 11719 1 19 . 1 1 106 106 HIS HA H 106 4.506 4.506 4.761 -0.255 18712 11720 1 19 . 1 1 106 106 HIS CA C 106 57.578 57.578 56.476 1.102 18712 11721 1 19 . 1 1 106 106 HIS CB C 106 33.672 33.672 31.712 1.960 18712 11722 1 19 . 1 1 106 106 HIS H H 106 9.604 9.604 8.463 1.141 18712 11723 1 19 . 1 1 107 107 ASP N N 107 112.528 112.528 118.909 -6.381 18712 11724 1 19 . 1 1 107 107 ASP HA H 107 4.707 4.707 4.745 -0.038 18712 11725 1 19 . 1 1 107 107 ASP CB C 107 42.812 42.812 45.411 -2.599 18712 11726 1 19 . 1 1 107 107 ASP H H 107 7.930 7.930 7.860 0.070 18712 11727 1 19 . 1 1 108 108 VAL N N 108 121.656 121.656 120.416 1.240 18712 11728 1 19 . 1 1 108 108 VAL HA H 108 5.028 5.028 4.485 0.543 18712 11729 1 19 . 1 1 108 108 VAL CA C 108 61.796 61.796 61.249 0.547 18712 11730 1 19 . 1 1 108 108 VAL CB C 108 36.484 36.484 34.721 1.763 18712 11731 1 19 . 1 1 108 108 VAL H H 108 8.325 8.325 8.397 -0.072 18712 11732 1 19 . 1 1 109 109 LYS N N 109 126.798 126.798 128.232 -1.434 18712 11733 1 19 . 1 1 109 109 LYS HA H 109 4.676 4.676 4.628 0.048 18712 11734 1 19 . 1 1 109 109 LYS CB C 109 37.187 37.187 34.639 2.548 18712 11735 1 19 . 1 1 109 109 LYS H H 109 9.417 9.417 8.896 0.521 18712 11736 1 19 . 1 1 110 110 VAL N N 110 121.892 121.892 123.540 -1.648 18712 11737 1 19 . 1 1 110 110 VAL HA H 110 4.676 4.676 4.317 0.359 18712 11738 1 19 . 1 1 110 110 VAL CB C 110 33.672 33.672 33.572 0.100 18712 11739 1 19 . 1 1 110 110 VAL H H 110 8.206 8.206 8.182 0.024 18712 11740 1 19 . 1 1 111 111 PHE N N 111 126.578 126.578 127.744 -1.166 18712 11741 1 19 . 1 1 111 111 PHE HA H 111 4.995 4.995 4.851 0.144 18712 11742 1 19 . 1 1 111 111 PHE CA C 111 56.172 56.172 55.890 0.282 18712 11743 1 19 . 1 1 111 111 PHE CB C 111 42.109 42.109 41.150 0.959 18712 11744 1 19 . 1 1 111 111 PHE H H 111 9.459 9.459 8.962 0.497 18712 11745 1 19 . 1 1 112 112 ASN N N 112 121.797 121.797 119.373 2.424 18712 11746 1 19 . 1 1 112 112 ASN HA H 112 5.425 5.425 5.009 0.416 18712 11747 1 19 . 1 1 112 112 ASN CA C 112 52.656 52.656 51.800 0.856 18712 11748 1 19 . 1 1 112 112 ASN CB C 112 42.109 42.109 41.439 0.670 18712 11749 1 19 . 1 1 112 112 ASN H H 112 10.663 10.663 8.747 1.916 18712 11750 1 19 . 1 1 113 113 ARG N N 113 130.516 130.516 125.725 4.791 18712 11751 1 19 . 1 1 113 113 ARG HA H 113 4.435 4.435 4.413 0.022 18712 11752 1 19 . 1 1 113 113 ARG CA C 113 59.687 59.687 59.096 0.591 18712 11753 1 19 . 1 1 113 113 ARG CB C 113 30.859 30.859 30.385 0.474 18712 11754 1 19 . 1 1 113 113 ARG H H 113 9.138 9.138 9.015 0.123 18712 11755 1 19 . 1 1 114 114 GLU N N 114 119.008 119.008 117.922 1.086 18712 11756 1 19 . 1 1 114 114 GLU HA H 114 4.142 4.142 4.144 -0.002 18712 11757 1 19 . 1 1 114 114 GLU CA C 114 58.281 58.281 58.761 -0.480 18712 11758 1 19 . 1 1 114 114 GLU CB C 114 29.453 29.453 28.883 0.570 18712 11759 1 19 . 1 1 114 114 GLU H H 114 8.924 8.924 8.125 0.799 18712 11760 1 19 . 1 1 115 115 ASP N N 115 116.593 116.593 117.438 -0.845 18712 11761 1 19 . 1 1 115 115 ASP HA H 115 4.869 4.869 4.584 0.285 18712 11762 1 19 . 1 1 115 115 ASP CA C 115 54.062 54.062 54.644 -0.582 18712 11763 1 19 . 1 1 115 115 ASP CB C 115 42.109 42.109 41.643 0.466 18712 11764 1 19 . 1 1 115 115 ASP H H 115 7.356 7.356 7.901 -0.545 18712 11765 1 19 . 1 1 116 116 GLY N N 116 106.689 106.689 107.539 -0.850 18712 11766 1 19 . 1 1 116 116 GLY CA C 116 44.922 44.922 44.597 0.325 18712 11767 1 19 . 1 1 116 116 GLY H H 116 7.918 7.918 7.622 0.296 18712 11768 1 19 . 1 1 117 117 ASP N N 117 119.329 119.329 121.111 -1.782 18712 11769 1 19 . 1 1 117 117 ASP HA H 117 4.632 4.632 4.685 -0.053 18712 11770 1 19 . 1 1 117 117 ASP CA C 117 55.468 55.468 53.221 2.247 18712 11771 1 19 . 1 1 117 117 ASP CB C 117 41.406 41.406 41.952 -0.546 18712 11772 1 19 . 1 1 117 117 ASP H H 117 7.220 7.220 7.769 -0.549 18712 11773 1 19 . 1 1 118 118 GLU N N 118 123.484 123.484 122.982 0.502 18712 11774 1 19 . 1 1 118 118 GLU HA H 118 4.240 4.240 4.482 -0.242 18712 11775 1 19 . 1 1 118 118 GLU CA C 118 56.875 56.875 56.237 0.638 18712 11776 1 19 . 1 1 118 118 GLU CB C 118 29.453 29.453 30.681 -1.228 18712 11777 1 19 . 1 1 118 118 GLU H H 118 8.626 8.626 8.534 0.092 18712 11778 1 19 . 1 1 119 119 LEU N N 119 129.139 129.139 126.730 2.409 18712 11779 1 19 . 1 1 119 119 LEU HA H 119 4.759 4.759 4.689 0.070 18712 11780 1 19 . 1 1 119 119 LEU CB C 119 44.219 44.219 43.857 0.362 18712 11781 1 19 . 1 1 119 119 LEU H H 119 8.106 8.106 8.361 -0.255 18712 11782 1 19 . 1 1 120 120 PRO CB C 120 31.914 31.914 30.808 1.106 18712 11783 1 19 . 1 1 121 121 PRO HA H 121 4.269 4.269 4.324 -0.055 18712 11784 1 19 . 1 1 121 121 PRO CA C 121 63.906 63.906 63.748 0.158 18712 11785 1 19 . 1 1 121 121 PRO CB C 121 31.563 31.563 31.020 0.543 18712 11786 1 19 . 1 1 122 122 GLY N N 122 112.656 112.656 111.609 1.047 18712 11787 1 19 . 1 1 122 122 GLY CA C 122 45.625 45.625 44.921 0.704 18712 11788 1 19 . 1 1 122 122 GLY H H 122 8.827 8.827 8.714 0.113 18712 11789 1 19 . 1 1 123 123 VAL N N 123 119.406 119.406 119.999 -0.593 18712 11790 1 19 . 1 1 123 123 VAL HA H 123 4.017 4.017 4.490 -0.473 18712 11791 1 19 . 1 1 123 123 VAL CA C 123 62.851 62.851 62.143 0.708 18712 11792 1 19 . 1 1 123 123 VAL CB C 123 32.266 32.266 32.992 -0.727 18712 11793 1 19 . 1 1 123 123 VAL H H 123 7.845 7.845 7.420 0.425 18712 11794 1 19 . 1 1 124 124 ASN N N 124 124.609 124.609 120.221 4.388 18712 11795 1 19 . 1 1 124 124 ASN HA H 124 4.877 4.877 4.872 0.005 18712 11796 1 19 . 1 1 124 124 ASN CA C 124 54.765 54.765 53.113 1.652 18712 11797 1 19 . 1 1 124 124 ASN CB C 124 40.000 40.000 40.905 -0.905 18712 11798 1 19 . 1 1 124 124 ASN H H 124 9.206 9.206 8.837 0.369 18712 11799 1 19 . 1 1 125 125 GLN N N 125 117.959 117.959 115.049 2.910 18712 11800 1 19 . 1 1 125 125 GLN HA H 125 5.234 5.234 4.658 0.576 18712 11801 1 19 . 1 1 125 125 GLN CA C 125 56.172 56.172 55.324 0.848 18712 11802 1 19 . 1 1 125 125 GLN CB C 125 33.672 33.672 32.877 0.795 18712 11803 1 19 . 1 1 125 125 GLN H H 125 7.756 7.756 7.566 0.190 18712 11804 1 19 . 1 1 126 126 LEU N N 126 125.559 125.559 122.657 2.902 18712 11805 1 19 . 1 1 126 126 LEU HA H 126 5.261 5.261 5.010 0.251 18712 11806 1 19 . 1 1 126 126 LEU CA C 126 54.765 54.765 54.265 0.500 18712 11807 1 19 . 1 1 126 126 LEU CB C 126 47.734 47.734 45.958 1.776 18712 11808 1 19 . 1 1 126 126 LEU H H 126 8.866 8.866 8.180 0.686 18712 11809 1 19 . 1 1 127 127 VAL N N 127 126.578 126.578 124.856 1.722 18712 11810 1 19 . 1 1 127 127 VAL HA H 127 5.127 5.127 4.627 0.500 18712 11811 1 19 . 1 1 127 127 VAL CA C 127 60.390 60.390 60.650 -0.260 18712 11812 1 19 . 1 1 127 127 VAL CB C 127 35.078 35.078 35.424 -0.346 18712 11813 1 19 . 1 1 127 127 VAL H H 127 9.367 9.367 8.960 0.407 18712 11814 1 19 . 1 1 128 128 ARG N N 128 126.578 126.578 126.215 0.363 18712 11815 1 19 . 1 1 128 128 ARG HA H 128 5.259 5.259 5.205 0.054 18712 11816 1 19 . 1 1 128 128 ARG CA C 128 54.765 54.765 54.546 0.219 18712 11817 1 19 . 1 1 128 128 ARG CB C 128 33.672 33.672 33.929 -0.257 18712 11818 1 19 . 1 1 128 128 ARG H H 128 9.502 9.502 9.003 0.499 18712 11819 1 19 . 1 1 129 129 VAL N N 129 123.977 123.977 121.964 2.013 18712 11820 1 19 . 1 1 129 129 VAL HA H 129 4.489 4.489 4.332 0.157 18712 11821 1 19 . 1 1 129 129 VAL CA C 129 61.093 61.093 61.375 -0.282 18712 11822 1 19 . 1 1 129 129 VAL CB C 129 35.078 35.078 33.264 1.814 18712 11823 1 19 . 1 1 129 129 VAL H H 129 9.051 9.051 8.150 0.901 18712 11824 1 19 . 1 1 130 130 TYR N N 130 124.673 124.673 122.566 2.107 18712 11825 1 19 . 1 1 130 130 TYR HA H 130 5.419 5.419 5.043 0.376 18712 11826 1 19 . 1 1 130 130 TYR CA C 130 56.172 56.172 56.533 -0.361 18712 11827 1 19 . 1 1 130 130 TYR CB C 130 39.297 39.297 40.300 -1.003 18712 11828 1 19 . 1 1 130 130 TYR H H 130 8.650 8.650 8.717 -0.067 18712 11829 1 19 . 1 1 131 131 ILE N N 131 125.227 125.227 124.242 0.985 18712 11830 1 19 . 1 1 131 131 ILE HA H 131 4.869 4.869 4.707 0.162 18712 11831 1 19 . 1 1 131 131 ILE CB C 131 40.000 40.000 41.076 -1.076 18712 11832 1 19 . 1 1 131 131 ILE H H 131 9.509 9.509 8.942 0.567 18712 11833 1 19 . 1 1 132 132 VAL N N 132 126.859 126.859 124.400 2.459 18712 11834 1 19 . 1 1 132 132 VAL HA H 132 4.729 4.729 5.022 -0.293 18712 11835 1 19 . 1 1 132 132 VAL CA C 132 61.093 61.093 60.062 1.031 18712 11836 1 19 . 1 1 132 132 VAL CB C 132 33.672 33.672 33.426 0.246 18712 11837 1 19 . 1 1 132 132 VAL H H 132 9.606 9.606 8.021 1.585 18712 11838 1 19 . 1 1 133 133 GLN N N 133 128.406 128.406 126.726 1.680 18712 11839 1 19 . 1 1 133 133 GLN HA H 133 4.751 4.751 4.621 0.130 18712 11840 1 19 . 1 1 133 133 GLN CA C 133 54.765 54.765 55.087 -0.322 18712 11841 1 19 . 1 1 133 133 GLN CB C 133 31.563 31.563 29.368 2.195 18712 11842 1 19 . 1 1 133 133 GLN H H 133 9.153 9.153 8.270 0.883 18712 11843 1 19 . 1 1 134 134 LYS N N 134 122.929 122.929 124.314 -1.385 18712 11844 1 19 . 1 1 134 134 LYS HA H 134 4.725 4.725 4.084 0.641 18712 11845 1 19 . 1 1 134 134 LYS CA C 134 56.172 56.172 56.469 -0.297 18712 11846 1 19 . 1 1 134 134 LYS CB C 134 33.320 33.320 32.869 0.451 18712 11847 1 19 . 1 1 134 134 LYS H H 134 8.561 8.561 8.412 0.149 18712 11848 1 19 . 1 1 135 135 ARG N N 135 123.484 123.484 121.693 1.791 18712 11849 1 19 . 1 1 135 135 ARG HA H 135 4.503 4.503 4.162 0.341 18712 11850 1 19 . 1 1 135 135 ARG CA C 135 55.468 55.468 56.197 -0.729 18712 11851 1 19 . 1 1 135 135 ARG CB C 135 32.266 32.266 30.384 1.882 18712 11852 1 19 . 1 1 135 135 ARG H H 135 8.596 8.596 8.365 0.231 18712 11853 1 19 . 1 1 136 136 LYS N N 136 123.906 123.906 121.451 2.455 18712 11854 1 19 . 1 1 136 136 LYS HA H 136 4.467 4.467 4.139 0.328 18712 11855 1 19 . 1 1 136 136 LYS CA C 136 56.172 56.172 56.405 -0.233 18712 11856 1 19 . 1 1 136 136 LYS CB C 136 32.969 32.969 32.831 0.138 18712 11857 1 19 . 1 1 136 136 LYS H H 136 8.608 8.608 8.436 0.172 18712 11858 1 19 . 1 1 137 137 ILE N N 137 123.571 123.571 117.577 5.994 18712 11859 1 19 . 1 1 137 137 ILE HA H 137 4.184 4.184 3.975 0.209 18712 11860 1 19 . 1 1 137 137 ILE CA C 137 61.093 61.093 61.659 -0.566 18712 11861 1 19 . 1 1 137 137 ILE CB C 137 38.594 38.594 38.472 0.122 18712 11862 1 19 . 1 1 137 137 ILE H H 137 8.353 8.353 8.122 0.231 18712 11863 1 19 . 1 1 138 138 SER N N 138 119.547 119.547 118.421 1.126 18712 11864 1 19 . 1 1 138 138 SER HA H 138 4.503 4.503 4.476 0.027 18712 11865 1 19 . 1 1 138 138 SER CA C 138 58.281 58.281 58.712 -0.431 18712 11866 1 19 . 1 1 138 138 SER CB C 138 63.906 63.906 62.819 1.087 18712 11867 1 19 . 1 1 138 138 SER H H 138 8.410 8.410 8.278 0.132 18712 11868 1 19 . 1 1 139 139 GLU N N 139 123.281 123.281 125.470 -2.189 18712 11869 1 19 . 1 1 139 139 GLU HA H 139 4.307 4.307 4.606 -0.299 18712 11870 1 19 . 1 1 139 139 GLU CA C 139 56.875 56.875 56.097 0.778 18712 11871 1 19 . 1 1 139 139 GLU CB C 139 30.156 30.156 30.770 -0.614 18712 11872 1 19 . 1 1 139 139 GLU H H 139 8.489 8.489 8.612 -0.123 18712 11873 1 19 . 1 1 140 140 GLY N N 140 109.792 109.792 109.034 0.758 18712 11874 1 19 . 1 1 140 140 GLY CA C 140 45.625 45.625 45.021 0.604 18712 11875 1 19 . 1 1 140 140 GLY H H 140 8.418 8.418 8.699 -0.281 18712 11876 1 20 . 1 1 4 4 VAL N N 4 119.125 119.125 120.373 -1.248 18712 11877 1 20 . 1 1 4 4 VAL HA H 4 4.070 4.070 4.070 -0.000 18712 11878 1 20 . 1 1 4 4 VAL CA C 4 62.500 62.500 61.355 1.145 18712 11879 1 20 . 1 1 4 4 VAL CB C 4 32.969 32.969 32.825 0.144 18712 11880 1 20 . 1 1 4 4 VAL H H 4 7.998 7.998 7.520 0.478 18712 11881 1 20 . 1 1 5 5 TYR N N 5 122.640 122.640 124.825 -2.185 18712 11882 1 20 . 1 1 5 5 TYR HA H 5 4.674 4.674 4.854 -0.180 18712 11883 1 20 . 1 1 5 5 TYR CA C 5 58.281 58.281 56.603 1.677 18712 11884 1 20 . 1 1 5 5 TYR CB C 5 38.594 38.594 40.070 -1.476 18712 11885 1 20 . 1 1 5 5 TYR H H 5 8.305 8.305 8.190 0.115 18712 11886 1 20 . 1 1 6 6 THR N N 6 114.861 114.861 115.649 -0.788 18712 11887 1 20 . 1 1 6 6 THR HA H 6 4.548 4.548 4.278 0.270 18712 11888 1 20 . 1 1 6 6 THR CA C 6 61.796 61.796 61.816 -0.020 18712 11889 1 20 . 1 1 6 6 THR CB C 6 70.234 70.234 69.671 0.563 18712 11890 1 20 . 1 1 6 6 THR H H 6 8.003 8.003 8.480 -0.477 18712 11891 1 20 . 1 1 7 7 SER N N 7 118.140 118.140 115.861 2.279 18712 11892 1 20 . 1 1 7 7 SER HA H 7 4.600 4.600 4.504 0.096 18712 11893 1 20 . 1 1 7 7 SER CA C 7 57.578 57.578 57.474 0.104 18712 11894 1 20 . 1 1 7 7 SER CB C 7 64.609 64.609 64.226 0.383 18712 11895 1 20 . 1 1 7 7 SER H H 7 8.487 8.487 8.256 0.231 18712 11896 1 20 . 1 1 8 8 ILE N N 8 121.375 121.375 121.257 0.118 18712 11897 1 20 . 1 1 8 8 ILE HA H 8 4.627 4.627 4.088 0.539 18712 11898 1 20 . 1 1 8 8 ILE CA C 8 60.390 60.390 60.514 -0.124 18712 11899 1 20 . 