data_18292 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18292 _Entry.PDB_ID 2LQ5 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 18292 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLN N N 2 125.719 125.719 121.707 4.012 18292 2 1 1 . 1 1 2 2 GLN HA H 2 4.571 4.571 4.802 -0.231 18292 3 1 1 . 1 1 2 2 GLN CA C 2 50.502 50.502 54.188 -3.686 18292 4 1 1 . 1 1 2 2 GLN CB C 2 26.254 26.254 30.177 -3.923 18292 5 1 1 . 1 1 2 2 GLN H H 2 8.471 8.471 7.861 0.610 18292 6 1 1 . 1 1 3 3 PRO HA H 3 4.311 4.311 4.393 -0.082 18292 7 1 1 . 1 1 3 3 PRO C C 3 173.634 173.634 175.737 -2.103 18292 8 1 1 . 1 1 3 3 PRO CA C 3 60.349 60.349 63.268 -2.919 18292 9 1 1 . 1 1 3 3 PRO CB C 3 29.678 29.678 30.846 -1.168 18292 10 1 1 . 1 1 4 4 LEU N N 4 122.253 122.253 124.985 -2.732 18292 11 1 1 . 1 1 4 4 LEU HA H 4 4.133 4.133 4.504 -0.371 18292 12 1 1 . 1 1 4 4 LEU C C 4 172.946 172.946 175.749 -2.803 18292 13 1 1 . 1 1 4 4 LEU CA C 4 51.900 51.900 54.526 -2.626 18292 14 1 1 . 1 1 4 4 LEU CB C 4 39.711 39.711 41.543 -1.832 18292 15 1 1 . 1 1 4 4 LEU H H 4 7.912 7.912 7.927 -0.015 18292 16 1 1 . 1 1 5 5 ALA N N 5 122.619 122.619 126.555 -3.936 18292 17 1 1 . 1 1 5 5 ALA HA H 5 2.385 2.385 4.057 -1.672 18292 18 1 1 . 1 1 5 5 ALA C C 5 174.164 174.164 177.091 -2.927 18292 19 1 1 . 1 1 5 5 ALA CA C 5 49.205 49.205 51.884 -2.679 18292 20 1 1 . 1 1 5 5 ALA CB C 5 17.058 17.058 18.136 -1.077 18292 21 1 1 . 1 1 5 5 ALA H H 5 7.415 7.415 8.280 -0.865 18292 22 1 1 . 1 1 6 6 THR N N 6 112.768 112.768 114.129 -1.361 18292 23 1 1 . 1 1 6 6 THR HA H 6 4.393 4.393 4.507 -0.114 18292 24 1 1 . 1 1 6 6 THR C C 6 168.908 168.908 175.432 -6.524 18292 25 1 1 . 1 1 6 6 THR CA C 6 56.371 56.371 59.902 -3.531 18292 26 1 1 . 1 1 6 6 THR CB C 6 68.874 68.874 70.749 -1.875 18292 27 1 1 . 1 1 6 6 THR H H 6 6.601 6.601 7.861 -1.260 18292 28 1 1 . 1 1 7 7 GLN N N 7 111.707 111.707 117.530 -5.823 18292 29 1 1 . 1 1 7 7 GLN HA H 7 4.344 4.344 4.380 -0.036 18292 30 1 1 . 1 1 7 7 GLN C C 7 171.068 171.068 175.221 -4.153 18292 31 1 1 . 1 1 7 7 GLN CA C 7 53.795 53.795 56.230 -2.435 18292 32 1 1 . 1 1 7 7 GLN CB C 7 28.252 28.252 27.904 0.348 18292 33 1 1 . 1 1 7 7 GLN H H 7 8.547 8.547 8.809 -0.262 18292 34 1 1 . 1 1 8 8 CYS N N 8 118.669 118.669 117.414 1.255 18292 35 1 1 . 1 1 8 8 CYS HA H 8 5.389 5.389 5.154 0.234 18292 36 1 1 . 1 1 8 8 CYS C C 8 171.026 171.026 173.316 -2.290 18292 37 1 1 . 1 1 8 8 CYS CA C 8 53.652 53.652 57.415 -3.763 18292 38 1 1 . 1 1 8 8 CYS CB C 8 29.416 29.416 31.431 -2.015 18292 39 1 1 . 1 1 8 8 CYS H H 8 8.558 8.558 7.489 1.069 18292 40 1 1 . 1 1 9 9 PHE N N 9 117.117 117.117 117.704 -0.587 18292 41 1 1 . 1 1 9 9 PHE HA H 9 5.369 5.369 5.165 0.204 18292 42 1 1 . 1 1 9 9 PHE C C 9 168.313 168.313 172.566 -4.253 18292 43 1 1 . 1 1 9 9 PHE CA C 9 53.341 53.341 56.142 -2.801 18292 44 1 1 . 1 1 9 9 PHE CB C 9 39.008 39.008 41.908 -2.900 18292 45 1 1 . 1 1 9 9 PHE H H 9 9.533 9.533 8.704 0.829 18292 46 1 1 . 1 1 10 10 GLN N N 10 118.344 118.344 117.480 0.864 18292 47 1 1 . 1 1 10 10 GLN HA H 10 5.063 5.063 4.794 0.269 18292 48 1 1 . 1 1 10 10 GLN C C 10 173.280 173.280 174.462 -1.182 18292 49 1 1 . 1 1 10 10 GLN CA C 10 50.242 50.242 54.102 -3.860 18292 50 1 1 . 1 1 10 10 GLN CB C 10 30.263 30.263 31.626 -1.363 18292 51 1 1 . 1 1 10 10 GLN H H 10 9.299 9.299 9.061 0.238 18292 52 1 1 . 1 1 11 11 LEU N N 11 128.664 128.664 125.031 3.633 18292 53 1 1 . 1 1 11 11 LEU HA H 11 5.474 5.474 4.862 0.612 18292 54 1 1 . 1 1 11 11 LEU C C 11 173.987 173.987 177.843 -3.856 18292 55 1 1 . 1 1 11 11 LEU CA C 11 50.153 50.153 54.566 -4.413 18292 56 1 1 . 1 1 11 11 LEU CB C 11 41.779 41.779 43.288 -1.509 18292 57 1 1 . 1 1 11 11 LEU H H 11 9.679 9.679 8.222 1.457 18292 58 1 1 . 1 1 12 12 SER N N 12 115.661 115.661 114.511 1.150 18292 59 1 1 . 1 1 12 12 SER HA H 12 4.877 4.877 4.633 0.244 18292 60 1 1 . 1 1 12 12 SER C C 12 170.086 170.086 172.681 -2.595 18292 61 1 1 . 1 1 12 12 SER CA C 12 54.698 54.698 57.807 -3.109 18292 62 1 1 . 1 1 12 12 SER CB C 12 63.054 63.054 63.672 -0.618 18292 63 1 1 . 1 1 12 12 SER H H 12 8.717 8.717 8.064 0.653 18292 64 1 1 . 1 1 13 13 ASN N N 13 114.812 114.812 117.766 -2.954 18292 65 1 1 . 