1 1 8 8 ILE CB C 8 40.000 40.000 37.613 2.387 18712 11900 1 20 . 1 1 8 8 ILE H H 8 8.139 8.139 8.206 -0.067 18712 11901 1 20 . 1 1 9 9 HIS N N 9 125.734 125.734 122.769 2.965 18712 11902 1 20 . 1 1 9 9 HIS HA H 9 4.768 4.768 4.954 -0.186 18712 11903 1 20 . 1 1 9 9 HIS CB C 9 32.617 32.617 33.684 -1.067 18712 11904 1 20 . 1 1 9 9 HIS H H 9 8.743 8.743 8.648 0.095 18712 11905 1 20 . 1 1 10 10 ILE N N 10 125.875 125.875 120.993 4.882 18712 11906 1 20 . 1 1 10 10 ILE HA H 10 4.806 4.806 4.915 -0.109 18712 11907 1 20 . 1 1 10 10 ILE CB C 10 39.297 39.297 42.318 -3.021 18712 11908 1 20 . 1 1 10 10 ILE H H 10 8.035 8.035 8.631 -0.596 18712 11909 1 20 . 1 1 11 11 GLU N N 11 129.438 129.438 124.661 4.777 18712 11910 1 20 . 1 1 11 11 GLU HA H 11 4.472 4.472 4.424 0.048 18712 11911 1 20 . 1 1 11 11 GLU CA C 11 54.062 54.062 54.899 -0.837 18712 11912 1 20 . 1 1 11 11 GLU CB C 11 32.617 32.617 31.363 1.254 18712 11913 1 20 . 1 1 11 11 GLU H H 11 8.934 8.934 8.884 0.050 18712 11914 1 20 . 1 1 12 12 GLU N N 12 123.983 123.983 120.432 3.551 18712 11915 1 20 . 1 1 12 12 GLU HA H 12 4.752 4.752 4.568 0.184 18712 11916 1 20 . 1 1 12 12 GLU CA C 12 54.062 54.062 55.190 -1.128 18712 11917 1 20 . 1 1 12 12 GLU CB C 12 32.617 32.617 30.628 1.989 18712 11918 1 20 . 1 1 12 12 GLU H H 12 8.192 8.192 8.323 -0.131 18712 11919 1 20 . 1 1 13 13 TYR N N 13 122.826 122.826 125.487 -2.661 18712 11920 1 20 . 1 1 13 13 TYR HA H 13 4.741 4.741 4.690 0.051 18712 11921 1 20 . 1 1 13 13 TYR CB C 13 42.812 42.812 41.729 1.083 18712 11922 1 20 . 1 1 13 13 TYR H H 13 8.926 8.926 8.023 0.903 18712 11923 1 20 . 1 1 14 14 GLU N N 14 119.329 119.329 122.016 -2.687 18712 11924 1 20 . 1 1 14 14 GLU HA H 14 5.647 5.647 4.770 0.877 18712 11925 1 20 . 1 1 14 14 GLU CA C 14 54.765 54.765 55.171 -0.406 18712 11926 1 20 . 1 1 14 14 GLU CB C 14 34.375 34.375 32.789 1.586 18712 11927 1 20 . 1 1 14 14 GLU H H 14 8.716 8.716 8.668 0.048 18712 11928 1 20 . 1 1 15 15 SER N N 15 116.172 116.172 117.955 -1.783 18712 11929 1 20 . 1 1 15 15 SER HA H 15 4.616 4.616 4.787 -0.171 18712 11930 1 20 . 1 1 15 15 SER CA C 15 57.578 57.578 58.407 -0.829 18712 11931 1 20 . 1 1 15 15 SER CB C 15 66.015 66.015 65.134 0.881 18712 11932 1 20 . 1 1 15 15 SER H H 15 8.922 8.922 8.353 0.569 18712 11933 1 20 . 1 1 16 16 GLU N N 16 125.172 125.172 124.928 0.244 18712 11934 1 20 . 1 1 16 16 GLU HA H 16 5.082 5.082 4.933 0.149 18712 11935 1 20 . 1 1 16 16 GLU CA C 16 54.062 54.062 53.955 0.107 18712 11936 1 20 . 1 1 16 16 GLU CB C 16 32.969 32.969 33.863 -0.894 18712 11937 1 20 . 1 1 16 16 GLU H H 16 8.587 8.587 8.302 0.285 18712 11938 1 20 . 1 1 17 17 ALA N N 17 124.890 124.890 126.801 -1.911 18712 11939 1 20 . 1 1 17 17 ALA HA H 17 4.969 4.969 4.351 0.618 18712 11940 1 20 . 1 1 17 17 ALA CA C 17 50.547 50.547 51.882 -1.335 18712 11941 1 20 . 1 1 17 17 ALA CB C 17 19.610 19.610 19.286 0.324 18712 11942 1 20 . 1 1 17 17 ALA H H 17 9.000 9.000 8.244 0.756 18712 11943 1 20 . 1 1 18 18 ARG N N 18 125.376 125.376 124.455 0.921 18712 11944 1 20 . 1 1 18 18 ARG HA H 18 5.175 5.175 5.016 0.159 18712 11945 1 20 . 1 1 18 18 ARG CA C 18 54.765 54.765 54.361 0.404 18712 11946 1 20 . 1 1 18 18 ARG CB C 18 34.375 34.375 31.369 3.006 18712 11947 1 20 . 1 1 18 18 ARG H H 18 9.624 9.624 7.988 1.636 18712 11948 1 20 . 1 1 19 19 ASP N N 19 119.828 119.828 122.953 -3.125 18712 11949 1 20 . 1 1 19 19 ASP HA H 19 4.685 4.685 4.565 0.120 18712 11950 1 20 . 1 1 19 19 ASP CA C 19 55.117 55.117 54.229 0.888 18712 11951 1 20 . 1 1 19 19 ASP CB C 19 41.406 41.406 41.135 0.271 18712 11952 1 20 . 1 1 19 19 ASP H H 19 8.420 8.420 8.193 0.227 18712 11953 1 20 . 1 1 20 20 THR N N 20 112.948 112.948 114.759 -1.811 18712 11954 1 20 . 1 1 20 20 THR HA H 20 4.979 4.979 4.434 0.545 18712 11955 1 20 . 1 1 20 20 THR CA C 20 60.390 60.390 61.500 -1.110 18712 11956 1 20 . 1 1 20 20 THR CB C 20 73.046 73.046 70.559 2.487 18712 11957 1 20 . 1 1 20 20 THR H H 20 7.602 7.602 8.327 -0.725 18712 11958 1 20 . 1 1 21 21 LYS HA H 21 4.146 4.146 4.333 -0.187 18712 11959 1 20 . 1 1 21 21 LYS CA C 21 58.984 58.984 57.956 1.028 18712 11960 1 20 . 1 1 21 21 LYS CB C 21 32.266 32.266 31.732 0.534 18712 11961 1 20 . 1 1 22 22 LEU N N 22 117.346 117.346 120.375 -3.029 18712 11962 1 20 . 1 1 22 22 LEU HA H 22 4.532 4.532 4.492 0.040 18712 11963 1 20 . 1 1 22 22 LEU CA C 22 54.062 54.062 54.503 -0.441 18712 11964 1 20 . 1 1 22 22 LEU CB C 22 42.812 42.812 41.564 1.248 18712 11965 1 20 . 1 1 22 22 LEU H H 22 7.848 7.848 7.404 0.444 18712 11966 1 20 . 1 1 23 23 GLY N N 23 108.437 108.437 109.705 -1.268 18712 11967 1 20 . 1 1 23 23 GLY CA C 23 43.516 43.516 44.375 -0.859 18712 11968 1 20 . 1 1 23 23 GLY H H 23 7.407 7.407 7.403 0.004 18712 11969 1 20 . 1 1 24 24 PRO HA H 24 4.894 4.894 4.604 0.290 18712 11970 1 20 . 1 1 24 24 PRO CA C 24 63.906 63.906 62.391 1.515 18712 11971 1 20 . 1 1 24 24 PRO CB C 24 31.563 31.563 33.379 -1.816 18712 11972 1 20 . 1 1 25 25 GLU N N 25 118.281 118.281 118.510 -0.229 18712 11973 1 20 . 1 1 25 25 GLU HA H 25 4.621 4.621 4.392 0.229 18712 11974 1 20 . 1 1 25 25 GLU CA C 25 56.523 56.523 57.274 -0.751 18712 11975 1 20 . 1 1 25 25 GLU CB C 25 32.266 32.266 31.360 0.906 18712 11976 1 20 . 1 1 25 25 GLU H H 25 8.341 8.341 8.989 -0.648 18712 11977 1 20 . 1 1 26 26 GLU N N 26 119.406 119.406 119.083 0.323 18712 11978 1 20 . 1 1 26 26 GLU HA H 26 4.710 4.710 4.472 0.238 18712 11979 1 20 . 1 1 26 26 GLU CA C 26 54.765 54.765 55.816 -1.051 18712 11980 1 20 . 1 1 26 26 GLU CB C 26 33.672 33.672 30.608 3.064 18712 11981 1 20 . 1 1 26 26 GLU H H 26 8.336 8.336 7.854 0.482 18712 11982 1 20 . 1 1 27 27 ILE N N 27 127.472 127.472 122.255 5.217 18712 11983 1 20 . 1 1 27 27 ILE HA H 27 5.009 5.009 4.142 0.867 18712 11984 1 20 . 1 1 27 27 ILE CA C 27 60.390 60.390 62.039 -1.649 18712 11985 1 20 . 1 1 27 27 ILE CB C 27 37.187 37.187 38.489 -1.302 18712 11986 1 20 . 1 1 27 27 ILE H H 27 8.405 8.405 8.487 -0.082 18712 11987 1 20 . 1 1 28 28 THR N N 28 124.387 124.387 121.547 2.840 18712 11988 1 20 . 1 1 28 28 THR HA H 28 4.492 4.492 4.625 -0.133 18712 11989 1 20 . 1 1 28 28 THR CA C 28 59.687 59.687 60.706 -1.019 18712 11990 1 20 . 1 1 28 28 THR CB C 28 68.125 68.125 71.014 -2.889 18712 11991 1 20 . 1 1 28 28 THR H H 28 8.191 8.191 8.369 -0.178 18712 11992 1 20 . 1 1 29 29 ARG N N 29 120.568 120.568 120.687 -0.119 18712 11993 1 20 . 1 1 29 29 ARG HA H 29 4.202 4.202 4.697 -0.495 18712 11994 1 20 . 1 1 29 29 ARG CA C 29 55.468 55.468 54.886 0.581 18712 11995 1 20 . 1 1 29 29 ARG CB C 29 32.266 32.266 31.419 0.846 18712 11996 1 20 . 1 1 29 29 ARG H H 29 7.995 7.995 8.374 -0.379 18712 11997 1 20 . 1 1 30 30 ASP N N 30 123.906 123.906 123.566 0.340 18712 11998 1 20 . 1 1 30 30 ASP HA H 30 4.619 4.619 4.695 -0.076 18712 11999 1 20 . 1 1 30 30 ASP CA C 30 53.359 53.359 53.791 -0.432 18712 12000 1 20 . 1 1 30 30 ASP CB C 30 38.594 38.594 42.230 -3.636 18712 12001 1 20 . 1 1 30 30 ASP H H 30 8.784 8.784 8.628 0.156 18712 12002 1 20 . 1 1 31 31 ILE N N 31 123.422 123.422 123.295 0.127 18712 12003 1 20 . 1 1 31 31 ILE HA H 31 4.063 4.063 4.462 -0.399 18712 12004 1 20 . 1 1 31 31 ILE CA C 31 57.578 57.578 56.649 0.929 18712 12005 1 20 . 1 1 31 31 ILE CB C 31 40.703 40.703 37.413 3.290 18712 12006 1 20 . 1 1 31 31 ILE H H 31 7.404 7.404 8.109 -0.705 18712 12007 1 20 . 1 1 32 32 PRO HA H 32 4.273 4.273 4.528 -0.255 18712 12008 1 20 . 1 1 32 32 PRO CA C 32 63.554 63.554 62.715 0.839 18712 12009 1 20 . 1 1 32 32 PRO CB C 32 32.266 32.266 32.622 -0.356 18712 12010 1 20 . 1 1 33 33 ASN N N 33 114.027 114.027 113.426 0.601 18712 12011 1 20 . 1 1 33 33 ASN HA H 33 4.269 4.269 4.360 -0.091 18712 12012 1 20 . 1 1 33 33 ASN CA C 33 55.117 55.117 53.773 1.344 18712 12013 1 20 . 1 1 33 33 ASN CB C 33 37.891 37.891 36.799 1.092 18712 12014 1 20 . 1 1 33 33 ASN H H 33 8.880 8.880 8.562 0.319 18712 12015 1 20 . 1 1 34 34 VAL N N 34 117.111 117.111 118.682 -1.571 18712 12016 1 20 . 1 1 34 34 VAL HA H 34 4.249 4.249 4.258 -0.009 18712 12017 1 20 . 1 1 34 34 VAL CA C 34 62.148 62.148 61.211 0.937 18712 12018 1 20 . 1 1 34 34 VAL CB C 34 33.672 33.672 33.536 0.136 18712 12019 1 20 . 1 1 34 34 VAL H H 34 7.328 7.328 7.603 -0.275 18712 12020 1 20 . 1 1 35 35 GLY N N 35 113.600 113.600 111.167 2.433 18712 12021 1 20 . 1 1 35 35 GLY CA C 35 44.219 44.219 44.397 -0.178 18712 12022 1 20 . 1 1 35 35 GLY H H 35 8.653 8.653 8.410 0.243 18712 12023 1 20 . 1 1 36 36 GLU N N 36 118.562 118.562 122.756 -4.194 18712 12024 1 20 . 1 1 36 36 GLU HA H 36 3.888 3.888 3.966 -0.078 18712 12025 1 20 . 1 1 36 36 GLU CA C 36 59.687 59.687 59.354 0.333 18712 12026 1 20 . 1 1 36 36 GLU CB C 36 29.453 29.453 29.710 -0.257 18712 12027 1 20 . 1 1 36 36 GLU H H 36 8.457 8.457 8.896 -0.439 18712 12028 1 20 . 1 1 37 37 ASP N N 37 118.140 118.140 119.382 -1.242 18712 12029 1 20 . 1 1 37 37 ASP HA H 37 4.335 4.335 4.496 -0.161 18712 12030 1 20 . 1 1 37 37 ASP CA C 37 56.875 56.875 56.748 0.126 18712 12031 1 20 . 1 1 37 37 ASP CB C 37 40.000 40.000 40.247 -0.247 18712 12032 1 20 . 1 1 37 37 ASP H H 37 8.728 8.728 8.611 0.117 18712 12033 1 20 . 1 1 38 38 ALA N N 38 120.752 120.752 120.470 0.282 18712 12034 1 20 . 1 1 38 38 ALA HA H 38 4.288 4.288 4.208 0.080 18712 12035 1 20 . 1 1 38 38 ALA CA C 38 53.359 53.359 54.167 -0.808 18712 12036 1 20 . 1 1 38 38 ALA CB C 38 18.555 18.555 18.957 -0.402 18712 12037 1 20 . 1 1 38 38 ALA H H 38 7.642 7.642 7.592 0.050 18712 12038 1 20 . 1 1 39 39 LEU N N 39 117.015 117.015 111.721 5.294 18712 12039 1 20 . 1 1 39 39 LEU HA H 39 4.295 4.295 4.753 -0.458 18712 12040 1 20 . 1 1 39 39 LEU CA C 39 54.765 54.765 53.923 0.842 18712 12041 1 20 . 1 1 39 39 LEU CB C 39 43.164 43.164 41.714 1.450 18712 12042 1 20 . 1 1 39 39 LEU H H 39 7.446 7.446 7.143 0.303 18712 12043 1 20 . 1 1 40 40 ARG N N 40 118.017 118.017 119.092 -1.075 18712 12044 1 20 . 1 1 40 40 ARG HA H 40 4.064 4.064 4.125 -0.061 18712 12045 1 20 . 1 1 40 40 ARG CA C 40 59.687 59.687 58.211 1.476 18712 12046 1 20 . 1 1 40 40 ARG CB C 40 30.508 30.508 30.312 0.195 18712 12047 1 20 . 1 1 40 40 ARG H H 40 7.079 7.079 7.660 -0.581 18712 12048 1 20 . 1 1 41 41 ASN N N 41 115.439 115.439 116.469 -1.030 18712 12049 1 20 . 1 1 41 41 ASN HA H 41 4.996 4.996 4.724 0.272 18712 12050 1 20 . 1 1 41 41 ASN CA C 41 53.359 53.359 52.844 0.515 18712 12051 1 20 . 1 1 41 41 ASN CB C 41 39.297 39.297 39.111 0.186 18712 12052 1 20 . 1 1 41 41 ASN H H 41 9.057 9.057 8.361 0.696 18712 12053 1 20 . 1 1 42 42 LEU N N 42 118.703 118.703 121.828 -3.125 18712 12054 1 20 . 1 1 42 42 LEU HA H 42 4.403 4.403 4.180 0.223 18712 12055 1 20 . 1 1 42 42 LEU CA C 42 54.062 54.062 56.296 -2.234 18712 12056 1 20 . 1 1 42 42 LEU CB C 42 42.812 42.812 42.361 0.451 18712 12057 1 20 . 1 1 42 42 LEU H H 42 7.719 7.719 7.947 -0.228 18712 12058 1 20 . 1 1 43 43 ASP N N 43 122.791 122.791 125.265 -2.474 18712 12059 1 20 . 1 1 43 43 ASP HA H 43 4.481 4.481 4.762 -0.281 18712 12060 1 20 . 1 1 43 43 ASP CA C 43 52.656 52.656 53.155 -0.499 18712 12061 1 20 . 1 1 43 43 ASP CB C 43 39.648 39.648 43.318 -3.670 18712 12062 1 20 . 1 1 43 43 ASP H H 43 8.933 8.933 7.987 0.946 18712 12063 1 20 . 1 1 44 44 ASP N N 44 114.917 114.917 119.510 -4.593 18712 12064 1 20 . 1 1 44 44 ASP HA H 44 4.278 4.278 4.449 -0.171 18712 12065 1 20 . 1 1 44 44 ASP CA C 44 56.875 56.875 56.211 0.664 18712 12066 1 20 . 1 1 44 44 ASP CB C 44 40.000 40.000 40.569 -0.569 18712 12067 1 20 . 1 1 44 44 ASP H H 44 8.281 8.281 8.761 -0.480 18712 12068 1 20 . 1 1 45 45 ARG N N 45 118.140 118.140 116.370 1.770 18712 12069 1 20 . 1 1 45 45 ARG HA H 45 4.366 4.366 4.317 0.049 18712 12070 1 20 . 1 1 45 45 ARG CA C 45 55.117 55.117 56.252 -1.135 18712 12071 1 20 . 1 1 45 45 ARG CB C 45 30.859 30.859 30.169 0.690 18712 12072 1 20 . 1 1 45 45 ARG H H 45 8.500 8.500 8.228 0.272 18712 12073 1 20 . 1 1 46 46 GLY N N 46 101.828 101.828 107.350 -5.522 18712 12074 1 20 . 1 1 46 46 GLY CA C 46 45.273 45.273 44.996 0.277 18712 12075 1 20 . 1 1 46 46 GLY H H 46 7.680 7.680 7.897 -0.217 18712 12076 1 20 . 1 1 47 47 VAL N N 47 119.955 119.955 119.493 0.462 18712 12077 1 20 . 1 1 47 47 VAL HA H 47 4.406 4.406 4.337 0.069 18712 12078 1 20 . 1 1 47 47 VAL CA C 47 61.796 61.796 59.670 2.126 18712 12079 1 20 . 1 1 47 47 VAL CB C 47 33.672 33.672 33.188 0.484 18712 12080 1 20 . 1 1 47 47 VAL H H 47 8.007 8.007 7.355 0.652 18712 12081 1 20 . 1 1 48 48 ILE N N 48 128.406 128.406 126.430 1.976 18712 12082 1 20 . 1 1 48 48 ILE HA H 48 4.202 4.202 3.964 0.238 18712 12083 1 20 . 1 1 48 48 ILE CA C 48 59.687 59.687 60.971 -1.284 18712 12084 1 20 . 1 1 48 48 ILE CB C 48 38.945 38.945 36.368 2.577 18712 12085 1 20 . 1 1 48 48 ILE H H 48 8.145 8.145 8.229 -0.084 18712 12086 1 20 . 1 1 49 49 ARG N N 49 123.765 123.765 126.423 -2.658 18712 12087 1 20 . 1 1 49 49 ARG HA H 49 4.328 4.328 4.250 0.078 18712 12088 1 20 . 1 1 49 49 ARG CA C 49 56.875 56.875 56.102 0.773 18712 12089 1 20 . 1 1 49 49 ARG CB C 49 31.563 31.563 31.477 0.086 18712 12090 1 20 . 1 1 49 49 ARG H H 49 7.447 7.447 8.189 -0.742 18712 12091 1 20 . 1 1 50 50 ILE N N 50 121.094 121.094 120.618 0.476 18712 12092 1 20 . 1 1 50 50 ILE HA H 50 3.414 3.414 3.731 -0.317 18712 12093 1 20 . 1 1 50 50 ILE CA C 50 64.609 64.609 61.651 2.958 18712 12094 1 20 . 1 1 50 50 ILE H H 50 8.284 8.284 8.182 0.102 18712 12095 1 20 . 1 1 51 51 GLY N N 51 115.791 115.791 113.218 2.573 18712 12096 1 20 . 1 1 51 51 GLY CA C 51 44.922 44.922 45.187 -0.265 18712 12097 1 20 . 1 1 51 51 GLY H H 51 8.679 8.679 8.883 -0.204 18712 12098 1 20 . 1 1 52 52 ALA N N 52 122.065 122.065 122.936 -0.871 18712 12099 1 20 . 1 1 52 52 ALA HA H 52 4.246 4.246 4.590 -0.344 18712 12100 1 20 . 1 1 52 52 ALA CA C 52 52.656 52.656 50.761 1.895 18712 12101 1 20 . 1 1 52 52 ALA CB C 52 18.906 18.906 20.401 -1.495 18712 12102 1 20 . 1 1 52 52 ALA H H 52 7.496 7.496 7.539 -0.043 18712 12103 1 20 . 1 1 53 53 GLU N N 53 121.468 121.468 122.485 -1.017 18712 12104 1 20 . 1 1 53 53 GLU HA H 53 4.892 4.892 4.192 0.700 18712 12105 1 20 . 1 1 53 53 GLU CB C 53 30.508 30.508 30.413 0.095 18712 12106 1 20 . 1 1 53 53 GLU H H 53 8.427 8.427 8.589 -0.162 18712 12107 1 20 . 1 1 54 54 VAL N N 54 117.437 117.437 124.890 -7.453 18712 12108 1 20 . 1 1 54 54 VAL HA H 54 4.979 4.979 4.124 0.855 18712 12109 1 20 . 1 1 54 54 VAL CA C 54 58.632 58.632 60.796 -2.164 18712 12110 1 20 . 1 1 54 54 VAL CB C 54 35.781 35.781 33.094 2.687 18712 12111 1 20 . 1 1 54 54 VAL H H 54 9.002 9.002 8.085 0.917 18712 12112 1 20 . 1 1 55 55 LYS N N 55 123.906 123.906 123.659 0.247 18712 12113 1 20 . 1 1 55 55 LYS HA H 55 4.698 4.698 4.579 0.119 18712 12114 1 20 . 1 1 55 55 LYS CA C 55 53.359 53.359 54.631 -1.272 18712 12115 1 20 . 1 1 55 55 LYS CB C 55 35.781 35.781 34.822 0.959 18712 12116 1 20 . 1 1 55 55 LYS H H 55 9.244 9.244 7.847 1.397 18712 12117 1 20 . 1 1 56 56 ASP N N 56 118.562 118.562 121.012 -2.450 18712 12118 1 20 . 1 1 56 56 ASP HA H 56 3.764 3.764 4.455 -0.691 18712 12119 1 20 . 1 1 56 56 ASP CA C 56 56.172 56.172 54.853 1.319 18712 12120 1 20 . 1 1 56 56 ASP CB C 56 40.000 40.000 40.183 -0.183 18712 12121 1 20 . 1 1 56 56 ASP H H 56 8.176 8.176 8.566 -0.390 18712 12122 1 20 . 1 1 57 57 GLY N N 57 112.515 112.515 110.460 2.055 18712 12123 1 20 . 1 1 57 57 GLY CA C 57 45.625 45.625 45.304 0.321 18712 12124 1 20 . 1 1 57 57 GLY H H 57 8.841 8.841 8.847 -0.006 18712 12125 1 20 . 1 1 58 58 ASP N N 58 121.375 121.375 122.576 -1.201 18712 12126 1 20 . 1 1 58 58 ASP HA H 58 4.532 4.532 4.953 -0.421 18712 12127 1 20 . 1 1 58 58 ASP CA C 58 54.765 54.765 52.734 2.031 18712 12128 1 20 . 1 1 58 58 ASP CB C 58 41.055 41.055 39.950 1.105 18712 12129 1 20 . 1 1 58 58 ASP H H 58 8.209 8.209 7.774 0.435 18712 12130 1 20 . 1 1 59 59 LEU N N 59 119.828 119.828 121.684 -1.856 18712 12131 1 20 . 1 1 59 59 LEU HA H 59 3.976 3.976 4.143 -0.167 18712 12132 1 20 . 1 1 59 59 LEU CA C 59 56.875 56.875 55.472 1.403 18712 12133 1 20 . 1 1 59 59 LEU CB C 59 44.219 44.219 42.597 1.621 18712 12134 1 20 . 1 1 59 59 LEU H H 59 8.570 8.570 7.992 0.578 18712 12135 1 20 . 1 1 60 60 LEU N N 60 116.594 116.594 113.103 3.491 18712 12136 1 20 . 1 1 60 60 LEU HA H 60 4.518 4.518 3.976 0.542 18712 12137 1 20 . 1 1 60 60 LEU CB C 60 44.922 44.922 40.184 4.738 18712 12138 1 20 . 1 1 60 60 LEU H H 60 8.816 8.816 7.857 0.959 18712 12139 1 20 . 1 1 61 61 VAL N N 61 115.656 115.656 117.432 -1.776 18712 12140 1 20 . 1 1 61 61 VAL HA H 61 4.618 4.618 4.209 0.409 18712 12141 1 20 . 1 1 61 61 VAL CA C 61 61.093 61.093 61.099 -0.006 18712 12142 1 20 . 1 1 61 61 VAL CB C 61 36.484 36.484 35.374 1.109 18712 12143 1 20 . 1 1 61 61 VAL H H 61 7.322 7.322 7.419 -0.097 18712 12144 1 20 . 1 1 62 62 GLY N N 62 117.191 117.191 113.124 4.067 18712 12145 1 20 . 1 1 62 62 GLY CA C 62 45.625 45.625 44.538 1.087 18712 12146 1 20 . 1 1 62 62 GLY H H 62 9.563 9.563 8.478 1.085 18712 12147 1 20 . 1 1 63 63 LYS N N 63 127.584 127.584 127.917 -0.333 18712 12148 1 20 . 1 1 63 63 LYS HA H 63 5.328 5.328 4.674 0.654 18712 12149 1 20 . 1 1 63 63 LYS CA C 63 56.172 56.172 55.512 0.660 18712 12150 1 20 . 1 1 63 63 LYS CB C 63 35.078 35.078 35.165 -0.087 18712 12151 1 20 . 1 1 63 63 LYS H H 63 8.712 8.712 8.550 0.162 18712 12152 1 20 . 1 1 64 64 VAL N N 64 114.383 114.383 122.338 -7.955 18712 12153 1 20 . 1 1 64 64 VAL HA H 64 5.523 5.523 5.124 0.399 18712 12154 1 20 . 1 1 64 64 VAL CA C 64 57.578 57.578 60.385 -2.807 18712 12155 1 20 . 1 1 64 64 VAL CB C 64 35.781 35.781 34.522 1.259 18712 12156 1 20 . 1 1 64 64 VAL H H 64 8.481 8.481 7.904 0.577 18712 12157 1 20 . 1 1 65 65 THR N N 65 118.431 118.431 116.713 1.718 18712 12158 1 20 . 1 1 65 65 THR HA H 65 4.602 4.602 4.920 -0.318 18712 12159 1 20 . 1 1 65 65 THR CA C 65 59.687 59.687 58.741 0.946 18712 12160 1 20 . 1 1 65 65 THR CB C 65 72.343 72.343 69.099 3.244 18712 12161 1 20 . 1 1 65 65 THR H H 65 8.637 8.637 8.048 0.589 18712 12162 1 20 . 1 1 66 66 PRO HA H 66 4.557 4.557 4.476 0.081 18712 12163 1 20 . 1 1 66 66 PRO CA C 66 63.906 63.906 62.791 1.115 18712 12164 1 20 . 1 1 66 66 PRO CB C 66 32.969 32.969 32.547 0.422 18712 12165 1 20 . 1 1 67 67 LYS N N 67 122.359 122.359 120.581 1.778 18712 12166 1 20 . 1 1 67 67 LYS HA H 67 4.391 4.391 4.582 -0.191 18712 12167 1 20 . 1 1 67 67 LYS CA C 67 56.172 56.172 55.041 1.131 18712 12168 1 20 . 1 1 67 67 LYS CB C 67 35.078 35.078 35.144 -0.066 18712 12169 1 20 . 1 1 67 67 LYS H H 67 8.371 8.371 7.883 0.488 18712 12170 1 20 . 1 1 68 68 GLY N N 68 109.563 109.563 107.377 2.186 18712 12171 1 20 . 1 1 68 68 GLY CA C 68 44.922 44.922 44.023 0.899 18712 12172 1 20 . 1 1 68 68 GLY H H 68 8.583 8.583 8.159 0.424 18712 12173 1 20 . 1 1 69 69 VAL N N 69 118.378 118.378 114.719 3.659 18712 12174 1 20 . 1 1 69 69 VAL HA H 69 4.032 4.032 4.167 -0.135 18712 12175 1 20 . 1 1 69 69 VAL CA C 69 63.203 63.203 64.655 -1.452 18712 12176 1 20 . 1 1 69 69 VAL CB C 69 32.266 32.266 31.998 0.268 18712 12177 1 20 . 1 1 69 69 VAL H H 69 8.235 8.235 8.371 -0.136 18712 12178 1 20 . 1 1 70 70 THR N N 70 114.484 114.484 111.860 2.624 18712 12179 1 20 . 1 1 70 70 THR HA H 70 4.281 4.281 4.427 -0.146 18712 12180 1 20 . 1 1 70 70 THR CA C 70 62.500 62.500 61.887 0.613 18712 12181 1 20 . 1 1 70 70 THR CB C 70 69.531 69.531 68.512 1.019 18712 12182 1 20 . 1 1 70 70 THR H H 70 8.085 8.085 7.848 0.237 18712 12183 1 20 . 1 1 71 71 GLU N N 71 121.656 121.656 121.007 0.649 18712 12184 1 20 . 1 1 71 71 GLU HA H 71 4.325 4.325 4.419 -0.094 18712 12185 1 20 . 1 1 71 71 GLU CA C 71 56.172 56.172 56.653 -0.480 18712 12186 1 20 . 1 1 71 71 GLU CB C 71 30.859 30.859 30.115 0.744 18712 12187 1 20 . 1 1 71 71 GLU H H 71 8.175 8.175 8.075 0.100 18712 12188 1 20 . 1 1 72 72 LEU N N 72 122.219 122.219 120.537 1.682 18712 12189 1 20 . 1 1 72 72 LEU HA H 72 4.534 4.534 4.167 0.367 18712 12190 1 20 . 1 1 72 72 LEU CA C 72 54.765 54.765 56.310 -1.545 18712 12191 1 20 . 1 1 72 72 LEU CB C 72 42.812 42.812 42.404 0.408 18712 12192 1 20 . 1 1 72 72 LEU H H 72 7.770 7.770 7.799 -0.029 18712 12193 1 20 . 1 1 73 73 THR N N 73 114.407 114.407 113.079 1.328 18712 12194 1 20 . 1 1 73 73 THR HA H 73 4.405 4.405 4.439 -0.034 18712 12195 1 20 . 1 1 73 73 THR CA C 73 61.093 61.093 60.585 0.508 18712 12196 1 20 . 1 1 73 73 THR CB C 73 70.937 70.937 70.821 0.116 18712 12197 1 20 . 1 1 73 73 THR H H 73 8.869 8.869 7.856 1.013 18712 12198 1 20 . 1 1 74 74 ALA N N 74 123.782 123.782 122.776 1.006 18712 12199 1 20 . 1 1 74 74 ALA HA H 74 4.026 4.026 4.205 -0.179 18712 12200 1 20 . 1 1 74 74 ALA CA C 74 55.468 55.468 54.721 0.746 18712 12201 1 20 . 1 1 74 74 ALA CB C 74 18.203 18.203 18.692 -0.489 18712 12202 1 20 . 1 1 74 74 ALA H H 74 8.831 8.831 8.721 0.110 18712 12203 1 20 . 1 1 75 75 GLU N N 75 117.578 117.578 118.405 -0.827 18712 12204 1 20 . 1 1 75 75 GLU HA H 75 4.043 4.043 4.018 0.025 18712 12205 1 20 . 1 1 75 75 GLU CA C 75 59.687 59.687 59.283 0.404 18712 12206 1 20 . 1 1 75 75 GLU CB C 75 29.453 29.453 29.349 0.104 18712 12207 1 20 . 1 1 75 75 GLU H H 75 8.637 8.637 8.016 0.621 18712 12208 1 20 . 1 1 76 76 GLU N N 76 120.042 120.042 118.462 1.580 18712 12209 1 20 . 1 1 76 76 GLU HA H 76 4.010 4.010 4.164 -0.154 18712 12210 1 20 . 1 1 76 76 GLU CA C 76 58.281 58.281 58.321 -0.040 18712 12211 1 20 . 1 1 76 76 GLU CB C 76 30.859 30.859 29.052 1.807 18712 12212 1 20 . 1 1 76 76 GLU H H 76 7.847 7.847 7.593 0.254 18712 12213 1 20 . 1 1 77 77 ARG N N 77 119.687 119.687 118.557 1.130 18712 12214 1 20 . 1 1 77 77 ARG HA H 77 3.975 3.975 4.013 -0.038 18712 12215 1 20 . 1 1 77 77 ARG CA C 77 58.984 58.984 59.389 -0.405 18712 12216 1 20 . 1 1 77 77 ARG CB C 77 30.156 30.156 30.292 -0.136 18712 12217 1 20 . 1 1 77 77 ARG H H 77 8.452 8.452 7.393 1.059 18712 12218 1 20 . 1 1 78 78 LEU N N 78 120.250 120.250 116.385 3.865 18712 12219 1 20 . 1 1 78 78 LEU HA H 78 4.210 4.210 4.423 -0.213 18712 12220 1 20 . 1 1 78 78 LEU CA C 78 56.875 56.875 57.096 -0.221 18712 12221 1 20 . 1 1 78 78 LEU CB C 78 42.109 42.109 41.753 0.356 18712 12222 1 20 . 1 1 78 78 LEU H H 78 7.685 7.685 7.474 0.211 18712 12223 1 20 . 1 1 79 79 LEU N N 79 119.265 119.265 121.205 -1.940 18712 12224 1 20 . 1 1 79 79 LEU HA H 79 4.208 4.208 4.019 0.189 18712 12225 1 20 . 1 1 79 79 LEU CA C 79 56.875 56.875 57.636 -0.761 18712 12226 1 20 . 1 1 79 79 LEU CB C 79 42.109 42.109 41.462 0.648 18712 12227 1 20 . 1 1 79 79 LEU H H 79 7.679 7.679 7.811 -0.132 18712 12228 1 20 . 1 1 80 80 HIS N N 80 118.348 118.348 119.605 -1.257 18712 12229 1 20 . 1 1 80 80 HIS HA H 80 4.422 4.422 4.243 0.179 18712 12230 1 20 . 1 1 80 80 HIS CA C 80 57.578 57.578 59.897 -2.319 18712 12231 1 20 . 1 1 80 80 HIS CB C 80 30.156 30.156 29.581 0.575 18712 12232 1 20 . 1 1 80 80 HIS H H 80 8.127 8.127 7.960 0.167 18712 12233 1 20 . 1 1 81 81 ALA N N 81 122.359 122.359 121.217 1.142 18712 12234 1 20 . 1 1 81 81 ALA HA H 81 4.204 4.204 4.132 0.072 18712 12235 1 20 . 1 1 81 81 ALA CA C 81 54.062 54.062 54.536 -0.474 18712 12236 1 20 . 1 1 81 81 ALA CB C 81 18.906 18.906 18.170 0.736 18712 12237 1 20 . 1 1 81 81 ALA H H 81 7.908 7.908 7.865 0.043 18712 12238 1 20 . 1 1 82 82 ILE N N 82 117.705 117.705 117.867 -0.162 18712 12239 1 20 . 1 1 82 82 ILE HA H 82 3.972 3.972 3.883 0.089 18712 12240 1 20 . 1 1 82 82 ILE CA C 82 62.500 62.500 62.700 -0.200 18712 12241 1 20 . 1 1 82 82 ILE CB C 82 38.594 38.594 37.325 1.269 18712 12242 1 20 . 1 1 82 82 ILE H H 82 7.780 7.780 7.171 0.609 18712 12243 1 20 . 1 1 83 83 PHE N N 83 120.528 120.528 118.921 1.607 18712 12244 1 20 . 1 1 83 83 PHE HA H 83 4.633 4.633 4.305 0.328 18712 12245 1 20 . 1 1 83 83 PHE CA C 83 58.281 58.281 59.493 -1.212 18712 12246 1 20 . 1 1 83 83 PHE CB C 83 40.000 40.000 40.003 -0.003 18712 12247 1 20 . 1 1 83 83 PHE H H 83 8.227 8.227 8.191 0.036 18712 12248 1 20 . 1 1 84 84 GLY N N 84 110.328 110.328 107.013 3.315 18712 12249 1 20 . 1 1 84 84 GLY CA C 84 45.625 45.625 45.154 0.471 18712 12250 1 20 . 1 1 84 84 GLY H H 84 8.157 8.157 8.058 0.099 18712 12251 1 20 . 1 1 85 85 GLU N N 85 120.975 120.975 115.320 5.655 18712 12252 1 20 . 1 1 85 85 GLU HA H 85 4.234 4.234 4.344 -0.110 18712 12253 1 20 . 1 1 85 85 GLU CA C 85 57.226 57.226 54.617 2.609 18712 12254 1 20 . 1 1 85 85 GLU CB C 85 30.156 30.156 31.391 -1.235 18712 12255 1 20 . 1 1 85 85 GLU H H 85 8.374 8.374 7.525 0.849 18712 12256 1 20 . 1 1 86 86 LYS N N 86 121.202 121.202 119.838 1.364 18712 12257 1 20 . 1 1 86 86 LYS HA H 86 4.291 4.291 4.638 -0.347 18712 12258 1 20 . 1 1 86 86 LYS CA C 86 56.172 56.172 56.161 0.011 18712 12259 1 20 . 1 1 86 86 LYS CB C 86 32.969 32.969 32.952 0.018 18712 12260 1 20 . 1 1 86 86 LYS H H 86 8.230 8.230 8.370 -0.140 18712 12261 1 20 . 1 1 87 87 ALA N N 87 124.596 124.596 126.251 -1.655 18712 12262 1 20 . 1 1 87 87 ALA HA H 87 4.236 4.236 4.530 -0.294 18712 12263 1 20 . 1 1 87 87 ALA CA C 87 52.656 52.656 51.429 1.227 18712 12264 1 20 . 1 1 87 87 ALA CB C 87 19.610 19.610 20.737 -1.127 18712 12265 1 20 . 1 1 87 87 ALA H H 87 8.179 8.179 8.260 -0.081 18712 12266 1 20 . 1 1 88 88 ARG N N 88 120.688 120.688 122.162 -1.474 18712 12267 1 20 . 1 1 88 88 ARG HA H 88 4.344 4.344 4.412 -0.068 18712 12268 1 20 . 1 1 88 88 ARG CA C 88 56.172 56.172 55.654 0.519 18712 12269 1 20 . 1 1 88 88 ARG CB C 88 30.859 30.859 30.924 -0.065 18712 12270 1 20 . 1 1 88 88 ARG H H 88 8.274 8.274 8.375 -0.101 18712 12271 1 20 . 