1 1 13 13 ASN HA H 13 4.165 4.165 4.519 -0.354 18292 66 1 1 . 1 1 13 13 ASN C C 13 171.867 171.867 173.035 -1.168 18292 67 1 1 . 1 1 13 13 ASN CA C 13 51.269 51.269 53.539 -2.270 18292 68 1 1 . 1 1 13 13 ASN CB C 13 34.988 34.988 39.108 -4.120 18292 69 1 1 . 1 1 13 13 ASN H H 13 8.563 8.563 7.554 1.009 18292 70 1 1 . 1 1 14 14 MET N N 14 113.100 113.100 117.435 -4.335 18292 71 1 1 . 1 1 14 14 MET HA H 14 4.258 4.258 3.623 0.635 18292 72 1 1 . 1 1 14 14 MET C C 14 171.935 171.935 173.946 -2.011 18292 73 1 1 . 1 1 14 14 MET CA C 14 53.020 53.020 54.689 -1.669 18292 74 1 1 . 1 1 14 14 MET CB C 14 29.746 29.746 34.506 -4.760 18292 75 1 1 . 1 1 14 14 MET H H 14 8.261 8.261 7.493 0.768 18292 76 1 1 . 1 1 15 15 PHE N N 15 108.769 108.769 111.720 -2.951 18292 77 1 1 . 1 1 15 15 PHE HA H 15 4.485 4.485 4.807 -0.322 18292 78 1 1 . 1 1 15 15 PHE C C 15 170.024 170.024 172.865 -2.841 18292 79 1 1 . 1 1 15 15 PHE CA C 15 53.080 53.080 56.048 -2.968 18292 80 1 1 . 1 1 15 15 PHE CB C 15 36.300 36.300 39.585 -3.285 18292 81 1 1 . 1 1 15 15 PHE H H 15 6.804 6.804 6.822 -0.017 18292 82 1 1 . 1 1 16 16 ASN N N 16 117.922 117.922 117.742 0.180 18292 83 1 1 . 1 1 16 16 ASN HA H 16 4.932 4.932 5.314 -0.382 18292 84 1 1 . 1 1 16 16 ASN CA C 16 47.510 47.510 50.576 -3.066 18292 85 1 1 . 1 1 16 16 ASN CB C 16 36.512 36.512 40.413 -3.901 18292 86 1 1 . 1 1 16 16 ASN H H 16 8.681 8.681 8.714 -0.033 18292 87 1 1 . 1 1 17 17 PRO HA H 17 4.102 4.102 4.661 -0.559 18292 88 1 1 . 1 1 17 17 PRO C C 17 174.773 174.773 176.485 -1.712 18292 89 1 1 . 1 1 17 17 PRO CA C 17 61.933 61.933 64.440 -2.507 18292 90 1 1 . 1 1 17 17 PRO CB C 17 29.557 29.557 32.331 -2.773 18292 91 1 1 . 1 1 18 18 GLN N N 18 116.462 116.462 116.256 0.206 18292 92 1 1 . 1 1 18 18 GLN HA H 18 4.146 4.146 4.530 -0.384 18292 93 1 1 . 1 1 18 18 GLN C C 18 174.423 174.423 174.697 -0.274 18292 94 1 1 . 1 1 18 18 GLN CA C 18 54.067 54.067 55.404 -1.337 18292 95 1 1 . 1 1 18 18 GLN CB C 18 26.326 26.326 30.091 -3.765 18292 96 1 1 . 1 1 18 18 GLN H H 18 7.934 7.934 8.153 -0.219 18292 97 1 1 . 1 1 19 19 THR N N 19 112.362 112.362 115.285 -2.923 18292 98 1 1 . 1 1 19 19 THR HA H 19 4.176 4.176 4.513 -0.337 18292 99 1 1 . 1 1 19 19 THR C C 19 171.908 171.908 172.929 -1.021 18292 100 1 1 . 1 1 19 19 THR CA C 19 59.509 59.509 62.117 -2.608 18292 101 1 1 . 1 1 19 19 THR CB C 19 66.360 66.360 69.170 -2.810 18292 102 1 1 . 1 1 19 19 THR H H 19 7.723 7.723 7.732 -0.009 18292 103 1 1 . 1 1 20 20 GLU N N 20 120.326 120.326 121.826 -1.500 18292 104 1 1 . 1 1 20 20 GLU HA H 20 3.658 3.658 4.168 -0.510 18292 105 1 1 . 1 1 20 20 GLU C C 20 173.311 173.311 175.299 -1.988 18292 106 1 1 . 1 1 20 20 GLU CA C 20 53.164 53.164 55.543 -2.379 18292 107 1 1 . 1 1 20 20 GLU CB C 20 25.837 25.837 30.233 -4.396 18292 108 1 1 . 1 1 20 20 GLU H H 20 7.312 7.312 7.714 -0.402 18292 109 1 1 . 1 1 21 21 GLU N N 21 120.796 120.796 122.463 -1.667 18292 110 1 1 . 1 1 21 21 GLU HA H 21 4.162 4.162 4.432 -0.270 18292 111 1 1 . 1 1 21 21 GLU C C 21 173.747 173.747 175.871 -2.124 18292 112 1 1 . 1 1 21 21 GLU CA C 21 53.873 53.873 56.272 -2.399 18292 113 1 1 . 1 1 21 21 GLU CB C 21 28.445 28.445 30.484 -2.039 18292 114 1 1 . 1 1 21 21 GLU H H 21 8.011 8.011 8.439 -0.428 18292 115 1 1 . 1 1 22 22 GLU N N 22 121.370 121.370 119.801 1.569 18292 116 1 1 . 1 1 22 22 GLU HA H 22 4.393 4.393 4.560 -0.167 18292 117 1 1 . 1 1 22 22 GLU C C 22 173.536 173.536 175.448 -1.912 18292 118 1 1 . 1 1 22 22 GLU CA C 22 52.982 52.982 55.418 -2.436 18292 119 1 1 . 1 1 22 22 GLU CB C 22 28.012 28.012 31.261 -3.249 18292 120 1 1 . 1 1 22 22 GLU H H 22 8.039 8.039 8.056 -0.017 18292 121 1 1 . 1 1 23 23 VAL N N 23 123.340 123.340 120.904 2.436 18292 122 1 1 . 1 1 23 23 VAL HA H 23 3.901 3.901 4.440 -0.539 18292 123 1 1 . 1 1 23 23 VAL C C 23 175.077 175.077 176.867 -1.790 18292 124 1 1 . 1 1 23 23 VAL CA C 23 61.540 61.540 62.323 -0.783 18292 125 1 1 . 1 1 23 23 VAL CB C 23 29.361 29.361 33.066 -3.704 18292 126 1 1 . 1 1 23 23 VAL H H 23 8.447 8.447 8.329 0.118 18292 127 1 1 . 1 1 24 24 GLY N N 24 114.476 114.476 116.435 -1.959 18292 128 1 1 . 