1 1 89 89 GLU N N 89 124.469 124.469 122.305 2.164 18712 12272 1 20 . 1 1 89 89 GLU HA H 89 4.575 4.575 4.610 -0.035 18712 12273 1 20 . 1 1 89 89 GLU CA C 89 55.468 55.468 55.417 0.051 18712 12274 1 20 . 1 1 89 89 GLU CB C 89 30.156 30.156 31.520 -1.364 18712 12275 1 20 . 1 1 89 89 GLU H H 89 8.632 8.632 8.498 0.134 18712 12276 1 20 . 1 1 90 90 VAL N N 90 114.440 114.440 117.031 -2.591 18712 12277 1 20 . 1 1 90 90 VAL HA H 90 5.047 5.047 4.489 0.558 18712 12278 1 20 . 1 1 90 90 VAL CA C 90 58.984 58.984 59.645 -0.661 18712 12279 1 20 . 1 1 90 90 VAL CB C 90 36.484 36.484 34.476 2.008 18712 12280 1 20 . 1 1 90 90 VAL H H 90 8.246 8.246 8.392 -0.146 18712 12281 1 20 . 1 1 91 91 ARG N N 91 118.602 118.602 120.563 -1.961 18712 12282 1 20 . 1 1 91 91 ARG HA H 91 4.771 4.771 4.608 0.163 18712 12283 1 20 . 1 1 91 91 ARG CB C 91 33.672 33.672 32.908 0.764 18712 12284 1 20 . 1 1 91 91 ARG H H 91 9.062 9.062 8.287 0.774 18712 12285 1 20 . 1 1 92 92 ASP N N 92 121.656 121.656 123.565 -1.909 18712 12286 1 20 . 1 1 92 92 ASP HA H 92 4.754 4.754 4.709 0.045 18712 12287 1 20 . 1 1 92 92 ASP CB C 92 41.406 41.406 39.936 1.470 18712 12288 1 20 . 1 1 92 92 ASP H H 92 8.770 8.770 8.666 0.104 18712 12289 1 20 . 1 1 93 93 THR N N 93 124.654 124.654 112.437 12.217 18712 12290 1 20 . 1 1 93 93 THR HA H 93 4.586 4.586 4.398 0.188 18712 12291 1 20 . 1 1 93 93 THR CA C 93 60.390 60.390 61.447 -1.056 18712 12292 1 20 . 1 1 93 93 THR CB C 93 66.718 66.718 69.388 -2.670 18712 12293 1 20 . 1 1 93 93 THR H H 93 9.253 9.253 8.071 1.182 18712 12294 1 20 . 1 1 94 94 SER N N 94 117.437 117.437 116.711 0.726 18712 12295 1 20 . 1 1 94 94 SER HA H 94 4.455 4.455 4.507 -0.052 18712 12296 1 20 . 1 1 94 94 SER CA C 94 60.390 60.390 58.907 1.483 18712 12297 1 20 . 1 1 94 94 SER CB C 94 63.906 63.906 64.158 -0.252 18712 12298 1 20 . 1 1 94 94 SER H H 94 8.564 8.564 7.532 1.032 18712 12299 1 20 . 1 1 95 95 LEU N N 95 125.594 125.594 119.327 6.267 18712 12300 1 20 . 1 1 95 95 LEU HA H 95 4.684 4.684 4.576 0.108 18712 12301 1 20 . 1 1 95 95 LEU CB C 95 43.516 43.516 42.826 0.690 18712 12302 1 20 . 1 1 95 95 LEU H H 95 8.964 8.964 8.354 0.610 18712 12303 1 20 . 1 1 96 96 ARG N N 96 128.669 128.669 122.259 6.410 18712 12304 1 20 . 1 1 96 96 ARG HA H 96 5.061 5.061 4.441 0.620 18712 12305 1 20 . 1 1 96 96 ARG CA C 96 54.062 54.062 55.350 -1.288 18712 12306 1 20 . 1 1 96 96 ARG CB C 96 34.375 34.375 30.680 3.696 18712 12307 1 20 . 1 1 96 96 ARG H H 96 8.709 8.709 8.414 0.295 18712 12308 1 20 . 1 1 97 97 VAL N N 97 121.375 121.375 128.137 -6.762 18712 12309 1 20 . 1 1 97 97 VAL HA H 97 3.386 3.386 4.314 -0.928 18712 12310 1 20 . 1 1 97 97 VAL CA C 97 61.093 61.093 59.327 1.766 18712 12311 1 20 . 1 1 97 97 VAL CB C 97 32.266 32.266 33.356 -1.090 18712 12312 1 20 . 1 1 97 97 VAL H H 97 8.745 8.745 8.506 0.239 18712 12313 1 20 . 1 1 98 98 PRO HA H 98 4.543 4.543 4.615 -0.072 18712 12314 1 20 . 1 1 98 98 PRO CA C 98 62.500 62.500 62.490 0.010 18712 12315 1 20 . 1 1 98 98 PRO CB C 98 32.969 32.969 32.588 0.381 18712 12316 1 20 . 1 1 99 99 HIS N N 99 118.140 118.140 116.485 1.655 18712 12317 1 20 . 1 1 99 99 HIS HA H 99 4.272 4.272 4.495 -0.223 18712 12318 1 20 . 1 1 99 99 HIS CA C 99 58.281 58.281 56.706 1.575 18712 12319 1 20 . 1 1 99 99 HIS CB C 99 30.156 30.156 29.686 0.470 18712 12320 1 20 . 1 1 99 99 HIS H H 99 8.368 8.368 8.479 -0.111 18712 12321 1 20 . 1 1 100 100 GLY N N 100 116.101 116.101 114.538 1.563 18712 12322 1 20 . 1 1 100 100 GLY CA C 100 45.625 45.625 45.319 0.305 18712 12323 1 20 . 1 1 100 100 GLY H H 100 9.411 9.411 8.927 0.484 18712 12324 1 20 . 1 1 101 101 GLY N N 101 108.798 108.798 109.691 -0.893 18712 12325 1 20 . 1 1 101 101 GLY CA C 101 45.625 45.625 45.638 -0.013 18712 12326 1 20 . 1 1 101 101 GLY H H 101 8.399 8.399 7.867 0.532 18712 12327 1 20 . 1 1 102 102 GLY N N 102 105.967 105.967 109.505 -3.538 18712 12328 1 20 . 1 1 102 102 GLY CA C 102 45.625 45.625 45.569 0.056 18712 12329 1 20 . 1 1 102 102 GLY H H 102 8.310 8.310 8.305 0.005 18712 12330 1 20 . 1 1 103 103 GLY N N 103 107.574 107.574 107.221 0.353 18712 12331 1 20 . 1 1 103 103 GLY CA C 103 46.328 46.328 43.626 2.702 18712 12332 1 20 . 1 1 103 103 GLY H H 103 8.075 8.075 7.592 0.483 18712 12333 1 20 . 1 1 104 104 ILE N N 104 122.219 122.219 118.600 3.619 18712 12334 1 20 . 1 1 104 104 ILE HA H 104 5.075 5.075 4.416 0.659 18712 12335 1 20 . 1 1 104 104 ILE CA C 104 58.281 58.281 60.205 -1.924 18712 12336 1 20 . 1 1 104 104 ILE CB C 104 40.703 40.703 42.427 -1.724 18712 12337 1 20 . 1 1 104 104 ILE H H 104 8.269 8.269 7.693 0.576 18712 12338 1 20 . 1 1 105 105 ILE N N 105 124.237 124.237 125.225 -0.988 18712 12339 1 20 . 1 1 105 105 ILE HA H 105 4.312 4.312 4.253 0.059 18712 12340 1 20 . 1 1 105 105 ILE CA C 105 60.390 60.390 61.262 -0.872 18712 12341 1 20 . 1 1 105 105 ILE CB C 105 34.375 34.375 35.119 -0.744 18712 12342 1 20 . 1 1 105 105 ILE H H 105 8.965 8.965 8.495 0.470 18712 12343 1 20 . 1 1 106 106 HIS N N 106 135.053 135.053 128.071 6.982 18712 12344 1 20 . 1 1 106 106 HIS HA H 106 4.506 4.506 4.636 -0.130 18712 12345 1 20 . 1 1 106 106 HIS CA C 106 57.578 57.578 56.271 1.307 18712 12346 1 20 . 1 1 106 106 HIS CB C 106 33.672 33.672 31.936 1.736 18712 12347 1 20 . 1 1 106 106 HIS H H 106 9.604 9.604 8.406 1.198 18712 12348 1 20 . 1 1 107 107 ASP N N 107 112.528 112.528 118.895 -6.367 18712 12349 1 20 . 1 1 107 107 ASP HA H 107 4.707 4.707 4.750 -0.043 18712 12350 1 20 . 1 1 107 107 ASP CB C 107 42.812 42.812 45.314 -2.502 18712 12351 1 20 . 1 1 107 107 ASP H H 107 7.930 7.930 7.753 0.177 18712 12352 1 20 . 1 1 108 108 VAL N N 108 121.656 121.656 119.946 1.710 18712 12353 1 20 . 1 1 108 108 VAL HA H 108 5.028 5.028 4.435 0.593 18712 12354 1 20 . 1 1 108 108 VAL CA C 108 61.796 61.796 61.591 0.205 18712 12355 1 20 . 1 1 108 108 VAL CB C 108 36.484 36.484 35.071 1.413 18712 12356 1 20 . 1 1 108 108 VAL H H 108 8.325 8.325 8.321 0.004 18712 12357 1 20 . 1 1 109 109 LYS N N 109 126.798 126.798 128.522 -1.724 18712 12358 1 20 . 1 1 109 109 LYS HA H 109 4.676 4.676 4.607 0.069 18712 12359 1 20 . 1 1 109 109 LYS CB C 109 37.187 37.187 34.382 2.805 18712 12360 1 20 . 1 1 109 109 LYS H H 109 9.417 9.417 8.231 1.186 18712 12361 1 20 . 1 1 110 110 VAL N N 110 121.892 121.892 123.764 -1.872 18712 12362 1 20 . 1 1 110 110 VAL HA H 110 4.676 4.676 4.288 0.388 18712 12363 1 20 . 1 1 110 110 VAL CB C 110 33.672 33.672 34.295 -0.623 18712 12364 1 20 . 1 1 110 110 VAL H H 110 8.206 8.206 8.230 -0.024 18712 12365 1 20 . 1 1 111 111 PHE N N 111 126.578 126.578 127.662 -1.084 18712 12366 1 20 . 1 1 111 111 PHE HA H 111 4.995 4.995 4.828 0.167 18712 12367 1 20 . 1 1 111 111 PHE CA C 111 56.172 56.172 55.790 0.382 18712 12368 1 20 . 1 1 111 111 PHE CB C 111 42.109 42.109 41.425 0.684 18712 12369 1 20 . 1 1 111 111 PHE H H 111 9.459 9.459 8.997 0.462 18712 12370 1 20 . 1 1 112 112 ASN N N 112 121.797 121.797 119.664 2.133 18712 12371 1 20 . 1 1 112 112 ASN HA H 112 5.425 5.425 5.011 0.414 18712 12372 1 20 . 1 1 112 112 ASN CA C 112 52.656 52.656 52.028 0.628 18712 12373 1 20 . 1 1 112 112 ASN CB C 112 42.109 42.109 41.709 0.400 18712 12374 1 20 . 1 1 112 112 ASN H H 112 10.663 10.663 8.765 1.898 18712 12375 1 20 . 1 1 113 113 ARG N N 113 130.516 130.516 126.483 4.033 18712 12376 1 20 . 1 1 113 113 ARG HA H 113 4.435 4.435 4.285 0.150 18712 12377 1 20 . 1 1 113 113 ARG CA C 113 59.687 59.687 59.101 0.586 18712 12378 1 20 . 1 1 113 113 ARG CB C 113 30.859 30.859 30.457 0.402 18712 12379 1 20 . 1 1 113 113 ARG H H 113 9.138 9.138 9.007 0.131 18712 12380 1 20 . 1 1 114 114 GLU N N 114 119.008 119.008 118.993 0.015 18712 12381 1 20 . 1 1 114 114 GLU HA H 114 4.142 4.142 4.116 0.026 18712 12382 1 20 . 1 1 114 114 GLU CA C 114 58.281 58.281 58.952 -0.671 18712 12383 1 20 . 1 1 114 114 GLU CB C 114 29.453 29.453 29.089 0.364 18712 12384 1 20 . 1 1 114 114 GLU H H 114 8.924 8.924 7.966 0.958 18712 12385 1 20 . 1 1 115 115 ASP N N 115 116.593 116.593 117.283 -0.690 18712 12386 1 20 . 1 1 115 115 ASP HA H 115 4.869 4.869 4.578 0.291 18712 12387 1 20 . 1 1 115 115 ASP CA C 115 54.062 54.062 54.094 -0.032 18712 12388 1 20 . 1 1 115 115 ASP CB C 115 42.109 42.109 41.563 0.546 18712 12389 1 20 . 1 1 115 115 ASP H H 115 7.356 7.356 7.662 -0.306 18712 12390 1 20 . 1 1 116 116 GLY N N 116 106.689 106.689 107.994 -1.305 18712 12391 1 20 . 1 1 116 116 GLY CA C 116 44.922 44.922 44.609 0.313 18712 12392 1 20 . 1 1 116 116 GLY H H 116 7.918 7.918 7.803 0.115 18712 12393 1 20 . 1 1 117 117 ASP N N 117 119.329 119.329 121.731 -2.402 18712 12394 1 20 . 1 1 117 117 ASP HA H 117 4.632 4.632 4.701 -0.069 18712 12395 1 20 . 1 1 117 117 ASP CA C 117 55.468 55.468 53.981 1.486 18712 12396 1 20 . 1 1 117 117 ASP CB C 117 41.406 41.406 41.853 -0.447 18712 12397 1 20 . 1 1 117 117 ASP H H 117 7.220 7.220 7.821 -0.601 18712 12398 1 20 . 1 1 118 118 GLU N N 118 123.484 123.484 124.423 -0.939 18712 12399 1 20 . 1 1 118 118 GLU HA H 118 4.240 4.240 4.348 -0.108 18712 12400 1 20 . 1 1 118 118 GLU CA C 118 56.875 56.875 56.991 -0.116 18712 12401 1 20 . 1 1 118 118 GLU CB C 118 29.453 29.453 30.631 -1.178 18712 12402 1 20 . 1 1 118 118 GLU H H 118 8.626 8.626 8.552 0.074 18712 12403 1 20 . 1 1 119 119 LEU N N 119 129.139 129.139 125.767 3.372 18712 12404 1 20 . 1 1 119 119 LEU HA H 119 4.759 4.759 4.803 -0.044 18712 12405 1 20 . 1 1 119 119 LEU CB C 119 44.219 44.219 44.189 0.030 18712 12406 1 20 . 1 1 119 119 LEU H H 119 8.106 8.106 8.261 -0.155 18712 12407 1 20 . 1 1 120 120 PRO CB C 120 31.914 31.914 31.139 0.775 18712 12408 1 20 . 1 1 121 121 PRO HA H 121 4.269 4.269 4.335 -0.066 18712 12409 1 20 . 1 1 121 121 PRO CA C 121 63.906 63.906 63.641 0.265 18712 12410 1 20 . 1 1 121 121 PRO CB C 121 31.563 31.563 31.164 0.399 18712 12411 1 20 . 1 1 122 122 GLY N N 122 112.656 112.656 111.197 1.459 18712 12412 1 20 . 1 1 122 122 GLY CA C 122 45.625 45.625 44.967 0.658 18712 12413 1 20 . 1 1 122 122 GLY H H 122 8.827 8.827 8.755 0.072 18712 12414 1 20 . 1 1 123 123 VAL N N 123 119.406 119.406 119.140 0.266 18712 12415 1 20 . 1 1 123 123 VAL HA H 123 4.017 4.017 4.724 -0.707 18712 12416 1 20 . 1 1 123 123 VAL CA C 123 62.851 62.851 60.699 2.152 18712 12417 1 20 . 1 1 123 123 VAL CB C 123 32.266 32.266 34.544 -2.278 18712 12418 1 20 . 1 1 123 123 VAL H H 123 7.845 7.845 7.355 0.490 18712 12419 1 20 . 1 1 124 124 ASN N N 124 124.609 124.609 122.007 2.602 18712 12420 1 20 . 1 1 124 124 ASN HA H 124 4.877 4.877 5.018 -0.141 18712 12421 1 20 . 1 1 124 124 ASN CA C 124 54.765 54.765 53.579 1.186 18712 12422 1 20 . 1 1 124 124 ASN CB C 124 40.000 40.000 41.298 -1.298 18712 12423 1 20 . 1 1 124 124 ASN H H 124 9.206 9.206 8.638 0.568 18712 12424 1 20 . 1 1 125 125 GLN N N 125 117.959 117.959 115.483 2.476 18712 12425 1 20 . 1 1 125 125 GLN HA H 125 5.234 5.234 4.646 0.588 18712 12426 1 20 . 1 1 125 125 GLN CA C 125 56.172 56.172 55.317 0.855 18712 12427 1 20 . 1 1 125 125 GLN CB C 125 33.672 33.672 33.209 0.463 18712 12428 1 20 . 1 1 125 125 GLN H H 125 7.756 7.756 7.612 0.144 18712 12429 1 20 . 1 1 126 126 LEU N N 126 125.559 125.559 122.081 3.478 18712 12430 1 20 . 1 1 126 126 LEU HA H 126 5.261 5.261 5.056 0.205 18712 12431 1 20 . 1 1 126 126 LEU CA C 126 54.765 54.765 54.575 0.190 18712 12432 1 20 . 1 1 126 126 LEU CB C 126 47.734 47.734 46.339 1.395 18712 12433 1 20 . 1 1 126 126 LEU H H 126 8.866 8.866 8.299 0.567 18712 12434 1 20 . 1 1 127 127 VAL N N 127 126.578 126.578 125.507 1.071 18712 12435 1 20 . 1 1 127 127 VAL HA H 127 5.127 5.127 4.801 0.326 18712 12436 1 20 . 1 1 127 127 VAL CA C 127 60.390 60.390 59.895 0.495 18712 12437 1 20 . 1 1 127 127 VAL CB C 127 35.078 35.078 35.734 -0.656 18712 12438 1 20 . 1 1 127 127 VAL H H 127 9.367 9.367 9.073 0.294 18712 12439 1 20 . 1 1 128 128 ARG N N 128 126.578 126.578 125.461 1.117 18712 12440 1 20 . 1 1 128 128 ARG HA H 128 5.259 5.259 5.242 0.017 18712 12441 1 20 . 1 1 128 128 ARG CA C 128 54.765 54.765 53.869 0.896 18712 12442 1 20 . 1 1 128 128 ARG CB C 128 33.672 33.672 34.860 -1.188 18712 12443 1 20 . 1 1 128 128 ARG H H 128 9.502 9.502 8.909 0.593 18712 12444 1 20 . 1 1 129 129 VAL N N 129 123.977 123.977 119.057 4.920 18712 12445 1 20 . 1 1 129 129 VAL HA H 129 4.489 4.489 4.469 0.020 18712 12446 1 20 . 1 1 129 129 VAL CA C 129 61.093 61.093 61.381 -0.288 18712 12447 1 20 . 1 1 129 129 VAL CB C 129 35.078 35.078 34.976 0.102 18712 12448 1 20 . 1 1 129 129 VAL H H 129 9.051 9.051 8.135 0.916 18712 12449 1 20 . 1 1 130 130 TYR N N 130 124.673 124.673 123.045 1.628 18712 12450 1 20 . 1 1 130 130 TYR HA H 130 5.419 5.419 5.073 0.346 18712 12451 1 20 . 1 1 130 130 TYR CA C 130 56.172 56.172 56.531 -0.359 18712 12452 1 20 . 1 1 130 130 TYR CB C 130 39.297 39.297 40.666 -1.369 18712 12453 1 20 . 1 1 130 130 TYR H H 130 8.650 8.650 8.518 0.132 18712 12454 1 20 . 1 1 131 131 ILE N N 131 125.227 125.227 123.626 1.601 18712 12455 1 20 . 1 1 131 131 ILE HA H 131 4.869 4.869 4.678 0.191 18712 12456 1 20 . 1 1 131 131 ILE CB C 131 40.000 40.000 41.230 -1.230 18712 12457 1 20 . 1 1 131 131 ILE H H 131 9.509 9.509 8.916 0.593 18712 12458 1 20 . 1 1 132 132 VAL N N 132 126.859 126.859 124.690 2.169 18712 12459 1 20 . 1 1 132 132 VAL HA H 132 4.729 4.729 4.737 -0.008 18712 12460 1 20 . 1 1 132 132 VAL CA C 132 61.093 61.093 61.022 0.071 18712 12461 1 20 . 1 1 132 132 VAL CB C 132 33.672 33.672 32.326 1.346 18712 12462 1 20 . 1 1 132 132 VAL H H 132 9.606 9.606 8.045 1.561 18712 12463 1 20 . 1 1 133 133 GLN N N 133 128.406 128.406 127.429 0.977 18712 12464 1 20 . 1 1 133 133 GLN HA H 133 4.751 4.751 4.398 0.353 18712 12465 1 20 . 1 1 133 133 GLN CA C 133 54.765 54.765 55.218 -0.453 18712 12466 1 20 . 1 1 133 133 GLN CB C 133 31.563 31.563 29.398 2.164 18712 12467 1 20 . 1 1 133 133 GLN H H 133 9.153 9.153 8.786 0.367 18712 12468 1 20 . 1 1 134 134 LYS N N 134 122.929 122.929 124.291 -1.362 18712 12469 1 20 . 1 1 134 134 LYS HA H 134 4.725 4.725 4.523 0.202 18712 12470 1 20 . 1 1 134 134 LYS CA C 134 56.172 56.172 55.592 0.580 18712 12471 1 20 . 1 1 134 134 LYS CB C 134 33.320 33.320 33.277 0.043 18712 12472 1 20 . 1 1 134 134 LYS H H 134 8.561 8.561 8.187 0.374 18712 12473 1 20 . 1 1 135 135 ARG N N 135 123.484 123.484 122.940 0.544 18712 12474 1 20 . 1 1 135 135 ARG HA H 135 4.503 4.503 4.153 0.350 18712 12475 1 20 . 1 1 135 135 ARG CA C 135 55.468 55.468 55.938 -0.470 18712 12476 1 20 . 1 1 135 135 ARG CB C 135 32.266 32.266 31.153 1.113 18712 12477 1 20 . 1 1 135 135 ARG H H 135 8.596 8.596 8.520 0.076 18712 12478 1 20 . 1 1 136 136 LYS N N 136 123.906 123.906 121.823 2.083 18712 12479 1 20 . 1 1 136 136 LYS HA H 136 4.467 4.467 4.127 0.340 18712 12480 1 20 . 1 1 136 136 LYS CA C 136 56.172 56.172 56.246 -0.074 18712 12481 1 20 . 1 1 136 136 LYS CB C 136 32.969 32.969 32.573 0.396 18712 12482 1 20 . 1 1 136 136 LYS H H 136 8.608 8.608 8.165 0.443 18712 12483 1 20 . 1 1 137 137 ILE N N 137 123.571 123.571 117.090 6.481 18712 12484 1 20 . 1 1 137 137 ILE HA H 137 4.184 4.184 4.037 0.147 18712 12485 1 20 . 1 1 137 137 ILE CA C 137 61.093 61.093 61.815 -0.722 18712 12486 1 20 . 1 1 137 137 ILE CB C 137 38.594 38.594 38.315 0.279 18712 12487 1 20 . 1 1 137 137 ILE H H 137 8.353 8.353 8.024 0.329 18712 12488 1 20 . 1 1 138 138 SER N N 138 119.547 119.547 117.963 1.584 18712 12489 1 20 . 1 1 138 138 SER HA H 138 4.503 4.503 4.311 0.192 18712 12490 1 20 . 1 1 138 138 SER CA C 138 58.281 58.281 59.286 -1.005 18712 12491 1 20 . 1 1 138 138 SER CB C 138 63.906 63.906 63.482 0.424 18712 12492 1 20 . 1 1 138 138 SER H H 138 8.410 8.410 8.142 0.268 18712 12493 1 20 . 1 1 139 139 GLU N N 139 123.281 123.281 126.907 -3.626 18712 12494 1 20 . 1 1 139 139 GLU HA H 139 4.307 4.307 4.324 -0.017 18712 12495 1 20 . 1 1 139 139 GLU CA C 139 56.875 56.875 57.130 -0.255 18712 12496 1 20 . 1 1 139 139 GLU CB C 139 30.156 30.156 29.790 0.366 18712 12497 1 20 . 1 1 139 139 GLU H H 139 8.489 8.489 8.913 -0.424 18712 12498 1 20 . 1 1 140 140 GLY N N 140 109.792 109.792 108.917 0.875 18712 12499 1 20 . 1 1 140 140 GLY CA C 140 45.625 45.625 44.927 0.698 18712 12500 1 20 . 1 1 140 140 GLY H H 140 8.418 8.418 8.516 -0.098 18712 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 130 2.828 -0.247 2.828 18712 2 1 1 "Average Difference" HA 150 0.344 -0.053 0.341 18712 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18712 4 1 1 "Average Difference" CA 123 1.131 -0.116 1.130 18712 5 1 1 "Average Difference" CB 121 1.434 -0.354 1.396 18712 6 1 1 "Average Difference" HN 130 0.578 -0.243 0.526 18712 7 1 2 "Average Difference" N 130 2.993 -0.167 3.000 18712 8 1 2 "Average Difference" HA 150 0.338 -0.069 0.332 18712 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18712 10 1 2 "Average Difference" CA 123 1.137 -0.118 1.135 18712 11 1 2 "Average Difference" CB 121 1.471 -0.368 1.430 18712 12 1 2 "Average Difference" HN 130 0.549 -0.245 0.493 18712 13 1 3 "Average Difference" N 130 2.987 -0.214 2.991 18712 14 1 3 "Average Difference" HA 150 0.346 -0.061 0.342 18712 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18712 16 1 3 "Average Difference" CA 123 1.120 -0.173 1.111 18712 17 1 3 "Average Difference" CB 121 1.403 -0.328 1.370 18712 18 1 3 "Average Difference" HN 130 0.546 -0.248 0.488 18712 19 1 4 "Average Difference" N 130 2.721 -0.218 2.722 18712 20 1 4 "Average Difference" HA 150 0.356 -0.062 0.352 18712 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18712 22 1 4 "Average Difference" CA 123 1.160 -0.179 1.151 18712 23 1 4 "Average Difference" CB 121 1.504 -0.352 1.469 18712 24 1 4 "Average Difference" HN 130 0.542 -0.229 0.493 18712 25 1 5 "Average Difference" N 130 3.104 -0.197 3.109 18712 26 1 5 "Average Difference" HA 150 0.340 -0.058 0.336 18712 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18712 28 1 5 "Average Difference" CA 123 1.143 -0.180 1.133 18712 29 1 5 "Average Difference" CB 121 1.447 -0.324 1.417 18712 30 1 5 "Average Difference" HN 130 0.528 -0.213 0.485 18712 31 1 6 "Average Difference" N 130 3.156 -0.265 3.157 18712 32 1 6 "Average Difference" HA 150 0.340 -0.056 0.336 18712 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18712 34 1 6 "Average Difference" CA 123 1.119 -0.159 1.112 18712 35 1 6 "Average Difference" CB 121 1.451 -0.325 1.421 18712 36 1 6 "Average Difference" HN 130 0.527 -0.230 0.475 18712 37 1 7 "Average Difference" N 130 2.996 -0.332 2.989 18712 38 1 7 "Average Difference" HA 150 0.347 -0.063 0.343 18712 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18712 40 1 7 "Average Difference" CA 123 1.081 -0.183 1.070 18712 41 1 7 "Average Difference" CB 121 1.468 -0.324 1.437 18712 42 1 7 "Average Difference" HN 130 0.562 -0.247 0.506 18712 43 1 8 "Average Difference" N 130 3.141 -0.514 3.111 18712 44 1 8 "Average Difference" HA 150 0.348 -0.073 0.342 18712 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18712 46 1 8 "Average Difference" CA 123 1.211 -0.156 1.206 18712 47 1 8 "Average Difference" CB 121 1.382 -0.344 1.344 18712 48 1 8 "Average Difference" HN 130 0.538 -0.250 0.478 18712 49 1 9 "Average Difference" N 130 2.887 -0.143 2.895 18712 50 1 9 "Average Difference" HA 150 0.335 -0.062 0.331 18712 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18712 52 1 9 "Average Difference" CA 123 1.135 -0.203 1.121 18712 53 1 9 "Average Difference" CB 121 1.508 -0.327 1.479 18712 54 1 9 "Average Difference" HN 130 0.549 -0.251 0.491 18712 55 1 10 "Average Difference" N 130 2.971 -0.213 2.975 18712 56 1 10 "Average Difference" HA 150 0.336 -0.064 0.331 18712 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18712 58 1 10 "Average Difference" CA 123 1.082 -0.156 1.075 18712 59 1 10 "Average Difference" CB 121 1.440 -0.340 1.405 18712 60 1 10 "Average Difference" HN 130 0.522 -0.242 0.465 18712 61 1 11 "Average Difference" N 130 3.245 -0.155 3.254 18712 62 1 11 "Average Difference" HA 150 0.335 -0.054 0.332 18712 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18712 64 1 11 "Average Difference" CA 123 1.063 -0.136 1.058 18712 65 1 11 "Average Difference" CB 121 1.379 -0.376 1.332 18712 66 1 11 "Average Difference" HN 130 0.554 -0.247 0.498 18712 67 1 12 "Average Difference" N 130 3.050 -0.332 3.044 18712 68 1 12 "Average Difference" HA 150 0.341 -0.062 0.336 18712 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18712 70 1 12 "Average Difference" CA 123 1.129 -0.133 1.126 18712 71 1 12 "Average Difference" CB 121 1.467 -0.300 1.442 18712 72 1 12 "Average Difference" HN 130 0.574 -0.259 0.514 18712 73 1 13 "Average Difference" N 130 3.037 -0.259 3.038 18712 74 1 13 "Average Difference" HA 150 0.363 -0.056 0.360 18712 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18712 76 1 13 "Average Difference" CA 123 1.086 -0.171 1.077 18712 77 1 13 "Average Difference" CB 121 1.521 -0.284 1.501 18712 78 1 13 "Average Difference" HN 130 0.562 -0.248 0.506 18712 79 1 14 "Average Difference" N 130 2.897 -0.334 2.889 18712 80 1 14 "Average Difference" HA 150 0.353 -0.057 0.349 18712 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18712 82 1 14 "Average Difference" CA 123 1.149 -0.138 1.145 18712 83 1 14 "Average Difference" CB 121 1.498 -0.359 1.461 18712 84 1 14 "Average Difference" HN 130 0.542 -0.245 0.485 18712 85 1 15 "Average Difference" N 130 2.965 -0.276 2.964 18712 86 1 15 "Average Difference" HA 150 0.344 -0.081 0.336 18712 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18712 88 1 15 "Average Difference" CA 123 1.147 -0.087 1.148 18712 89 1 15 "Average Difference" CB 121 1.521 -0.351 1.486 18712 90 1 15 "Average Difference" HN 130 0.543 -0.256 0.481 18712 91 1 16 "Average Difference" N 130 3.057 -0.277 3.056 18712 92 1 16 "Average Difference" HA 150 0.343 -0.052 0.341 18712 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18712 94 1 16 "Average Difference" CA 123 1.114 -0.162 1.107 18712 95 1 16 "Average Difference" CB 121 1.429 -0.296 1.404 18712 96 1 16 "Average Difference" HN 130 0.549 -0.227 0.502 18712 97 1 17 "Average Difference" N 130 2.851 -0.242 2.852 18712 98 1 17 "Average Difference" HA 150 0.344 -0.054 0.341 18712 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18712 100 1 17 "Average Difference" CA 123 1.079 -0.170 1.070 18712 101 1 17 "Average Difference" CB 121 1.453 -0.306 1.426 18712 102 1 17 "Average Difference" HN 130 0.555 -0.247 0.499 18712 103 1 18 "Average Difference" N 130 3.013 -0.419 2.995 18712 104 1 18 "Average Difference" HA 150 0.346 -0.045 0.344 18712 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18712 106 1 18 "Average Difference" CA 123 1.145 -0.198 1.133 18712 107 1 18 "Average Difference" CB 121 1.415 -0.249 1.399 18712 108 1 18 "Average Difference" HN 130 0.548 -0.234 0.498 18712 109 1 19 "Average Difference" N 130 2.750 -0.300 2.744 18712 110 1 19 "Average Difference" HA 150 0.348 -0.070 0.342 18712 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18712 112 1 19 "Average Difference" CA 123 1.107 -0.129 1.104 18712 113 1 19 "Average Difference" CB 121 1.410 -0.369 1.367 18712 114 1 19 "Average Difference" HN 130 0.549 -0.257 0.487 18712 115 1 20 "Average Difference" N 130 3.025 -0.435 3.005 18712 116 1 20 "Average Difference" HA 150 0.342 -0.067 0.336 18712 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18712 118 1 20 "Average Difference" CA 123 1.090 -0.150 1.084 18712 119 1 20 "Average Difference" CB 121 1.472 -0.322 1.443 18712 120 1 20 "Average Difference" HN 130 0.560 -0.259 0.498 18712 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 18712 _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 4 4 VAL N N 4 119.125 119.125 121.174 -2.049 18712 2 1 . 1 1 4 4 VAL HA H 4 4.070 4.070 4.289 -0.219 18712 3 1 . 1 1 4 4 VAL CA C 4 62.500 62.500 61.498 1.002 18712 4 1 . 1 1 4 4 VAL CB C 4 32.969 32.969 33.574 -0.604 18712 5 1 . 1 1 4 4 VAL H H 4 7.998 7.998 8.034 -0.036 18712 6 1 . 1 1 5 5 TYR N N 5 122.640 122.640 123.766 -1.126 18712 7 1 . 1 1 5 5 TYR HA H 5 4.674 4.674 4.830 -0.156 18712 8 1 . 1 1 5 5 TYR CA C 5 58.281 58.281 56.978 1.303 18712 9 1 . 1 1 5 5 TYR CB C 5 38.594 38.594 39.112 -0.518 18712 10 1 . 1 1 5 5 TYR H H 5 8.305 8.305 8.209 0.096 18712 11 1 . 1 1 6 6 THR N N 6 114.861 114.861 115.865 -1.004 18712 12 1 . 1 1 6 6 THR HA H 6 4.548 4.548 4.469 0.079 18712 13 1 . 1 1 6 6 THR CA C 6 61.796 61.796 60.998 0.798 18712 14 1 . 1 1 6 6 THR CB C 6 70.234 70.234 70.097 0.137 18712 15 1 . 1 1 6 6 THR H H 6 8.003 8.003 8.334 -0.331 18712 16 1 . 1 1 7 7 SER N N 7 118.140 118.140 117.523 0.617 18712 17 1 . 1 1 7 7 SER HA H 7 4.600 4.600 4.658 -0.058 18712 18 1 . 1 1 7 7 SER CA C 7 57.578 57.578 57.784 -0.206 18712 19 1 . 1 1 7 7 SER CB C 7 64.609 64.609 64.059 0.550 18712 20 1 . 1 1 7 7 SER H H 7 8.487 8.487 8.224 0.263 18712 21 1 . 1 1 8 8 ILE N N 8 121.375 121.375 121.058 0.317 18712 22 1 . 1 1 8 8 ILE HA H 8 4.627 4.627 4.218 0.409 18712 23 1 . 1 1 8 8 ILE CA C 8 60.390 60.390 61.077 -0.687 18712 24 1 . 1 1 8 8 ILE CB C 8 40.000 40.000 38.371 1.629 18712 25 1 . 1 1 8 8 ILE H H 8 8.139 8.139 8.216 -0.076 18712 26 1 . 1 1 9 9 HIS N N 9 125.734 125.734 125.236 0.498 18712 27 1 . 1 1 9 9 HIS HA H 9 4.768 4.768 4.796 -0.028 18712 28 1 . 1 1 9 9 HIS CB C 9 32.617 32.617 32.977 -0.360 18712 29 1 . 1 1 9 9 HIS H H 9 8.743 8.743 8.584 0.159 18712 30 1 . 1 1 10 10 ILE N N 10 125.875 125.875 121.727 4.148 18712 31 1 . 