1 1 24 24 GLY C C 24 173.717 173.717 175.450 -1.733 18292 129 1 1 . 1 1 24 24 GLY CA C 24 42.667 42.667 45.211 -2.544 18292 130 1 1 . 1 1 24 24 GLY H H 24 9.087 9.087 8.780 0.307 18292 131 1 1 . 1 1 25 25 TRP N N 25 121.382 121.382 120.685 0.697 18292 132 1 1 . 1 1 25 25 TRP HA H 25 4.214 4.214 4.641 -0.427 18292 133 1 1 . 1 1 25 25 TRP C C 25 174.056 174.056 176.165 -2.109 18292 134 1 1 . 1 1 25 25 TRP CA C 25 56.093 56.093 57.976 -1.883 18292 135 1 1 . 1 1 25 25 TRP CB C 25 25.016 25.016 28.493 -3.477 18292 136 1 1 . 1 1 26 26 ASP N N 26 118.789 118.789 119.799 -1.010 18292 137 1 1 . 1 1 26 26 ASP HA H 26 3.261 3.261 4.163 -0.902 18292 138 1 1 . 1 1 26 26 ASP C C 26 174.709 174.709 177.980 -3.271 18292 139 1 1 . 1 1 26 26 ASP CA C 26 52.705 52.705 56.621 -3.916 18292 140 1 1 . 1 1 26 26 ASP CB C 26 34.503 34.503 39.617 -5.114 18292 141 1 1 . 1 1 26 26 ASP H H 26 7.939 7.939 7.886 0.053 18292 142 1 1 . 1 1 27 27 THR N N 27 118.934 118.934 116.426 2.508 18292 143 1 1 . 1 1 27 27 THR HA H 27 3.552 3.552 3.928 -0.376 18292 144 1 1 . 1 1 27 27 THR C C 27 172.390 172.390 176.444 -4.054 18292 145 1 1 . 1 1 27 27 THR CA C 27 63.307 63.307 66.818 -3.511 18292 146 1 1 . 1 1 27 27 THR CB C 27 65.331 65.331 68.760 -3.429 18292 147 1 1 . 1 1 27 27 THR H H 27 7.103 7.103 8.075 -0.972 18292 148 1 1 . 1 1 28 28 GLU N N 28 120.484 120.484 121.509 -1.025 18292 149 1 1 . 1 1 28 28 GLU HA H 28 3.978 3.978 4.261 -0.283 18292 150 1 1 . 1 1 28 28 GLU C C 28 175.447 175.447 178.856 -3.409 18292 151 1 1 . 1 1 28 28 GLU CA C 28 56.760 56.760 58.934 -2.174 18292 152 1 1 . 1 1 28 28 GLU CB C 28 26.418 26.418 29.479 -3.061 18292 153 1 1 . 1 1 28 28 GLU H H 28 7.473 7.473 7.860 -0.387 18292 154 1 1 . 1 1 29 29 ILE N N 29 116.961 116.961 120.747 -3.786 18292 155 1 1 . 1 1 29 29 ILE HA H 29 3.773 3.773 3.825 -0.052 18292 156 1 1 . 1 1 29 29 ILE C C 29 174.605 174.605 178.018 -3.413 18292 157 1 1 . 1 1 29 29 ILE CA C 29 61.243 61.243 65.695 -4.452 18292 158 1 1 . 1 1 29 29 ILE CB C 29 35.267 35.267 37.841 -2.574 18292 159 1 1 . 1 1 29 29 ILE H H 29 7.113 7.113 7.687 -0.574 18292 160 1 1 . 1 1 30 30 LYS N N 30 118.457 118.457 120.198 -1.741 18292 161 1 1 . 1 1 30 30 LYS HA H 30 3.430 3.430 3.944 -0.514 18292 162 1 1 . 1 1 30 30 LYS C C 30 174.886 174.886 178.608 -3.722 18292 163 1 1 . 1 1 30 30 LYS CA C 30 57.872 57.872 60.106 -2.234 18292 164 1 1 . 1 1 30 30 LYS CB C 30 29.680 29.680 32.174 -2.494 18292 165 1 1 . 1 1 30 30 LYS H H 30 7.480 7.480 8.198 -0.718 18292 166 1 1 . 1 1 31 31 ASP N N 31 118.630 118.630 119.497 -0.867 18292 167 1 1 . 1 1 31 31 ASP HA H 31 4.233 4.233 4.321 -0.088 18292 168 1 1 . 1 1 31 31 ASP C C 31 175.558 175.558 178.351 -2.793 18292 169 1 1 . 1 1 31 31 ASP CA C 31 55.137 55.137 57.871 -2.734 18292 170 1 1 . 1 1 31 31 ASP CB C 31 36.829 36.829 40.901 -4.072 18292 171 1 1 . 1 1 31 31 ASP H H 31 8.334 8.334 7.849 0.485 18292 172 1 1 . 1 1 32 32 ASP N N 32 120.576 120.576 119.681 0.895 18292 173 1 1 . 1 1 32 32 ASP HA H 32 4.277 4.277 4.635 -0.358 18292 174 1 1 . 1 1 32 32 ASP C C 32 176.966 176.966 178.456 -1.490 18292 175 1 1 . 1 1 32 32 ASP CA C 32 54.829 54.829 57.224 -2.395 18292 176 1 1 . 1 1 32 32 ASP CB C 32 37.331 37.331 41.177 -3.846 18292 177 1 1 . 1 1 32 32 ASP H H 32 8.189 8.189 8.293 -0.104 18292 178 1 1 . 1 1 33 33 VAL N N 33 121.083 121.083 118.326 2.757 18292 179 1 1 . 1 1 33 33 VAL HA H 33 3.444 3.444 3.827 -0.383 18292 180 1 1 . 1 1 33 33 VAL C C 33 175.529 175.529 177.947 -2.418 18292 181 1 1 . 1 1 33 33 VAL CA C 33 64.511 64.511 65.158 -0.647 18292 182 1 1 . 1 1 33 33 VAL CB C 33 28.920 28.920 31.201 -2.281 18292 183 1 1 . 1 1 33 33 VAL H H 33 8.069 8.069 7.382 0.687 18292 184 1 1 . 1 1 34 34 ILE N N 34 122.145 122.145 121.839 0.306 18292 185 1 1 . 1 1 34 34 ILE HA H 34 3.272 3.272 3.612 -0.340 18292 186 1 1 . 1 1 34 34 ILE C C 34 174.723 174.723 177.765 -3.042 18292 187 1 1 . 1 1 34 34 ILE CA C 34 63.723 63.723 65.862 -2.139 18292 188 1 1 . 1 1 34 34 ILE CB C 34 35.949 35.949 37.474 -1.525 18292 189 1 1 . 1 1 34 34 ILE H H 34 8.887 8.887 7.660 1.227 18292 190 1 1 . 1 1 35 35 GLU N N 35 117.927 117.927 119.820 -1.893 18292 191 1 1 . 