1 1 10 10 ILE HA H 10 4.806 4.806 4.681 0.125 18712 32 1 . 1 1 10 10 ILE CB C 10 39.297 39.297 39.630 -0.333 18712 33 1 . 1 1 10 10 ILE H H 10 8.035 8.035 8.555 -0.520 18712 34 1 . 1 1 11 11 GLU N N 11 129.438 129.438 127.451 1.987 18712 35 1 . 1 1 11 11 GLU HA H 11 4.472 4.472 4.416 0.056 18712 36 1 . 1 1 11 11 GLU CA C 11 54.062 54.062 55.112 -1.050 18712 37 1 . 1 1 11 11 GLU CB C 11 32.617 32.617 31.548 1.069 18712 38 1 . 1 1 11 11 GLU H H 11 8.934 8.934 8.923 0.011 18712 39 1 . 1 1 12 12 GLU N N 12 123.983 123.983 120.290 3.693 18712 40 1 . 1 1 12 12 GLU HA H 12 4.752 4.752 4.632 0.120 18712 41 1 . 1 1 12 12 GLU CA C 12 54.062 54.062 55.217 -1.155 18712 42 1 . 1 1 12 12 GLU CB C 12 32.617 32.617 31.110 1.507 18712 43 1 . 1 1 12 12 GLU H H 12 8.192 8.192 8.310 -0.117 18712 44 1 . 1 1 13 13 TYR N N 13 122.826 122.826 124.162 -1.336 18712 45 1 . 1 1 13 13 TYR HA H 13 4.741 4.741 4.725 0.016 18712 46 1 . 1 1 13 13 TYR CB C 13 42.812 42.812 41.375 1.437 18712 47 1 . 1 1 13 13 TYR H H 13 8.926 8.926 8.244 0.682 18712 48 1 . 1 1 14 14 GLU N N 14 119.329 119.329 122.177 -2.848 18712 49 1 . 1 1 14 14 GLU HA H 14 5.647 5.647 4.722 0.925 18712 50 1 . 1 1 14 14 GLU CA C 14 54.765 54.765 55.221 -0.456 18712 51 1 . 1 1 14 14 GLU CB C 14 34.375 34.375 32.709 1.666 18712 52 1 . 1 1 14 14 GLU H H 14 8.716 8.716 8.607 0.109 18712 53 1 . 1 1 15 15 SER N N 15 116.172 116.172 117.995 -1.823 18712 54 1 . 1 1 15 15 SER HA H 15 4.616 4.616 4.767 -0.151 18712 55 1 . 1 1 15 15 SER CA C 15 57.578 57.578 58.210 -0.632 18712 56 1 . 1 1 15 15 SER CB C 15 66.015 66.015 64.903 1.112 18712 57 1 . 1 1 15 15 SER H H 15 8.922 8.922 8.352 0.570 18712 58 1 . 1 1 16 16 GLU N N 16 125.172 125.172 124.365 0.807 18712 59 1 . 1 1 16 16 GLU HA H 16 5.082 5.082 4.863 0.219 18712 60 1 . 1 1 16 16 GLU CA C 16 54.062 54.062 54.151 -0.090 18712 61 1 . 1 1 16 16 GLU CB C 16 32.969 32.969 33.375 -0.406 18712 62 1 . 1 1 16 16 GLU H H 16 8.587 8.587 8.312 0.275 18712 63 1 . 1 1 17 17 ALA N N 17 124.890 124.890 127.137 -2.247 18712 64 1 . 1 1 17 17 ALA HA H 17 4.969 4.969 4.405 0.564 18712 65 1 . 1 1 17 17 ALA CA C 17 50.547 50.547 51.708 -1.161 18712 66 1 . 1 1 17 17 ALA CB C 17 19.610 19.610 19.198 0.412 18712 67 1 . 1 1 17 17 ALA H H 17 9.000 9.000 8.339 0.661 18712 68 1 . 1 1 18 18 ARG N N 18 125.376 125.376 125.247 0.129 18712 69 1 . 1 1 18 18 ARG HA H 18 5.175 5.175 4.975 0.200 18712 70 1 . 1 1 18 18 ARG CA C 18 54.765 54.765 54.901 -0.136 18712 71 1 . 1 1 18 18 ARG CB C 18 34.375 34.375 31.244 3.131 18712 72 1 . 1 1 18 18 ARG H H 18 9.624 9.624 8.016 1.608 18712 73 1 . 1 1 19 19 ASP N N 19 119.828 119.828 123.993 -4.165 18712 74 1 . 1 1 19 19 ASP HA H 19 4.685 4.685 4.507 0.178 18712 75 1 . 1 1 19 19 ASP CA C 19 55.117 55.117 54.528 0.589 18712 76 1 . 1 1 19 19 ASP CB C 19 41.406 41.406 41.173 0.233 18712 77 1 . 1 1 19 19 ASP H H 19 8.420 8.420 8.407 0.013 18712 78 1 . 1 1 20 20 THR N N 20 112.948 112.948 114.691 -1.743 18712 79 1 . 1 1 20 20 THR HA H 20 4.979 4.979 4.373 0.606 18712 80 1 . 1 1 20 20 THR CA C 20 60.390 60.390 60.977 -0.587 18712 81 1 . 1 1 20 20 THR CB C 20 73.046 73.046 70.078 2.968 18712 82 1 . 1 1 20 20 THR H H 20 7.602 7.602 8.137 -0.535 18712 83 1 . 1 1 21 21 LYS HA H 21 4.146 4.146 4.373 -0.227 18712 84 1 . 1 1 21 21 LYS CA C 21 58.984 58.984 57.807 1.177 18712 85 1 . 1 1 21 21 LYS CB C 21 32.266 32.266 31.581 0.685 18712 86 1 . 1 1 22 22 LEU N N 22 117.346 117.346 120.522 -3.176 18712 87 1 . 1 1 22 22 LEU HA H 22 4.532 4.532 4.476 0.056 18712 88 1 . 1 1 22 22 LEU CA C 22 54.062 54.062 54.529 -0.467 18712 89 1 . 1 1 22 22 LEU CB C 22 42.812 42.812 41.995 0.817 18712 90 1 . 1 1 22 22 LEU H H 22 7.848 7.848 7.399 0.449 18712 91 1 . 1 1 23 23 GLY N N 23 108.437 108.437 109.488 -1.051 18712 92 1 . 1 1 23 23 GLY CA C 23 43.516 43.516 44.378 -0.862 18712 93 1 . 1 1 23 23 GLY H H 23 7.407 7.407 7.414 -0.007 18712 94 1 . 1 1 24 24 PRO HA H 24 4.894 4.894 4.595 0.299 18712 95 1 . 1 1 24 24 PRO CA C 24 63.906 63.906 62.465 1.441 18712 96 1 . 1 1 24 24 PRO CB C 24 31.563 31.563 33.194 -1.631 18712 97 1 . 1 1 25 25 GLU N N 25 118.281 118.281 118.364 -0.083 18712 98 1 . 1 1 25 25 GLU HA H 25 4.621 4.621 4.396 0.225 18712 99 1 . 1 1 25 25 GLU CA C 25 56.523 56.523 56.880 -0.358 18712 100 1 . 1 1 25 25 GLU CB C 25 32.266 32.266 31.078 1.188 18712 101 1 . 1 1 25 25 GLU H H 25 8.341 8.341 8.822 -0.481 18712 102 1 . 1 1 26 26 GLU N N 26 119.406 119.406 118.954 0.452 18712 103 1 . 1 1 26 26 GLU HA H 26 4.710 4.710 4.499 0.211 18712 104 1 . 1 1 26 26 GLU CA C 26 54.765 54.765 55.669 -0.904 18712 105 1 . 1 1 26 26 GLU CB C 26 33.672 33.672 30.980 2.692 18712 106 1 . 1 1 26 26 GLU H H 26 8.336 8.336 7.788 0.548 18712 107 1 . 1 1 27 27 ILE N N 27 127.472 127.472 122.097 5.375 18712 108 1 . 1 1 27 27 ILE HA H 27 5.009 5.009 4.203 0.806 18712 109 1 . 1 1 27 27 ILE CA C 27 60.390 60.390 61.834 -1.444 18712 110 1 . 1 1 27 27 ILE CB C 27 37.187 37.187 38.752 -1.565 18712 111 1 . 1 1 27 27 ILE H H 27 8.405 8.405 8.525 -0.120 18712 112 1 . 1 1 28 28 THR N N 28 124.387 124.387 120.875 3.512 18712 113 1 . 1 1 28 28 THR HA H 28 4.492 4.492 4.617 -0.125 18712 114 1 . 1 1 28 28 THR CA C 28 59.687 59.687 60.518 -0.831 18712 115 1 . 1 1 28 28 THR CB C 28 68.125 68.125 70.714 -2.589 18712 116 1 . 1 1 28 28 THR H H 28 8.191 8.191 8.402 -0.211 18712 117 1 . 1 1 29 29 ARG N N 29 120.568 120.568 120.771 -0.203 18712 118 1 . 1 1 29 29 ARG HA H 29 4.202 4.202 4.666 -0.464 18712 119 1 . 1 1 29 29 ARG CA C 29 55.468 55.468 55.085 0.383 18712 120 1 . 1 1 29 29 ARG CB C 29 32.266 32.266 31.535 0.731 18712 121 1 . 1 1 29 29 ARG H H 29 7.995 7.995 8.417 -0.422 18712 122 1 . 1 1 30 30 ASP N N 30 123.906 123.906 123.420 0.486 18712 123 1 . 1 1 30 30 ASP HA H 30 4.619 4.619 4.723 -0.104 18712 124 1 . 1 1 30 30 ASP CA C 30 53.359 53.359 53.882 -0.523 18712 125 1 . 1 1 30 30 ASP CB C 30 38.594 38.594 42.354 -3.760 18712 126 1 . 1 1 30 30 ASP H H 30 8.784 8.784 8.673 0.111 18712 127 1 . 1 1 31 31 ILE N N 31 123.422 123.422 123.299 0.123 18712 128 1 . 1 1 31 31 ILE HA H 31 4.063 4.063 4.483 -0.420 18712 129 1 . 1 1 31 31 ILE CA C 31 57.578 57.578 56.909 0.669 18712 130 1 . 1 1 31 31 ILE CB C 31 40.703 40.703 37.455 3.248 18712 131 1 . 1 1 31 31 ILE H H 31 7.404 7.404 8.056 -0.652 18712 132 1 . 1 1 32 32 PRO HA H 32 4.273 4.273 4.532 -0.259 18712 133 1 . 1 1 32 32 PRO CA C 32 63.554 63.554 62.995 0.559 18712 134 1 . 1 1 32 32 PRO CB C 32 32.266 32.266 32.455 -0.189 18712 135 1 . 1 1 33 33 ASN N N 33 114.027 114.027 114.836 -0.809 18712 136 1 . 1 1 33 33 ASN HA H 33 4.269 4.269 4.353 -0.084 18712 137 1 . 1 1 33 33 ASN CA C 33 55.117 55.117 53.942 1.175 18712 138 1 . 1 1 33 33 ASN CB C 33 37.891 37.891 37.201 0.690 18712 139 1 . 1 1 33 33 ASN H H 33 8.880 8.880 8.648 0.232 18712 140 1 . 1 1 34 34 VAL N N 34 117.111 117.111 120.021 -2.910 18712 141 1 . 1 1 34 34 VAL HA H 34 4.249 4.249 4.240 0.008 18712 142 1 . 1 1 34 34 VAL CA C 34 62.148 62.148 61.590 0.558 18712 143 1 . 1 1 34 34 VAL CB C 34 33.672 33.672 33.363 0.309 18712 144 1 . 1 1 34 34 VAL H H 34 7.328 7.328 7.526 -0.198 18712 145 1 . 1 1 35 35 GLY N N 35 113.600 113.600 112.009 1.591 18712 146 1 . 1 1 35 35 GLY CA C 35 44.219 44.219 44.363 -0.144 18712 147 1 . 1 1 35 35 GLY H H 35 8.653 8.653 8.327 0.326 18712 148 1 . 1 1 36 36 GLU N N 36 118.562 118.562 121.564 -3.002 18712 149 1 . 1 1 36 36 GLU HA H 36 3.888 3.888 4.020 -0.132 18712 150 1 . 1 1 36 36 GLU CA C 36 59.687 59.687 58.996 0.691 18712 151 1 . 1 1 36 36 GLU CB C 36 29.453 29.453 29.550 -0.097 18712 152 1 . 1 1 36 36 GLU H H 36 8.457 8.457 8.807 -0.350 18712 153 1 . 1 1 37 37 ASP N N 37 118.140 118.140 119.026 -0.886 18712 154 1 . 1 1 37 37 ASP HA H 37 4.335 4.335 4.469 -0.134 18712 155 1 . 1 1 37 37 ASP CA C 37 56.875 56.875 56.408 0.467 18712 156 1 . 1 1 37 37 ASP CB C 37 40.000 40.000 40.192 -0.192 18712 157 1 . 1 1 37 37 ASP H H 37 8.728 8.728 8.544 0.183 18712 158 1 . 1 1 38 38 ALA N N 38 120.752 120.752 120.762 -0.010 18712 159 1 . 1 1 38 38 ALA HA H 38 4.288 4.288 4.244 0.044 18712 160 1 . 1 1 38 38 ALA CA C 38 53.359 53.359 54.224 -0.865 18712 161 1 . 1 1 38 38 ALA CB C 38 18.555 18.555 18.903 -0.348 18712 162 1 . 1 1 38 38 ALA H H 38 7.642 7.642 7.822 -0.180 18712 163 1 . 1 1 39 39 LEU N N 39 117.015 117.015 111.991 5.024 18712 164 1 . 1 1 39 39 LEU HA H 39 4.295 4.295 4.737 -0.442 18712 165 1 . 1 1 39 39 LEU CA C 39 54.765 54.765 53.997 0.768 18712 166 1 . 1 1 39 39 LEU CB C 39 43.164 43.164 41.548 1.616 18712 167 1 . 1 1 39 39 LEU H H 39 7.446 7.446 7.216 0.230 18712 168 1 . 1 1 40 40 ARG N N 40 118.017 118.017 119.560 -1.543 18712 169 1 . 1 1 40 40 ARG HA H 40 4.064 4.064 4.099 -0.035 18712 170 1 . 1 1 40 40 ARG CA C 40 59.687 59.687 58.458 1.229 18712 171 1 . 1 1 40 40 ARG CB C 40 30.508 30.508 30.254 0.254 18712 172 1 . 1 1 40 40 ARG H H 40 7.079 7.079 7.642 -0.563 18712 173 1 . 1 1 41 41 ASN N N 41 115.439 115.439 116.240 -0.801 18712 174 1 . 1 1 41 41 ASN HA H 41 4.996 4.996 4.731 0.265 18712 175 1 . 1 1 41 41 ASN CA C 41 53.359 53.359 53.291 0.068 18712 176 1 . 1 1 41 41 ASN CB C 41 39.297 39.297 39.118 0.179 18712 177 1 . 1 1 41 41 ASN H H 41 9.057 9.057 8.308 0.749 18712 178 1 . 1 1 42 42 LEU N N 42 118.703 118.703 121.330 -2.627 18712 179 1 . 1 1 42 42 LEU HA H 42 4.403 4.403 4.128 0.275 18712 180 1 . 1 1 42 42 LEU CA C 42 54.062 54.062 56.409 -2.347 18712 181 1 . 1 1 42 42 LEU CB C 42 42.812 42.812 42.567 0.245 18712 182 1 . 1 1 42 42 LEU H H 42 7.719 7.719 7.795 -0.076 18712 183 1 . 1 1 43 43 ASP N N 43 122.791 122.791 124.849 -2.058 18712 184 1 . 1 1 43 43 ASP HA H 43 4.481 4.481 4.793 -0.312 18712 185 1 . 1 1 43 43 ASP CA C 43 52.656 52.656 52.908 -0.252 18712 186 1 . 1 1 43 43 ASP CB C 43 39.648 39.648 42.385 -2.737 18712 187 1 . 1 1 43 43 ASP H H 43 8.933 8.933 8.031 0.902 18712 188 1 . 1 1 44 44 ASP N N 44 114.917 114.917 119.383 -4.466 18712 189 1 . 1 1 44 44 ASP HA H 44 4.278 4.278 4.462 -0.184 18712 190 1 . 1 1 44 44 ASP CA C 44 56.875 56.875 56.386 0.488 18712 191 1 . 1 1 44 44 ASP CB C 44 40.000 40.000 40.573 -0.573 18712 192 1 . 1 1 44 44 ASP H H 44 8.281 8.281 8.766 -0.485 18712 193 1 . 1 1 45 45 ARG N N 45 118.140 118.140 116.989 1.151 18712 194 1 . 1 1 45 45 ARG HA H 45 4.366 4.366 4.280 0.086 18712 195 1 . 1 1 45 45 ARG CA C 45 55.117 55.117 56.378 -1.261 18712 196 1 . 1 1 45 45 ARG CB C 45 30.859 30.859 30.330 0.529 18712 197 1 . 1 1 45 45 ARG H H 45 8.500 8.500 8.241 0.259 18712 198 1 . 1 1 46 46 GLY N N 46 101.828 101.828 107.144 -5.316 18712 199 1 . 1 1 46 46 GLY CA C 46 45.273 45.273 45.120 0.153 18712 200 1 . 1 1 46 46 GLY H H 46 7.680 7.680 7.897 -0.217 18712 201 1 . 1 1 47 47 VAL N N 47 119.955 119.955 118.643 1.312 18712 202 1 . 1 1 47 47 VAL HA H 47 4.406 4.406 4.348 0.058 18712 203 1 . 1 1 47 47 VAL CA C 47 61.796 61.796 59.323 2.473 18712 204 1 . 1 1 47 47 VAL CB C 47 33.672 33.672 34.362 -0.690 18712 205 1 . 1 1 47 47 VAL H H 47 8.007 8.007 7.468 0.539 18712 206 1 . 1 1 48 48 ILE N N 48 128.406 128.406 126.156 2.250 18712 207 1 . 1 1 48 48 ILE HA H 48 4.202 4.202 3.988 0.214 18712 208 1 . 1 1 48 48 ILE CA C 48 59.687 59.687 60.968 -1.281 18712 209 1 . 1 1 48 48 ILE CB C 48 38.945 38.945 36.638 2.307 18712 210 1 . 1 1 48 48 ILE H H 48 8.145 8.145 8.227 -0.082 18712 211 1 . 1 1 49 49 ARG N N 49 123.765 123.765 127.088 -3.323 18712 212 1 . 1 1 49 49 ARG HA H 49 4.328 4.328 4.212 0.116 18712 213 1 . 1 1 49 49 ARG CA C 49 56.875 56.875 56.098 0.777 18712 214 1 . 1 1 49 49 ARG CB C 49 31.563 31.563 31.474 0.089 18712 215 1 . 1 1 49 49 ARG H H 49 7.447 7.447 7.988 -0.541 18712 216 1 . 1 1 50 50 ILE N N 50 121.094 121.094 120.582 0.512 18712 217 1 . 1 1 50 50 ILE HA H 50 3.414 3.414 3.752 -0.338 18712 218 1 . 1 1 50 50 ILE CA C 50 64.609 64.609 62.001 2.608 18712 219 1 . 1 1 50 50 ILE H H 50 8.284 8.284 8.227 0.057 18712 220 1 . 1 1 51 51 GLY N N 51 115.791 115.791 113.209 2.582 18712 221 1 . 1 1 51 51 GLY CA C 51 44.922 44.922 45.137 -0.215 18712 222 1 . 1 1 51 51 GLY H H 51 8.679 8.679 8.912 -0.232 18712 223 1 . 1 1 52 52 ALA N N 52 122.065 122.065 122.960 -0.895 18712 224 1 . 1 1 52 52 ALA HA H 52 4.246 4.246 4.583 -0.337 18712 225 1 . 1 1 52 52 ALA CA C 52 52.656 52.656 50.702 1.954 18712 226 1 . 1 1 52 52 ALA CB C 52 18.906 18.906 20.387 -1.481 18712 227 1 . 1 1 52 52 ALA H H 52 7.496 7.496 7.505 -0.009 18712 228 1 . 1 1 53 53 GLU N N 53 121.468 121.468 123.391 -1.923 18712 229 1 . 1 1 53 53 GLU HA H 53 4.892 4.892 4.213 0.679 18712 230 1 . 1 1 53 53 GLU CB C 53 30.508 30.508 30.345 0.163 18712 231 1 . 1 1 53 53 GLU H H 53 8.427 8.427 8.606 -0.179 18712 232 1 . 1 1 54 54 VAL N N 54 117.437 117.437 124.109 -6.672 18712 233 1 . 1 1 54 54 VAL HA H 54 4.979 4.979 4.132 0.847 18712 234 1 . 1 1 54 54 VAL CA C 54 58.632 58.632 61.066 -2.434 18712 235 1 . 1 1 54 54 VAL CB C 54 35.781 35.781 33.159 2.622 18712 236 1 . 1 1 54 54 VAL H H 54 9.002 9.002 8.194 0.808 18712 237 1 . 1 1 55 55 LYS N N 55 123.906 123.906 123.516 0.390 18712 238 1 . 1 1 55 55 LYS HA H 55 4.698 4.698 4.555 0.143 18712 239 1 . 1 1 55 55 LYS CA C 55 53.359 53.359 54.692 -1.333 18712 240 1 . 1 1 55 55 LYS CB C 55 35.781 35.781 34.669 1.112 18712 241 1 . 1 1 55 55 LYS H H 55 9.244 9.244 7.897 1.347 18712 242 1 . 1 1 56 56 ASP N N 56 118.562 118.562 120.737 -2.175 18712 243 1 . 1 1 56 56 ASP HA H 56 3.764 3.764 4.366 -0.602 18712 244 1 . 1 1 56 56 ASP CA C 56 56.172 56.172 56.030 0.142 18712 245 1 . 1 1 56 56 ASP CB C 56 40.000 40.000 40.559 -0.559 18712 246 1 . 1 1 56 56 ASP H H 56 8.176 8.176 8.558 -0.382 18712 247 1 . 1 1 57 57 GLY N N 57 112.515 112.515 112.707 -0.192 18712 248 1 . 1 1 57 57 GLY CA C 57 45.625 45.625 45.179 0.446 18712 249 1 . 1 1 57 57 GLY H H 57 8.841 8.841 8.770 0.071 18712 250 1 . 1 1 58 58 ASP N N 58 121.375 121.375 121.960 -0.585 18712 251 1 . 1 1 58 58 ASP HA H 58 4.532 4.532 4.890 -0.358 18712 252 1 . 1 1 58 58 ASP CA C 58 54.765 54.765 52.772 1.993 18712 253 1 . 1 1 58 58 ASP CB C 58 41.055 41.055 40.622 0.433 18712 254 1 . 1 1 58 58 ASP H H 58 8.209 8.209 7.809 0.400 18712 255 1 . 1 1 59 59 LEU N N 59 119.828 119.828 122.778 -2.950 18712 256 1 . 1 1 59 59 LEU HA H 59 3.976 3.976 4.249 -0.273 18712 257 1 . 1 1 59 59 LEU CA C 59 56.875 56.875 55.076 1.799 18712 258 1 . 1 1 59 59 LEU CB C 59 44.219 44.219 42.505 1.714 18712 259 1 . 1 1 59 59 LEU H H 59 8.570 8.570 8.246 0.324 18712 260 1 . 1 1 60 60 LEU N N 60 116.594 116.594 113.159 3.435 18712 261 1 . 1 1 60 60 LEU HA H 60 4.518 4.518 3.972 0.546 18712 262 1 . 1 1 60 60 LEU CB C 60 44.922 44.922 40.117 4.805 18712 263 1 . 1 1 60 60 LEU H H 60 8.816 8.816 7.810 1.006 18712 264 1 . 1 1 61 61 VAL N N 61 115.656 115.656 115.508 0.148 18712 265 1 . 1 1 61 61 VAL HA H 61 4.618 4.618 4.275 0.343 18712 266 1 . 1 1 61 61 VAL CA C 61 61.093 61.093 60.591 0.502 18712 267 1 . 1 1 61 61 VAL CB C 61 36.484 36.484 35.314 1.171 18712 268 1 . 1 1 61 61 VAL H H 61 7.322 7.322 7.341 -0.019 18712 269 1 . 1 1 62 62 GLY N N 62 117.191 117.191 113.461 3.730 18712 270 1 . 1 1 62 62 GLY CA C 62 45.625 45.625 44.537 1.088 18712 271 1 . 1 1 62 62 GLY H H 62 9.563 9.563 8.353 1.210 18712 272 1 . 1 1 63 63 LYS N N 63 127.584 127.584 127.000 0.584 18712 273 1 . 1 1 63 63 LYS HA H 63 5.328 5.328 4.710 0.618 18712 274 1 . 1 1 63 63 LYS CA C 63 56.172 56.172 55.425 0.747 18712 275 1 . 1 1 63 63 LYS CB C 63 35.078 35.078 35.239 -0.161 18712 276 1 . 1 1 63 63 LYS H H 63 8.712 8.712 8.095 0.617 18712 277 1 . 1 1 64 64 VAL N N 64 114.383 114.383 121.669 -7.286 18712 278 1 . 1 1 64 64 VAL HA H 64 5.523 5.523 4.951 0.572 18712 279 1 . 1 1 64 64 VAL CA C 64 57.578 57.578 60.171 -2.593 18712 280 1 . 1 1 64 64 VAL CB C 64 35.781 35.781 34.795 0.986 18712 281 1 . 1 1 64 64 VAL H H 64 8.481 8.481 7.981 0.500 18712 282 1 . 1 1 65 65 THR N N 65 118.431 118.431 115.828 2.603 18712 283 1 . 1 1 65 65 THR HA H 65 4.602 4.602 4.909 -0.307 18712 284 1 . 1 1 65 65 THR CA C 65 59.687 59.687 58.667 1.020 18712 285 1 . 1 1 65 65 THR CB C 65 72.343 72.343 69.154 3.189 18712 286 1 . 1 1 65 65 THR H H 65 8.637 8.637 8.109 0.528 18712 287 1 . 1 1 66 66 PRO HA H 66 4.557 4.557 4.471 0.086 18712 288 1 . 1 1 66 66 PRO CA C 66 63.906 63.906 62.753 1.153 18712 289 1 . 1 1 66 66 PRO CB C 66 32.969 32.969 32.481 0.488 18712 290 1 . 1 1 67 67 LYS N N 67 122.359 122.359 120.767 1.592 18712 291 1 . 1 1 67 67 LYS HA H 67 4.391 4.391 4.555 -0.164 18712 292 1 . 1 1 67 67 LYS CA C 67 56.172 56.172 54.932 1.240 18712 293 1 . 1 1 67 67 LYS CB C 67 35.078 35.078 35.463 -0.385 18712 294 1 . 1 1 67 67 LYS H H 67 8.371 8.371 7.981 0.390 18712 295 1 . 1 1 68 68 GLY N N 68 109.563 109.563 107.842 1.721 18712 296 1 . 1 1 68 68 GLY CA C 68 44.922 44.922 44.267 0.655 18712 297 1 . 1 1 68 68 GLY H H 68 8.583 8.583 8.265 0.318 18712 298 1 . 1 1 69 69 VAL N N 69 118.378 118.378 118.190 0.188 18712 299 1 . 1 1 69 69 VAL HA H 69 4.032 4.032 4.069 -0.037 18712 300 1 . 1 1 69 69 VAL CA C 69 63.203 63.203 64.440 -1.237 18712 301 1 . 1 1 69 69 VAL CB C 69 32.266 32.266 32.075 0.191 18712 302 1 . 1 1 69 69 VAL H H 69 8.235 8.235 8.369 -0.134 18712 303 1 . 1 1 70 70 THR N N 70 114.484 114.484 114.792 -0.308 18712 304 1 . 1 1 70 70 THR HA H 70 4.281 4.281 4.205 0.076 18712 305 1 . 1 1 70 70 THR CA C 70 62.500 62.500 64.311 -1.811 18712 306 1 . 1 1 70 70 THR CB C 70 69.531 69.531 68.606 0.925 18712 307 1 . 1 1 70 70 THR H H 70 8.085 8.085 7.943 0.142 18712 308 1 . 1 1 71 71 GLU N N 71 121.656 121.656 120.515 1.141 18712 309 1 . 1 1 71 71 GLU HA H 71 4.325 4.325 4.425 -0.100 18712 310 1 . 1 1 71 71 GLU CA C 71 56.172 56.172 56.066 0.106 18712 311 1 . 1 1 71 71 GLU CB C 71 30.859 30.859 29.366 1.493 18712 312 1 . 1 1 71 71 GLU H H 71 8.175 8.175 8.155 0.020 18712 313 1 . 1 1 72 72 LEU N N 72 122.219 122.219 120.119 2.100 18712 314 1 . 1 1 72 72 LEU HA H 72 4.534 4.534 4.366 0.168 18712 315 1 . 1 1 72 72 LEU CA C 72 54.765 54.765 54.897 -0.132 18712 316 1 . 1 1 72 72 LEU CB C 72 42.812 42.812 43.098 -0.286 18712 317 1 . 1 1 72 72 LEU H H 72 7.770 7.770 7.500 0.270 18712 318 1 . 1 1 73 73 THR N N 73 114.407 114.407 111.633 2.774 18712 319 1 . 1 1 73 73 THR HA H 73 4.405 4.405 4.518 -0.113 18712 320 1 . 1 1 73 73 THR CA C 73 61.093 61.093 60.241 0.852 18712 321 1 . 1 1 73 73 THR CB C 73 70.937 70.937 71.103 -0.166 18712 322 1 . 1 1 73 73 THR H H 73 8.869 8.869 7.999 0.870 18712 323 1 . 1 1 74 74 ALA N N 74 123.782 123.782 124.120 -0.338 18712 324 1 . 1 1 74 74 ALA HA H 74 4.026 4.026 4.108 -0.082 18712 325 1 . 1 1 74 74 ALA CA C 74 55.468 55.468 54.877 0.591 18712 326 1 . 1 1 74 74 ALA CB C 74 18.203 18.203 18.451 -0.249 18712 327 1 . 1 1 74 74 ALA H H 74 8.831 8.831 8.764 0.067 18712 328 1 . 1 1 75 75 GLU N N 75 117.578 117.578 117.827 -0.249 18712 329 1 . 1 1 75 75 GLU HA H 75 4.043 4.043 4.050 -0.007 18712 330 1 . 1 1 75 75 GLU CA C 75 59.687 59.687 59.244 0.443 18712 331 1 . 1 1 75 75 GLU CB C 75 29.453 29.453 29.193 0.260 18712 332 1 . 1 1 75 75 GLU H H 75 8.637 8.637 8.461 0.176 18712 333 1 . 1 1 76 76 GLU N N 76 120.042 120.042 118.677 1.365 18712 334 1 . 1 1 76 76 GLU HA H 76 4.010 4.010 4.145 -0.135 18712 335 1 . 1 1 76 76 GLU CA C 76 58.281 58.281 58.593 -0.312 18712 336 1 . 1 1 76 76 GLU CB C 76 30.859 30.859 29.419 1.440 18712 337 1 . 1 1 76 76 GLU H H 76 7.847 7.847 7.636 0.211 18712 338 1 . 1 1 77 77 ARG N N 77 119.687 119.687 118.622 1.065 18712 339 1 . 1 1 77 77 ARG HA H 77 3.975 3.975 4.099 -0.124 18712 340 1 . 1 1 77 77 ARG CA C 77 58.984 58.984 59.051 -0.067 18712 341 1 . 1 1 77 77 ARG CB C 77 30.156 30.156 30.161 -0.005 18712 342 1 . 1 1 77 77 ARG H H 77 8.452 8.452 7.869 0.583 18712 343 1 . 1 1 78 78 LEU N N 78 120.250 120.250 117.893 2.357 18712 344 1 . 1 1 78 78 LEU HA H 78 4.210 4.210 4.412 -0.202 18712 345 1 . 1 1 78 78 LEU CA C 78 56.875 56.875 57.268 -0.393 18712 346 1 . 1 1 78 78 LEU CB C 78 42.109 42.109 41.715 0.394 18712 347 1 . 1 1 78 78 LEU H H 78 7.685 7.685 7.667 0.018 18712 348 1 . 1 1 79 79 LEU N N 79 119.265 119.265 120.460 -1.195 18712 349 1 . 1 1 79 79 LEU HA H 79 4.208 4.208 4.021 0.187 18712 350 1 . 1 1 79 79 LEU CA C 79 56.875 56.875 57.536 -0.661 18712 351 1 . 1 1 79 79 LEU CB C 79 42.109 42.109 41.291 0.818 18712 352 1 . 1 1 79 79 LEU H H 79 7.679 7.679 7.769 -0.089 18712 353 1 . 1 1 80 80 HIS N N 80 118.348 118.348 119.155 -0.807 18712 354 1 . 1 1 80 80 HIS HA H 80 4.422 4.422 4.266 0.156 18712 355 1 . 1 1 80 80 HIS CA C 80 57.578 57.578 59.515 -1.937 18712 356 1 . 1 1 80 80 HIS CB C 80 30.156 30.156 29.658 0.498 18712 357 1 . 1 1 80 80 HIS H H 80 8.127 8.127 7.837 0.290 18712 358 1 . 1 1 81 81 ALA N N 81 122.359 122.359 120.830 1.529 18712 359 1 . 1 1 81 81 ALA HA H 81 4.204 4.204 4.116 0.088 18712 360 1 . 1 1 81 81 ALA CA C 81 54.062 54.062 54.152 -0.090 18712 361 1 . 1 1 81 81 ALA CB C 81 18.906 18.906 18.265 0.641 18712 362 1 . 1 1 81 81 ALA H H 81 7.908 7.908 7.753 0.155 18712 363 1 . 1 1 82 82 ILE N N 82 117.705 117.705 118.183 -0.478 18712 364 1 . 1 1 82 82 ILE HA H 82 3.972 3.972 3.871 0.101 18712 365 1 . 1 1 82 82 ILE CA C 82 62.500 62.500 63.205 -0.705 18712 366 1 . 1 1 82 82 ILE CB C 82 38.594 38.594 37.568 1.026 18712 367 1 . 1 1 82 82 ILE H H 82 7.780 7.780 7.298 0.482 18712 368 1 . 1 1 83 83 PHE N N 83 120.528 120.528 118.492 2.036 18712 369 1 . 1 1 83 83 PHE HA H 83 4.633 4.633 4.362 0.271 18712 370 1 . 1 1 83 83 PHE CA C 83 58.281 58.281 59.345 -1.064 18712 371 1 . 1 1 83 83 PHE CB C 83 40.000 40.000 39.863 0.137 18712 372 1 . 1 1 83 83 PHE H H 83 8.227 8.227 8.153 0.073 18712 373 1 . 1 1 84 84 GLY N N 84 110.328 110.328 106.857 3.471 18712 374 1 . 1 1 84 84 GLY CA C 84 45.625 45.625 45.408 0.217 18712 375 1 . 1 1 84 84 GLY H H 84 8.157 8.157 8.007 0.150 18712 376 1 . 1 1 85 85 GLU N N 85 120.975 120.975 117.385 3.590 18712 377 1 . 1 1 85 85 GLU HA H 85 4.234 4.234 4.493 -0.259 18712 378 1 . 1 1 85 85 GLU CA C 85 57.226 57.226 54.828 2.398 18712 379 1 . 1 1 85 85 GLU CB C 85 30.156 30.156 32.361 -2.205 18712 380 1 . 1 1 85 85 GLU H H 85 8.374 8.374 7.836 0.538 18712 381 1 . 1 1 86 86 LYS N N 86 121.202 121.202 122.053 -0.851 18712 382 1 . 1 1 86 86 LYS HA H 86 4.291 4.291 4.347 -0.056 18712 383 1 . 1 1 86 86 LYS CA C 86 56.172 56.172 56.609 -0.437 18712 384 1 . 1 1 86 86 LYS CB C 86 32.969 32.969 32.605 0.364 18712 385 1 . 1 1 86 86 LYS H H 86 8.230 8.230 8.469 -0.239 18712 386 1 . 1 1 87 87 ALA N N 87 124.596 124.596 126.141 -1.545 18712 387 1 . 1 1 87 87 ALA HA H 87 4.236 4.236 4.527 -0.291 18712 388 1 . 1 1 87 87 ALA CA C 87 52.656 52.656 51.332 1.324 18712 389 1 . 1 1 87 87 ALA CB C 87 19.610 19.610 20.593 -0.983 18712 390 1 . 1 1 87 87 ALA H H 87 8.179 8.179 8.260 -0.081 18712 391 1 . 1 1 88 88 ARG N N 88 120.688 120.688 121.834 -1.146 18712 392 1 . 1 1 88 88 ARG HA H 88 4.344 4.344 4.397 -0.053 18712 393 1 . 1 1 88 88 ARG CA C 88 56.172 56.172 55.827 0.345 18712 394 1 . 1 1 88 88 ARG CB C 88 30.859 30.859 30.857 0.002 18712 395 1 . 1 1 88 88 ARG H H 88 8.274 8.274 8.418 -0.144 18712 396 1 . 1 1 89 89 GLU N N 89 124.469 124.469 123.114 1.355 18712 397 1 . 1 1 89 89 GLU HA H 89 4.575 4.575 4.609 -0.034 18712 398 1 . 1 1 89 89 GLU CA C 89 55.468 55.468 55.534 -0.066 18712 399 1 . 1 1 89 89 GLU CB C 89 30.156 30.156 31.774 -1.618 18712 400 1 . 1 1 89 89 GLU H H 89 8.632 8.632 8.592 0.040 18712 401 1 . 1 1 90 90 VAL N N 90 114.440 114.440 118.356 -3.916 18712 402 1 . 1 1 90 90 VAL HA H 90 5.047 5.047 4.541 0.506 18712 403 1 . 1 1 90 90 VAL CA C 90 58.984 58.984 59.818 -0.834 18712 404 1 . 1 1 90 90 VAL CB C 90 36.484 36.484 34.877 1.607 18712 405 1 . 1 1 90 90 VAL H H 90 8.246 8.246 8.317 -0.071 18712 406 1 . 1 1 91 91 ARG N N 91 118.602 118.602 122.154 -3.552 18712 407 1 . 1 1 91 91 ARG HA H 91 4.771 4.771 4.643 0.128 18712 408 1 . 1 1 91 91 ARG CB C 91 33.672 33.672 32.888 0.784 18712 409 1 . 1 1 91 91 ARG H H 91 9.062 9.062 8.740 0.322 18712 410 1 . 1 1 92 92 ASP N N 92 121.656 121.656 124.451 -2.795 18712 411 1 . 1 1 92 92 ASP HA H 92 4.754 4.754 4.686 0.068 18712 412 1 . 1 1 92 92 ASP CB C 92 41.406 41.406 40.339 1.067 18712 413 1 . 1 1 92 92 ASP H H 92 8.770 8.770 8.663 0.107 18712 414 1 . 1 1 93 93 THR N N 93 124.654 124.654 113.542 11.112 18712 415 1 . 1 1 93 93 THR HA H 93 4.586 4.586 4.438 0.148 18712 416 1 . 1 1 93 93 THR CA C 93 60.390 60.390 61.081 -0.691 18712 417 1 . 1 1 93 93 THR CB C 93 66.718 66.718 69.517 -2.799 18712 418 1 . 1 1 93 93 THR H H 93 9.253 9.253 8.025 1.228 18712 419 1 . 1 1 94 94 SER N N 94 117.437 117.437 117.280 0.157 18712 420 1 . 1 1 94 94 SER HA H 94 4.455 4.455 4.416 0.039 18712 421 1 . 1 1 94 94 SER CA C 94 60.390 60.390 58.840 1.550 18712 422 1 . 1 1 94 94 SER CB C 94 63.906 63.906 64.120 -0.214 18712 423 1 . 1 1 94 94 SER H H 94 8.564 8.564 7.613 0.951 18712 424 1 . 1 1 95 95 LEU N N 95 125.594 125.594 119.473 6.121 18712 425 1 . 1 1 95 95 LEU HA H 95 4.684 4.684 4.501 0.183 18712 426 1 . 1 1 95 95 LEU CB C 95 43.516 43.516 43.019 0.497 18712 427 1 . 1 1 95 95 LEU H H 95 8.964 8.964 8.319 0.644 18712 428 1 . 1 1 96 96 ARG N N 96 128.669 128.669 122.268 6.400 18712 429 1 . 1 1 96 96 ARG HA H 96 5.061 5.061 4.518 0.543 18712 430 1 . 1 1 96 96 ARG CA C 96 54.062 54.062 55.311 -1.249 18712 431 1 . 1 1 96 96 ARG CB C 96 34.375 34.375 30.799 3.576 18712 432 1 . 1 1 96 96 ARG H H 96 8.709 8.709 8.439 0.270 18712 433 1 . 