1 1 35 35 GLU HA H 35 3.830 3.830 3.862 -0.032 18292 192 1 1 . 1 1 35 35 GLU C C 35 176.747 176.747 178.982 -2.235 18292 193 1 1 . 1 1 35 35 GLU CA C 35 57.183 57.183 60.021 -2.838 18292 194 1 1 . 1 1 35 35 GLU CB C 35 26.969 26.969 29.213 -2.244 18292 195 1 1 . 1 1 35 35 GLU H H 35 8.565 8.565 8.157 0.408 18292 196 1 1 . 1 1 36 36 GLU N N 36 117.299 117.299 119.537 -2.238 18292 197 1 1 . 1 1 36 36 GLU HA H 36 4.012 4.012 4.085 -0.073 18292 198 1 1 . 1 1 36 36 GLU C C 36 176.604 176.604 179.066 -2.462 18292 199 1 1 . 1 1 36 36 GLU CA C 36 56.357 56.357 59.364 -3.007 18292 200 1 1 . 1 1 36 36 GLU CB C 36 26.612 26.612 29.541 -2.929 18292 201 1 1 . 1 1 36 36 GLU H H 36 7.523 7.523 7.862 -0.339 18292 202 1 1 . 1 1 37 37 CYS N N 37 116.308 116.308 117.465 -1.157 18292 203 1 1 . 1 1 37 37 CYS HA H 37 4.141 4.141 4.188 -0.047 18292 204 1 1 . 1 1 37 37 CYS C C 37 175.888 175.888 177.237 -1.349 18292 205 1 1 . 1 1 37 37 CYS CA C 37 61.915 61.915 64.183 -2.268 18292 206 1 1 . 1 1 37 37 CYS CB C 37 24.513 24.513 27.628 -3.115 18292 207 1 1 . 1 1 37 37 CYS H H 37 8.754 8.754 8.269 0.485 18292 208 1 1 . 1 1 38 38 ASN N N 38 121.598 121.598 118.711 2.887 18292 209 1 1 . 1 1 38 38 ASN HA H 38 4.452 4.452 4.479 -0.027 18292 210 1 1 . 1 1 38 38 ASN C C 38 174.340 174.340 176.846 -2.506 18292 211 1 1 . 1 1 38 38 ASN CA C 38 52.249 52.249 55.576 -3.327 18292 212 1 1 . 1 1 38 38 ASN CB C 38 34.488 34.488 37.962 -3.474 18292 213 1 1 . 1 1 38 38 ASN H H 38 8.800 8.800 8.371 0.429 18292 214 1 1 . 1 1 39 39 LYS N N 39 119.297 119.297 116.820 2.477 18292 215 1 1 . 1 1 39 39 LYS HA H 39 4.002 4.002 3.979 0.023 18292 216 1 1 . 1 1 39 39 LYS C C 39 174.388 174.388 177.534 -3.146 18292 217 1 1 . 1 1 39 39 LYS CA C 39 55.239 55.239 57.934 -2.695 18292 218 1 1 . 1 1 39 39 LYS CB C 39 29.477 29.477 32.325 -2.848 18292 219 1 1 . 1 1 39 39 LYS H H 39 7.427 7.427 8.050 -0.623 18292 220 1 1 . 1 1 40 40 HIS N N 40 114.421 114.421 115.438 -1.017 18292 221 1 1 . 1 1 40 40 HIS HA H 40 4.896 4.896 4.698 0.198 18292 222 1 1 . 1 1 40 40 HIS C C 40 171.895 171.895 176.600 -4.705 18292 223 1 1 . 1 1 40 40 HIS CA C 40 51.758 51.758 57.374 -5.617 18292 224 1 1 . 1 1 40 40 HIS CB C 40 28.775 28.775 31.568 -2.793 18292 225 1 1 . 1 1 40 40 HIS H H 40 7.453 7.453 7.378 0.075 18292 226 1 1 . 1 1 41 41 GLY N N 41 106.587 106.587 104.297 2.290 18292 227 1 1 . 1 1 41 41 GLY C C 41 171.376 171.376 173.918 -2.542 18292 228 1 1 . 1 1 41 41 GLY CA C 41 42.388 42.388 45.170 -2.783 18292 229 1 1 . 1 1 41 41 GLY H H 41 7.599 7.599 8.490 -0.891 18292 230 1 1 . 1 1 42 42 GLY N N 42 107.066 107.066 109.504 -2.438 18292 231 1 1 . 1 1 42 42 GLY C C 42 169.120 169.120 172.562 -3.442 18292 232 1 1 . 1 1 42 42 GLY CA C 42 41.518 41.518 44.937 -3.419 18292 233 1 1 . 1 1 42 42 GLY H H 42 7.942 7.942 8.118 -0.176 18292 234 1 1 . 1 1 43 43 VAL N N 43 114.640 114.640 118.548 -3.908 18292 235 1 1 . 1 1 43 43 VAL HA H 43 4.527 4.527 4.449 0.078 18292 236 1 1 . 1 1 43 43 VAL C C 43 169.861 169.861 174.516 -4.655 18292 237 1 1 . 1 1 43 43 VAL CA C 43 58.404 58.404 60.039 -1.635 18292 238 1 1 . 1 1 43 43 VAL CB C 43 31.692 31.692 34.230 -2.538 18292 239 1 1 . 1 1 43 43 VAL H H 43 8.679 8.679 8.385 0.294 18292 240 1 1 . 1 1 44 44 ILE N N 44 115.792 115.792 121.587 -5.795 18292 241 1 1 . 1 1 44 44 ILE HA H 44 4.918 4.918 4.923 -0.005 18292 242 1 1 . 1 1 44 44 ILE C C 44 172.246 172.246 174.539 -2.293 18292 243 1 1 . 1 1 44 44 ILE CA C 44 57.770 57.770 60.497 -2.727 18292 244 1 1 . 1 1 44 44 ILE CB C 44 37.197 37.197 39.289 -2.092 18292 245 1 1 . 1 1 44 44 ILE H H 44 8.587 8.587 8.368 0.219 18292 246 1 1 . 1 1 45 45 HIS N N 45 122.684 122.684 117.344 5.340 18292 247 1 1 . 1 1 45 45 HIS HA H 45 4.426 4.426 4.867 -0.441 18292 248 1 1 . 1 1 45 45 HIS C C 45 168.452 168.452 172.716 -4.264 18292 249 1 1 . 1 1 45 45 HIS CA C 45 55.548 55.548 56.146 -0.598 18292 250 1 1 . 1 1 45 45 HIS CB C 45 31.632 31.632 34.079 -2.447 18292 251 1 1 . 1 1 45 45 HIS H H 45 7.791 7.791 7.603 0.188 18292 252 1 1 . 1 1 46 46 ILE N N 46 123.917 123.917 124.474 -0.557 18292 253 1 1 . 1 1 46 46 ILE HA H 46 5.120 5.120 4.751 0.369 18292 254 1 1 . 1 1 46 46 ILE C C 46 170.171 170.171 173.919 -3.748 18292 255 1 1 . 1 1 46 46 ILE CA C 46 56.063 56.063 59.669 -3.606 18292 256 1 1 . 1 1 46 46 ILE CB C 46 39.753 39.753 41.906 -2.153 18292 257 1 1 . 1 1 46 46 ILE H H 46 7.391 7.391 8.312 -0.921 18292 258 1 1 . 1 1 47 47 TYR N N 47 125.750 125.750 128.766 -3.016 18292 259 1 1 . 1 1 47 47 TYR HA H 47 4.370 4.370 4.845 -0.475 18292 260 1 1 . 1 1 47 47 TYR C C 47 171.029 171.029 173.226 -2.197 18292 261 1 1 . 1 1 47 47 TYR CA C 47 54.800 54.800 56.912 -2.112 18292 262 1 1 . 1 1 47 47 TYR CB C 47 39.851 39.851 40.995 -1.144 18292 263 1 1 . 1 1 47 47 TYR H H 47 9.055 9.055 8.991 0.064 18292 264 1 1 . 1 1 48 48 VAL N N 48 129.720 129.720 129.527 0.193 18292 265 1 1 . 1 1 48 48 VAL HA H 48 3.869 3.869 4.175 -0.306 18292 266 1 1 . 1 1 48 48 VAL C C 48 170.949 170.949 174.184 -3.235 18292 267 1 1 . 1 1 48 48 VAL CA C 48 59.328 59.328 61.023 -1.695 18292 268 1 1 . 1 1 48 48 VAL CB C 48 29.022 29.022 32.634 -3.612 18292 269 1 1 . 1 1 48 48 VAL H H 48 8.290 8.290 8.389 -0.099 18292 270 1 1 . 1 1 49 49 ASP N N 49 125.287 125.287 127.485 -2.198 18292 271 1 1 . 1 1 49 49 ASP HA H 49 4.703 4.703 4.590 0.113 18292 272 1 1 . 1 1 49 49 ASP C C 49 173.851 173.851 175.621 -1.770 18292 273 1 1 . 1 1 49 49 ASP CA C 49 50.349 50.349 54.862 -4.513 18292 274 1 1 . 1 1 49 49 ASP CB C 49 38.139 38.139 42.273 -4.134 18292 275 1 1 . 1 1 49 49 ASP H H 49 8.274 8.274 7.911 0.363 18292 276 1 1 . 1 1 50 50 LYS N N 50 125.099 125.099 118.410 6.689 18292 277 1 1 . 1 1 50 50 LYS HA H 50 4.096 4.096 3.834 0.262 18292 278 1 1 . 1 1 50 50 LYS C C 50 173.120 173.120 176.467 -3.347 18292 279 1 1 . 1 1 50 50 LYS CA C 50 56.284 56.284 56.032 0.251 18292 280 1 1 . 1 1 50 50 LYS CB C 50 29.763 29.763 33.276 -3.513 18292 281 1 1 . 1 1 50 50 LYS H H 50 8.090 8.090 8.425 -0.335 18292 282 1 1 . 1 1 51 51 ASN N N 51 114.422 114.422 120.060 -5.638 18292 283 1 1 . 1 1 51 51 ASN HA H 51 4.931 4.931 5.040 -0.109 18292 284 1 1 . 1 1 51 51 ASN C C 51 172.685 172.685 174.306 -1.621 18292 285 1 1 . 1 1 51 51 ASN CA C 51 50.744 50.744 52.943 -2.199 18292 286 1 1 . 1 1 51 51 ASN CB C 51 37.036 37.036 39.400 -2.364 18292 287 1 1 . 1 1 51 51 ASN H H 51 8.272 8.272 8.806 -0.534 18292 288 1 1 . 1 1 52 52 SER N N 52 115.013 115.013 115.918 -0.905 18292 289 1 1 . 1 1 52 52 SER HA H 52 4.410 4.410 4.707 -0.297 18292 290 1 1 . 1 1 52 52 SER C C 52 172.628 172.628 174.684 -2.056 18292 291 1 1 . 1 1 52 52 SER CA C 52 55.035 55.035 57.541 -2.506 18292 292 1 1 . 1 1 52 52 SER CB C 52 61.604 61.604 64.594 -2.990 18292 293 1 1 . 1 1 52 52 SER H H 52 7.920 7.920 7.704 0.216 18292 294 1 1 . 1 1 53 53 ALA N N 53 129.163 129.163 126.644 2.519 18292 295 1 1 . 1 1 53 53 ALA HA H 53 4.088 4.088 4.555 -0.467 18292 296 1 1 . 1 1 53 53 ALA C C 53 175.951 175.951 178.236 -2.285 18292 297 1 1 . 1 1 53 53 ALA CA C 53 51.409 51.409 53.444 -2.035 18292 298 1 1 . 1 1 53 53 ALA CB C 53 15.878 15.878 19.469 -3.591 18292 299 1 1 . 1 1 53 53 ALA H H 53 8.837 8.837 8.999 -0.162 18292 300 1 1 . 1 1 54 54 GLN N N 54 113.081 113.081 118.340 -5.259 18292 301 1 1 . 1 1 54 54 GLN HA H 54 4.202 4.202 4.437 -0.235 18292 302 1 1 . 1 1 54 54 GLN C C 54 173.388 173.388 175.218 -1.830 18292 303 1 1 . 1 1 54 54 GLN CA C 54 52.993 52.993 54.294 -1.301 18292 304 1 1 . 1 1 54 54 GLN CB C 54 26.360 26.360 29.059 -2.699 18292 305 1 1 . 1 1 54 54 GLN H H 54 7.836 7.836 8.105 -0.269 18292 306 1 1 . 1 1 55 55 GLY N N 55 108.967 108.967 107.888 1.079 18292 307 1 1 . 1 1 55 55 GLY CA C 55 45.087 45.087 45.104 -0.017 18292 308 1 1 . 1 1 55 55 GLY H H 55 7.191 7.191 8.572 -1.381 18292 309 1 1 . 1 1 56 56 ASN N N 56 114.505 114.505 117.560 -3.055 18292 310 1 1 . 1 1 56 56 ASN HA H 56 5.520 5.520 4.725 0.795 18292 311 1 1 . 1 1 56 56 ASN C C 56 172.166 172.166 174.560 -2.394 18292 312 1 1 . 1 1 56 56 ASN CA C 56 50.462 50.462 53.818 -3.356 18292 313 1 1 . 1 1 56 56 ASN CB C 56 38.400 38.400 39.877 -1.477 18292 314 1 1 . 1 1 56 56 ASN H H 56 7.614 7.614 7.861 -0.247 18292 315 1 1 . 1 1 57 57 VAL N N 57 119.859 119.859 118.000 1.859 18292 316 1 1 . 1 1 57 57 VAL HA H 57 4.692 4.692 4.206 0.486 18292 317 1 1 . 1 1 57 57 VAL C C 57 170.667 170.667 173.895 -3.228 18292 318 1 1 . 