1 1 97 97 VAL N N 97 121.375 121.375 125.922 -4.547 18712 434 1 . 1 1 97 97 VAL HA H 97 3.386 3.386 4.461 -1.075 18712 435 1 . 1 1 97 97 VAL CA C 97 61.093 61.093 58.954 2.139 18712 436 1 . 1 1 97 97 VAL CB C 97 32.266 32.266 34.038 -1.772 18712 437 1 . 1 1 97 97 VAL H H 97 8.745 8.745 8.463 0.282 18712 438 1 . 1 1 98 98 PRO HA H 98 4.543 4.543 4.542 0.001 18712 439 1 . 1 1 98 98 PRO CA C 98 62.500 62.500 62.348 0.152 18712 440 1 . 1 1 98 98 PRO CB C 98 32.969 32.969 32.503 0.466 18712 441 1 . 1 1 99 99 HIS N N 99 118.140 118.140 117.064 1.076 18712 442 1 . 1 1 99 99 HIS HA H 99 4.272 4.272 4.451 -0.179 18712 443 1 . 1 1 99 99 HIS CA C 99 58.281 58.281 56.960 1.321 18712 444 1 . 1 1 99 99 HIS CB C 99 30.156 30.156 29.617 0.539 18712 445 1 . 1 1 99 99 HIS H H 99 8.368 8.368 8.310 0.058 18712 446 1 . 1 1 100 100 GLY N N 100 116.101 116.101 115.324 0.777 18712 447 1 . 1 1 100 100 GLY CA C 100 45.625 45.625 45.368 0.257 18712 448 1 . 1 1 100 100 GLY H H 100 9.411 9.411 8.890 0.521 18712 449 1 . 1 1 101 101 GLY N N 101 108.798 108.798 109.771 -0.973 18712 450 1 . 1 1 101 101 GLY CA C 101 45.625 45.625 45.505 0.120 18712 451 1 . 1 1 101 101 GLY H H 101 8.399 8.399 7.866 0.533 18712 452 1 . 1 1 102 102 GLY N N 102 105.967 105.967 108.989 -3.022 18712 453 1 . 1 1 102 102 GLY CA C 102 45.625 45.625 45.343 0.281 18712 454 1 . 1 1 102 102 GLY H H 102 8.310 8.310 8.175 0.135 18712 455 1 . 1 1 103 103 GLY N N 103 107.574 107.574 107.227 0.347 18712 456 1 . 1 1 103 103 GLY CA C 103 46.328 46.328 43.701 2.627 18712 457 1 . 1 1 103 103 GLY H H 103 8.075 8.075 7.537 0.538 18712 458 1 . 1 1 104 104 ILE N N 104 122.219 122.219 118.536 3.683 18712 459 1 . 1 1 104 104 ILE HA H 104 5.075 5.075 4.415 0.660 18712 460 1 . 1 1 104 104 ILE CA C 104 58.281 58.281 60.208 -1.927 18712 461 1 . 1 1 104 104 ILE CB C 104 40.703 40.703 42.564 -1.861 18712 462 1 . 1 1 104 104 ILE H H 104 8.269 8.269 7.655 0.614 18712 463 1 . 1 1 105 105 ILE N N 105 124.237 124.237 124.733 -0.496 18712 464 1 . 1 1 105 105 ILE HA H 105 4.312 4.312 4.277 0.035 18712 465 1 . 1 1 105 105 ILE CA C 105 60.390 60.390 61.193 -0.803 18712 466 1 . 1 1 105 105 ILE CB C 105 34.375 34.375 35.080 -0.705 18712 467 1 . 1 1 105 105 ILE H H 105 8.965 8.965 8.375 0.590 18712 468 1 . 1 1 106 106 HIS N N 106 135.053 135.053 128.466 6.587 18712 469 1 . 1 1 106 106 HIS HA H 106 4.506 4.506 4.709 -0.203 18712 470 1 . 1 1 106 106 HIS CA C 106 57.578 57.578 56.414 1.164 18712 471 1 . 1 1 106 106 HIS CB C 106 33.672 33.672 31.785 1.887 18712 472 1 . 1 1 106 106 HIS H H 106 9.604 9.604 8.462 1.142 18712 473 1 . 1 1 107 107 ASP N N 107 112.528 112.528 118.746 -6.218 18712 474 1 . 1 1 107 107 ASP HA H 107 4.707 4.707 4.761 -0.054 18712 475 1 . 1 1 107 107 ASP CB C 107 42.812 42.812 44.983 -2.171 18712 476 1 . 1 1 107 107 ASP H H 107 7.930 7.930 7.751 0.178 18712 477 1 . 1 1 108 108 VAL N N 108 121.656 121.656 120.203 1.453 18712 478 1 . 1 1 108 108 VAL HA H 108 5.028 5.028 4.512 0.516 18712 479 1 . 1 1 108 108 VAL CA C 108 61.796 61.796 61.325 0.471 18712 480 1 . 1 1 108 108 VAL CB C 108 36.484 36.484 35.053 1.431 18712 481 1 . 1 1 108 108 VAL H H 108 8.325 8.325 8.338 -0.013 18712 482 1 . 1 1 109 109 LYS N N 109 126.798 126.798 128.032 -1.234 18712 483 1 . 1 1 109 109 LYS HA H 109 4.676 4.676 4.604 0.072 18712 484 1 . 1 1 109 109 LYS CB C 109 37.187 37.187 34.697 2.490 18712 485 1 . 1 1 109 109 LYS H H 109 9.417 9.417 8.609 0.808 18712 486 1 . 1 1 110 110 VAL N N 110 121.892 121.892 123.161 -1.269 18712 487 1 . 1 1 110 110 VAL HA H 110 4.676 4.676 4.330 0.346 18712 488 1 . 1 1 110 110 VAL CB C 110 33.672 33.672 33.938 -0.266 18712 489 1 . 1 1 110 110 VAL H H 110 8.206 8.206 8.171 0.035 18712 490 1 . 1 1 111 111 PHE N N 111 126.578 126.578 127.613 -1.035 18712 491 1 . 1 1 111 111 PHE HA H 111 4.995 4.995 4.820 0.175 18712 492 1 . 1 1 111 111 PHE CA C 111 56.172 56.172 55.904 0.268 18712 493 1 . 1 1 111 111 PHE CB C 111 42.109 42.109 41.270 0.839 18712 494 1 . 1 1 111 111 PHE H H 111 9.459 9.459 9.059 0.400 18712 495 1 . 1 1 112 112 ASN N N 112 121.797 121.797 119.824 1.973 18712 496 1 . 1 1 112 112 ASN HA H 112 5.425 5.425 5.123 0.302 18712 497 1 . 1 1 112 112 ASN CA C 112 52.656 52.656 52.016 0.640 18712 498 1 . 1 1 112 112 ASN CB C 112 42.109 42.109 41.920 0.189 18712 499 1 . 1 1 112 112 ASN H H 112 10.663 10.663 8.685 1.978 18712 500 1 . 1 1 113 113 ARG N N 113 130.516 130.516 125.115 5.401 18712 501 1 . 1 1 113 113 ARG HA H 113 4.435 4.435 4.350 0.085 18712 502 1 . 1 1 113 113 ARG CA C 113 59.687 59.687 59.021 0.666 18712 503 1 . 1 1 113 113 ARG CB C 113 30.859 30.859 30.078 0.781 18712 504 1 . 1 1 113 113 ARG H H 113 9.138 9.138 8.970 0.168 18712 505 1 . 1 1 114 114 GLU N N 114 119.008 119.008 118.971 0.037 18712 506 1 . 1 1 114 114 GLU HA H 114 4.142 4.142 4.111 0.031 18712 507 1 . 1 1 114 114 GLU CA C 114 58.281 58.281 58.627 -0.346 18712 508 1 . 1 1 114 114 GLU CB C 114 29.453 29.453 28.937 0.516 18712 509 1 . 1 1 114 114 GLU H H 114 8.924 8.924 8.273 0.651 18712 510 1 . 1 1 115 115 ASP N N 115 116.593 116.593 117.710 -1.116 18712 511 1 . 1 1 115 115 ASP HA H 115 4.869 4.869 4.568 0.301 18712 512 1 . 1 1 115 115 ASP CA C 115 54.062 54.062 54.361 -0.299 18712 513 1 . 1 1 115 115 ASP CB C 115 42.109 42.109 41.543 0.566 18712 514 1 . 1 1 115 115 ASP H H 115 7.356 7.356 7.750 -0.394 18712 515 1 . 1 1 116 116 GLY N N 116 106.689 106.689 107.522 -0.833 18712 516 1 . 1 1 116 116 GLY CA C 116 44.922 44.922 44.618 0.304 18712 517 1 . 1 1 116 116 GLY H H 116 7.918 7.918 7.708 0.210 18712 518 1 . 1 1 117 117 ASP N N 117 119.329 119.329 121.577 -2.248 18712 519 1 . 1 1 117 117 ASP HA H 117 4.632 4.632 4.697 -0.065 18712 520 1 . 1 1 117 117 ASP CA C 117 55.468 55.468 53.620 1.848 18712 521 1 . 1 1 117 117 ASP CB C 117 41.406 41.406 41.695 -0.289 18712 522 1 . 1 1 117 117 ASP H H 117 7.220 7.220 7.835 -0.615 18712 523 1 . 1 1 118 118 GLU N N 118 123.484 123.484 124.837 -1.353 18712 524 1 . 1 1 118 118 GLU HA H 118 4.240 4.240 4.342 -0.102 18712 525 1 . 1 1 118 118 GLU CA C 118 56.875 56.875 56.797 0.078 18712 526 1 . 1 1 118 118 GLU CB C 118 29.453 29.453 30.510 -1.058 18712 527 1 . 1 1 118 118 GLU H H 118 8.626 8.626 8.541 0.085 18712 528 1 . 1 1 119 119 LEU N N 119 129.139 129.139 125.927 3.212 18712 529 1 . 1 1 119 119 LEU HA H 119 4.759 4.759 4.747 0.012 18712 530 1 . 1 1 119 119 LEU CB C 119 44.219 44.219 43.860 0.359 18712 531 1 . 1 1 119 119 LEU H H 119 8.106 8.106 8.256 -0.150 18712 532 1 . 1 1 120 120 PRO CB C 120 31.914 31.914 30.973 0.941 18712 533 1 . 1 1 121 121 PRO HA H 121 4.269 4.269 4.337 -0.068 18712 534 1 . 1 1 121 121 PRO CA C 121 63.906 63.906 63.709 0.197 18712 535 1 . 1 1 121 121 PRO CB C 121 31.563 31.563 31.178 0.384 18712 536 1 . 1 1 122 122 GLY N N 122 112.656 112.656 111.528 1.128 18712 537 1 . 1 1 122 122 GLY CA C 122 45.625 45.625 44.920 0.705 18712 538 1 . 1 1 122 122 GLY H H 122 8.827 8.827 8.689 0.138 18712 539 1 . 1 1 123 123 VAL N N 123 119.406 119.406 119.532 -0.126 18712 540 1 . 1 1 123 123 VAL HA H 123 4.017 4.017 4.577 -0.560 18712 541 1 . 1 1 123 123 VAL CA C 123 62.851 62.851 61.465 1.386 18712 542 1 . 1 1 123 123 VAL CB C 123 32.266 32.266 33.482 -1.216 18712 543 1 . 1 1 123 123 VAL H H 123 7.845 7.845 7.411 0.434 18712 544 1 . 1 1 124 124 ASN N N 124 124.609 124.609 120.913 3.696 18712 545 1 . 1 1 124 124 ASN HA H 124 4.877 4.877 4.909 -0.032 18712 546 1 . 1 1 124 124 ASN CA C 124 54.765 54.765 53.316 1.449 18712 547 1 . 1 1 124 124 ASN CB C 124 40.000 40.000 41.135 -1.135 18712 548 1 . 1 1 124 124 ASN H H 124 9.206 9.206 8.757 0.449 18712 549 1 . 1 1 125 125 GLN N N 125 117.959 117.959 115.176 2.783 18712 550 1 . 1 1 125 125 GLN HA H 125 5.234 5.234 4.650 0.584 18712 551 1 . 1 1 125 125 GLN CA C 125 56.172 56.172 55.221 0.951 18712 552 1 . 1 1 125 125 GLN CB C 125 33.672 33.672 33.124 0.547 18712 553 1 . 1 1 125 125 GLN H H 125 7.756 7.756 7.597 0.159 18712 554 1 . 1 1 126 126 LEU N N 126 125.559 125.559 122.331 3.228 18712 555 1 . 1 1 126 126 LEU HA H 126 5.261 5.261 4.956 0.305 18712 556 1 . 1 1 126 126 LEU CA C 126 54.765 54.765 54.619 0.146 18712 557 1 . 1 1 126 126 LEU CB C 126 47.734 47.734 46.117 1.617 18712 558 1 . 1 1 126 126 LEU H H 126 8.866 8.866 8.279 0.587 18712 559 1 . 1 1 127 127 VAL N N 127 126.578 126.578 125.636 0.942 18712 560 1 . 1 1 127 127 VAL HA H 127 5.127 5.127 4.691 0.436 18712 561 1 . 1 1 127 127 VAL CA C 127 60.390 60.390 60.368 0.022 18712 562 1 . 1 1 127 127 VAL CB C 127 35.078 35.078 35.593 -0.515 18712 563 1 . 1 1 127 127 VAL H H 127 9.367 9.367 8.963 0.404 18712 564 1 . 1 1 128 128 ARG N N 128 126.578 126.578 125.711 0.867 18712 565 1 . 1 1 128 128 ARG HA H 128 5.259 5.259 5.168 0.091 18712 566 1 . 1 1 128 128 ARG CA C 128 54.765 54.765 54.147 0.618 18712 567 1 . 1 1 128 128 ARG CB C 128 33.672 33.672 34.276 -0.604 18712 568 1 . 1 1 128 128 ARG H H 128 9.502 9.502 8.865 0.637 18712 569 1 . 1 1 129 129 VAL N N 129 123.977 123.977 120.624 3.353 18712 570 1 . 1 1 129 129 VAL HA H 129 4.489 4.489 4.398 0.091 18712 571 1 . 1 1 129 129 VAL CA C 129 61.093 61.093 61.384 -0.291 18712 572 1 . 1 1 129 129 VAL CB C 129 35.078 35.078 34.264 0.814 18712 573 1 . 1 1 129 129 VAL H H 129 9.051 9.051 8.159 0.892 18712 574 1 . 1 1 130 130 TYR N N 130 124.673 124.673 123.472 1.201 18712 575 1 . 1 1 130 130 TYR HA H 130 5.419 5.419 5.045 0.374 18712 576 1 . 1 1 130 130 TYR CA C 130 56.172 56.172 56.520 -0.348 18712 577 1 . 1 1 130 130 TYR CB C 130 39.297 39.297 40.575 -1.278 18712 578 1 . 1 1 130 130 TYR H H 130 8.650 8.650 8.628 0.022 18712 579 1 . 1 1 131 131 ILE N N 131 125.227 125.227 123.863 1.364 18712 580 1 . 1 1 131 131 ILE HA H 131 4.869 4.869 4.707 0.162 18712 581 1 . 1 1 131 131 ILE CB C 131 40.000 40.000 41.522 -1.522 18712 582 1 . 1 1 131 131 ILE H H 131 9.509 9.509 8.695 0.814 18712 583 1 . 1 1 132 132 VAL N N 132 126.859 126.859 124.145 2.714 18712 584 1 . 1 1 132 132 VAL HA H 132 4.729 4.729 4.952 -0.223 18712 585 1 . 1 1 132 132 VAL CA C 132 61.093 61.093 59.870 1.223 18712 586 1 . 1 1 132 132 VAL CB C 132 33.672 33.672 32.950 0.722 18712 587 1 . 1 1 132 132 VAL H H 132 9.606 9.606 8.045 1.561 18712 588 1 . 1 1 133 133 GLN N N 133 128.406 128.406 126.426 1.980 18712 589 1 . 1 1 133 133 GLN HA H 133 4.751 4.751 4.506 0.245 18712 590 1 . 1 1 133 133 GLN CA C 133 54.765 54.765 55.307 -0.542 18712 591 1 . 1 1 133 133 GLN CB C 133 31.563 31.563 29.383 2.180 18712 592 1 . 1 1 133 133 GLN H H 133 9.153 9.153 8.362 0.791 18712 593 1 . 1 1 134 134 LYS N N 134 122.929 122.929 124.682 -1.753 18712 594 1 . 1 1 134 134 LYS HA H 134 4.725 4.725 4.396 0.329 18712 595 1 . 1 1 134 134 LYS CA C 134 56.172 56.172 55.892 0.280 18712 596 1 . 1 1 134 134 LYS CB C 134 33.320 33.320 33.428 -0.108 18712 597 1 . 1 1 134 134 LYS H H 134 8.561 8.561 8.397 0.164 18712 598 1 . 1 1 135 135 ARG N N 135 123.484 123.484 122.458 1.026 18712 599 1 . 1 1 135 135 ARG HA H 135 4.503 4.503 4.364 0.139 18712 600 1 . 1 1 135 135 ARG CA C 135 55.468 55.468 55.763 -0.295 18712 601 1 . 1 1 135 135 ARG CB C 135 32.266 32.266 31.129 1.136 18712 602 1 . 1 1 135 135 ARG H H 135 8.596 8.596 8.396 0.200 18712 603 1 . 1 1 136 136 LYS N N 136 123.906 123.906 121.170 2.736 18712 604 1 . 1 1 136 136 LYS HA H 136 4.467 4.467 4.392 0.075 18712 605 1 . 1 1 136 136 LYS CA C 136 56.172 56.172 55.705 0.467 18712 606 1 . 1 1 136 136 LYS CB C 136 32.969 32.969 33.513 -0.544 18712 607 1 . 1 1 136 136 LYS H H 136 8.608 8.608 8.279 0.329 18712 608 1 . 1 1 137 137 ILE N N 137 123.571 123.571 118.421 5.150 18712 609 1 . 1 1 137 137 ILE HA H 137 4.184 4.184 4.093 0.091 18712 610 1 . 1 1 137 137 ILE CA C 137 61.093 61.093 61.216 -0.123 18712 611 1 . 1 1 137 137 ILE CB C 137 38.594 38.594 38.601 -0.007 18712 612 1 . 1 1 137 137 ILE H H 137 8.353 8.353 8.187 0.166 18712 613 1 . 1 1 138 138 SER N N 138 119.547 119.547 117.948 1.599 18712 614 1 . 1 1 138 138 SER HA H 138 4.503 4.503 4.406 0.097 18712 615 1 . 1 1 138 138 SER CA C 138 58.281 58.281 58.631 -0.350 18712 616 1 . 1 1 138 138 SER CB C 138 63.906 63.906 63.442 0.464 18712 617 1 . 1 1 138 138 SER H H 138 8.410 8.410 8.269 0.141 18712 618 1 . 1 1 139 139 GLU N N 139 123.281 123.281 126.437 -3.156 18712 619 1 . 1 1 139 139 GLU HA H 139 4.307 4.307 4.326 -0.019 18712 620 1 . 1 1 139 139 GLU CA C 139 56.875 56.875 56.825 0.050 18712 621 1 . 1 1 139 139 GLU CB C 139 30.156 30.156 30.187 -0.031 18712 622 1 . 1 1 139 139 GLU H H 139 8.489 8.489 8.670 -0.181 18712 623 1 . 1 1 140 140 GLY N N 140 109.792 109.792 109.785 0.007 18712 624 1 . 1 1 140 140 GLY CA C 140 45.625 45.625 45.064 0.561 18712 625 1 . 1 1 140 140 GLY H H 140 8.418 8.418 8.555 -0.137 18712 stop_ save_