1 1 57 57 VAL CA C 57 58.163 58.163 60.525 -2.362 18292 319 1 1 . 1 1 57 57 VAL CB C 57 33.663 33.663 36.175 -2.512 18292 320 1 1 . 1 1 57 57 VAL H H 57 8.354 8.354 7.468 0.886 18292 321 1 1 . 1 1 58 58 TYR N N 58 128.478 128.478 119.883 8.595 18292 322 1 1 . 1 1 58 58 TYR HA H 58 4.937 4.937 4.891 0.046 18292 323 1 1 . 1 1 58 58 TYR C C 58 170.605 170.605 174.382 -3.777 18292 324 1 1 . 1 1 58 58 TYR CA C 58 55.354 55.354 56.867 -1.514 18292 325 1 1 . 1 1 58 58 TYR CB C 58 37.775 37.775 41.181 -3.406 18292 326 1 1 . 1 1 58 58 TYR H H 58 9.275 9.275 8.772 0.503 18292 327 1 1 . 1 1 59 59 VAL N N 59 123.117 123.117 121.574 1.543 18292 328 1 1 . 1 1 59 59 VAL HA H 59 4.462 4.462 4.668 -0.206 18292 329 1 1 . 1 1 59 59 VAL C C 59 170.875 170.875 173.812 -2.937 18292 330 1 1 . 1 1 59 59 VAL CA C 59 58.527 58.527 60.356 -1.829 18292 331 1 1 . 1 1 59 59 VAL CB C 59 32.611 32.611 35.402 -2.791 18292 332 1 1 . 1 1 59 59 VAL H H 59 8.860 8.860 8.709 0.151 18292 333 1 1 . 1 1 60 60 LYS N N 60 123.266 123.266 126.244 -2.978 18292 334 1 1 . 1 1 60 60 LYS HA H 60 4.745 4.745 4.998 -0.253 18292 335 1 1 . 1 1 60 60 LYS C C 60 173.399 173.399 174.858 -1.459 18292 336 1 1 . 1 1 60 60 LYS CA C 60 52.207 52.207 54.587 -2.380 18292 337 1 1 . 1 1 60 60 LYS CB C 60 34.244 34.244 36.194 -1.950 18292 338 1 1 . 1 1 60 60 LYS H H 60 8.668 8.668 8.635 0.033 18292 339 1 1 . 1 1 61 61 CYS N N 61 125.267 125.267 124.007 1.260 18292 340 1 1 . 1 1 61 61 CYS HA H 61 4.740 4.740 5.117 -0.377 18292 341 1 1 . 1 1 61 61 CYS CA C 61 56.393 56.393 55.374 1.019 18292 342 1 1 . 1 1 61 61 CYS CB C 61 27.416 27.416 28.658 -1.242 18292 343 1 1 . 1 1 61 61 CYS H H 61 9.207 9.207 8.976 0.231 18292 344 1 1 . 1 1 62 62 PRO HA H 62 4.266 4.266 4.436 -0.170 18292 345 1 1 . 1 1 62 62 PRO C C 62 171.443 171.443 176.089 -4.646 18292 346 1 1 . 1 1 62 62 PRO CA C 62 61.167 61.167 64.228 -3.061 18292 347 1 1 . 1 1 62 62 PRO CB C 62 29.450 29.450 32.331 -2.881 18292 348 1 1 . 1 1 63 63 SER N N 63 108.558 108.558 112.552 -3.994 18292 349 1 1 . 1 1 63 63 SER HA H 63 4.606 4.606 4.716 -0.110 18292 350 1 1 . 1 1 63 63 SER C C 63 171.147 171.147 174.366 -3.219 18292 351 1 1 . 1 1 63 63 SER CA C 63 53.259 53.259 57.037 -3.778 18292 352 1 1 . 1 1 63 63 SER CB C 63 63.378 63.378 66.499 -3.121 18292 353 1 1 . 1 1 63 63 SER H H 63 6.990 6.990 7.705 -0.715 18292 354 1 1 . 1 1 64 64 ILE N N 64 122.885 122.885 125.806 -2.921 18292 355 1 1 . 1 1 64 64 ILE HA H 64 3.462 3.462 3.688 -0.226 18292 356 1 1 . 1 1 64 64 ILE C C 64 174.204 174.204 177.850 -3.646 18292 357 1 1 . 1 1 64 64 ILE CA C 64 62.955 62.955 65.446 -2.491 18292 358 1 1 . 1 1 64 64 ILE CB C 64 35.297 35.297 37.871 -2.574 18292 359 1 1 . 1 1 64 64 ILE H H 64 8.786 8.786 9.002 -0.216 18292 360 1 1 . 1 1 65 65 ALA N N 65 120.653 120.653 122.412 -1.759 18292 361 1 1 . 1 1 65 65 ALA HA H 65 3.890 3.890 4.029 -0.139 18292 362 1 1 . 1 1 65 65 ALA C C 65 177.926 177.926 179.532 -1.606 18292 363 1 1 . 1 1 65 65 ALA CA C 65 52.772 52.772 55.062 -2.290 18292 364 1 1 . 1 1 65 65 ALA CB C 65 15.552 15.552 17.699 -2.147 18292 365 1 1 . 1 1 65 65 ALA H H 65 8.287 8.287 8.261 0.026 18292 366 1 1 . 1 1 66 66 ALA N N 66 119.802 119.802 120.644 -0.842 18292 367 1 1 . 1 1 66 66 ALA HA H 66 4.344 4.344 4.011 0.333 18292 368 1 1 . 1 1 66 66 ALA C C 66 176.063 176.063 179.098 -3.035 18292 369 1 1 . 1 1 66 66 ALA CA C 66 52.108 52.108 54.921 -2.813 18292 370 1 1 . 1 1 66 66 ALA CB C 66 16.106 16.106 18.614 -2.508 18292 371 1 1 . 1 1 66 66 ALA H H 66 7.952 7.952 8.142 -0.190 18292 372 1 1 . 1 1 67 67 ALA N N 67 121.626 121.626 122.235 -0.609 18292 373 1 1 . 1 1 67 67 ALA HA H 67 4.398 4.398 3.953 0.445 18292 374 1 1 . 1 1 67 67 ALA C C 67 175.824 175.824 179.374 -3.550 18292 375 1 1 . 1 1 67 67 ALA CA C 67 53.135 53.135 55.032 -1.897 18292 376 1 1 . 1 1 67 67 ALA CB C 67 17.020 17.020 18.354 -1.334 18292 377 1 1 . 1 1 67 67 ALA H H 67 7.332 7.332 7.447 -0.115 18292 378 1 1 . 1 1 68 68 ILE N N 68 117.793 117.793 119.709 -1.916 18292 379 1 1 . 1 1 68 68 ILE HA H 68 4.185 4.185 3.797 0.388 18292 380 1 1 . 1 1 68 68 ILE C C 68 176.163 176.163 178.405 -2.242 18292 381 1 1 . 1 1 68 68 ILE CA C 68 61.323 61.323 65.316 -3.993 18292 382 1 1 . 1 1 68 68 ILE CB C 68 36.657 36.657 37.897 -1.240 18292 383 1 1 . 1 1 68 68 ILE H H 68 8.655 8.655 8.604 0.051 18292 384 1 1 . 1 1 69 69 ALA N N 69 119.051 119.051 120.416 -1.365 18292 385 1 1 . 1 1 69 69 ALA HA H 69 3.836 3.836 3.829 0.007 18292 386 1 1 . 1 1 69 69 ALA C C 69 177.325 177.325 179.109 -1.784 18292 387 1 1 . 1 1 69 69 ALA CA C 69 51.781 51.781 54.708 -2.927 18292 388 1 1 . 1 1 69 69 ALA CB C 69 15.767 15.767 17.948 -2.181 18292 389 1 1 . 1 1 69 69 ALA H H 69 7.377 7.377 7.466 -0.089 18292 390 1 1 . 1 1 70 70 ALA N N 70 121.378 121.378 122.288 -0.910 18292 391 1 1 . 1 1 70 70 ALA HA H 70 3.544 3.544 3.904 -0.360 18292 392 1 1 . 1 1 70 70 ALA C C 70 176.012 176.012 179.243 -3.231 18292 393 1 1 . 1 1 70 70 ALA CA C 70 52.966 52.966 54.608 -1.642 18292 394 1 1 . 1 1 70 70 ALA CB C 70 16.740 16.740 18.448 -1.708 18292 395 1 1 . 1 1 70 70 ALA H H 70 7.798 7.798 7.968 -0.170 18292 396 1 1 . 1 1 71 71 VAL N N 71 119.944 119.944 118.883 1.061 18292 397 1 1 . 1 1 71 71 VAL HA H 71 2.524 2.524 3.027 -0.503 18292 398 1 1 . 1 1 71 71 VAL C C 71 175.408 175.408 178.025 -2.617 18292 399 1 1 . 1 1 71 71 VAL CA C 71 64.993 64.993 66.357 -1.364 18292 400 1 1 . 1 1 71 71 VAL CB C 71 28.184 28.184 30.643 -2.459 18292 401 1 1 . 1 1 71 71 VAL H H 71 8.662 8.662 8.175 0.487 18292 402 1 1 . 1 1 72 72 ASN N N 72 114.981 114.981 117.753 -2.772 18292 403 1 1 . 1 1 72 72 ASN HA H 72 4.244 4.244 4.356 -0.112 18292 404 1 1 . 1 1 72 72 ASN C C 72 174.490 174.490 176.507 -2.017 18292 405 1 1 . 1 1 72 72 ASN CA C 72 52.776 52.776 55.864 -3.088 18292 406 1 1 . 1 1 72 72 ASN CB C 72 35.394 35.394 38.179 -2.785 18292 407 1 1 . 1 1 72 72 ASN H H 72 8.061 8.061 8.043 0.018 18292 408 1 1 . 1 1 73 73 ALA N N 73 120.308 120.308 121.160 -0.852 18292 409 1 1 . 1 1 73 73 ALA HA H 73 4.162 4.162 4.150 0.012 18292 410 1 1 . 1 1 73 73 ALA C C 73 176.245 176.245 178.570 -2.325 18292 411 1 1 . 1 1 73 73 ALA CA C 73 51.058 51.058 54.015 -2.957 18292 412 1 1 . 1 1 73 73 ALA CB C 73 17.457 17.457 19.295 -1.838 18292 413 1 1 . 1 1 73 73 ALA H H 73 7.230 7.230 7.427 -0.197 18292 414 1 1 . 1 1 74 74 LEU N N 74 118.156 118.156 117.478 0.678 18292 415 1 1 . 1 1 74 74 LEU HA H 74 4.021 4.021 4.036 -0.015 18292 416 1 1 . 1 1 74 74 LEU C C 74 173.863 173.863 177.469 -3.606 18292 417 1 1 . 1 1 74 74 LEU CA C 74 53.853 53.853 57.261 -3.408 18292 418 1 1 . 1 1 74 74 LEU CB C 74 41.552 41.552 42.403 -0.851 18292 419 1 1 . 1 1 74 74 LEU H H 74 7.856 7.856 7.805 0.051 18292 420 1 1 . 1 1 75 75 HIS N N 75 117.126 117.126 116.709 0.417 18292 421 1 1 . 1 1 75 75 HIS HA H 75 3.830 3.830 4.182 -0.352 18292 422 1 1 . 1 1 75 75 HIS C C 75 174.851 174.851 176.258 -1.407 18292 423 1 1 . 1 1 75 75 HIS CA C 75 56.621 56.621 58.517 -1.896 18292 424 1 1 . 1 1 75 75 HIS CB C 75 28.299 28.299 30.043 -1.744 18292 425 1 1 . 1 1 75 75 HIS H H 75 8.434 8.434 7.760 0.674 18292 426 1 1 . 1 1 76 76 GLY N N 76 116.761 116.761 115.643 1.118 18292 427 1 1 . 1 1 76 76 GLY CA C 76 42.221 42.221 44.786 -2.565 18292 428 1 1 . 1 1 76 76 GLY H H 76 8.418 8.418 8.882 -0.464 18292 429 1 1 . 1 1 77 77 ARG N N 77 120.430 120.430 119.919 0.511 18292 430 1 1 . 1 1 77 77 ARG HA H 77 4.248 4.248 4.262 -0.014 18292 431 1 1 . 1 1 77 77 ARG C C 77 173.536 173.536 175.220 -1.684 18292 432 1 1 . 1 1 77 77 ARG CA C 77 53.029 53.029 56.865 -3.836 18292 433 1 1 . 1 1 77 77 ARG CB C 77 29.058 29.058 31.148 -2.090 18292 434 1 1 . 1 1 77 77 ARG H H 77 7.385 7.385 7.476 -0.091 18292 435 1 1 . 1 1 78 78 TRP N N 78 122.989 122.989 119.980 3.009 18292 436 1 1 . 1 1 78 78 TRP HA H 78 4.941 4.941 5.216 -0.275 18292 437 1 1 . 1 1 78 78 TRP C C 78 173.888 173.888 176.110 -2.222 18292 438 1 1 . 1 1 78 78 TRP CA C 78 54.234 54.234 56.661 -2.427 18292 439 1 1 . 1 1 78 78 TRP CB C 78 26.923 26.923 30.836 -3.913 18292 440 1 1 . 1 1 78 78 TRP H H 78 8.463 8.463 8.374 0.089 18292 441 1 1 . 1 1 79 79 PHE N N 79 126.899 126.899 125.664 1.235 18292 442 1 1 . 1 1 79 79 PHE HA H 79 4.637 4.637 4.479 0.158 18292 443 1 1 . 1 1 79 79 PHE C C 79 171.696 171.696 176.565 -4.869 18292 444 1 1 . 1 1 79 79 PHE CA C 79 54.624 54.624 57.918 -3.294 18292 445 1 1 . 1 1 79 79 PHE CB C 79 39.577 39.577 41.365 -1.788 18292 446 1 1 . 1 1 79 79 PHE H H 79 9.500 9.500 8.855 0.645 18292 447 1 1 . 1 1 80 80 ALA N N 80 130.285 130.285 124.398 5.887 18292 448 1 1 . 1 1 80 80 ALA HA H 80 3.705 3.705 4.142 -0.437 18292 449 1 1 . 1 1 80 80 ALA C C 80 174.560 174.560 177.336 -2.776 18292 450 1 1 . 1 1 80 80 ALA CA C 80 49.993 49.993 52.658 -2.665 18292 451 1 1 . 1 1 80 80 ALA CB C 80 14.479 14.479 16.826 -2.347 18292 452 1 1 . 1 1 80 80 ALA H H 80 8.840 8.840 7.982 0.858 18292 453 1 1 . 1 1 81 81 GLY N N 81 102.771 102.771 110.823 -8.052 18292 454 1 1 . 1 1 81 81 GLY C C 81 171.087 171.087 173.734 -2.647 18292 455 1 1 . 1 1 81 81 GLY CA C 81 42.891 42.891 45.174 -2.283 18292 456 1 1 . 1 1 81 81 GLY H H 81 8.268 8.268 8.502 -0.234 18292 457 1 1 . 1 1 82 82 LYS N N 82 120.307 120.307 118.577 1.730 18292 458 1 1 . 1 1 82 82 LYS HA H 82 4.469 4.469 4.665 -0.196 18292 459 1 1 . 1 1 82 82 LYS C C 82 170.688 170.688 174.596 -3.908 18292 460 1 1 . 1 1 82 82 LYS CA C 82 52.029 52.029 54.216 -2.187 18292 461 1 1 . 1 1 82 82 LYS CB C 82 32.776 32.776 35.891 -3.115 18292 462 1 1 . 1 1 82 82 LYS H H 82 7.791 7.791 7.943 -0.152 18292 463 1 1 . 1 1 83 83 MET N N 83 121.212 121.212 121.101 0.111 18292 464 1 1 . 1 1 83 83 MET HA H 83 3.871 3.871 3.751 0.120 18292 465 1 1 . 1 1 83 83 MET C C 83 173.474 173.474 175.587 -2.113 18292 466 1 1 . 1 1 83 83 MET CA C 83 51.968 51.968 54.240 -2.272 18292 467 1 1 . 1 1 83 83 MET CB C 83 30.275 30.275 33.085 -2.810 18292 468 1 1 . 1 1 83 83 MET H H 83 7.953 7.953 8.337 -0.384 18292 469 1 1 . 1 1 84 84 ILE N N 84 128.512 128.512 126.681 1.831 18292 470 1 1 . 1 1 84 84 ILE HA H 84 4.230 4.230 4.081 0.149 18292 471 1 1 . 1 1 84 84 ILE C C 84 173.459 173.459 175.643 -2.184 18292 472 1 1 . 1 1 84 84 ILE CA C 84 58.832 58.832 60.452 -1.620 18292 473 1 1 . 1 1 84 84 ILE CB C 84 36.088 36.088 37.653 -1.565 18292 474 1 1 . 1 1 84 84 ILE H H 84 8.683 8.683 8.670 0.013 18292 475 1 1 . 1 1 85 85 THR N N 85 115.456 115.456 120.140 -4.684 18292 476 1 1 . 1 1 85 85 THR HA H 85 4.825 4.825 4.820 0.005 18292 477 1 1 . 1 1 85 85 THR CA C 85 56.520 56.520 59.515 -2.995 18292 478 1 1 . 1 1 85 85 THR CB C 85 68.803 68.803 71.219 -2.416 18292 479 1 1 . 1 1 85 85 THR H H 85 7.318 7.318 8.195 -0.877 18292 480 1 1 . 1 1 86 86 ALA N N 86 128.004 128.004 125.493 2.511 18292 481 1 1 . 1 1 86 86 ALA HA H 86 5.542 5.542 5.387 0.155 18292 482 1 1 . 1 1 86 86 ALA C C 86 173.070 173.070 175.240 -2.170 18292 483 1 1 . 1 1 86 86 ALA CA C 86 47.491 47.491 49.925 -2.434 18292 484 1 1 . 1 1 86 86 ALA CB C 86 22.241 22.241 21.946 0.295 18292 485 1 1 . 1 1 86 86 ALA H H 86 10.712 10.712 8.110 2.602 18292 486 1 1 . 1 1 87 87 ALA N N 87 122.902 122.902 121.670 1.232 18292 487 1 1 . 1 1 87 87 ALA HA H 87 4.499 4.499 4.783 -0.284 18292 488 1 1 . 1 1 87 87 ALA C C 87 173.781 173.781 175.263 -1.482 18292 489 1 1 . 1 1 87 87 ALA CA C 87 47.989 47.989 51.610 -3.621 18292 490 1 1 . 1 1 87 87 ALA CB C 87 19.981 19.981 21.856 -1.875 18292 491 1 1 . 1 1 87 87 ALA H H 87 8.413 8.413 8.415 -0.002 18292 492 1 1 . 1 1 88 88 TYR N N 88 120.267 120.267 120.399 -0.132 18292 493 1 1 . 1 1 88 88 TYR HA H 88 4.723 4.723 5.096 -0.373 18292 494 1 1 . 1 1 88 88 TYR C C 88 173.615 173.615 177.011 -3.396 18292 495 1 1 . 1 1 88 88 TYR CA C 88 57.556 57.556 58.087 -0.531 18292 496 1 1 . 1 1 88 88 TYR CB C 88 36.474 36.474 39.276 -2.803 18292 497 1 1 . 1 1 88 88 TYR H H 88 8.311 8.311 8.768 -0.457 18292 498 1 1 . 1 1 89 89 VAL N N 89 123.298 123.298 117.807 5.491 18292 499 1 1 . 1 1 89 89 VAL HA H 89 4.696 4.696 4.678 0.018 18292 500 1 1 . 1 1 89 89 VAL CA C 89 55.899 55.899 58.936 -3.037 18292 501 1 1 . 1 1 89 89 VAL CB C 89 33.445 33.445 32.968 0.477 18292 502 1 1 . 1 1 89 89 VAL H H 89 8.420 8.420 8.374 0.046 18292 503 1 1 . 1 1 90 90 PRO HA H 90 4.450 4.450 4.678 -0.228 18292 504 1 1 . 1 1 90 90 PRO CA C 90 60.310 60.310 62.659 -2.349 18292 505 1 1 . 1 1 90 90 PRO CB C 90 30.489 30.489 30.872 -0.383 18292 506 1 1 . 1 1 91 91 LEU N N 91 126.649 126.649 127.819 -1.170 18292 507 1 1 . 1 1 91 91 LEU HA H 91 3.975 3.975 4.256 -0.281 18292 508 1 1 . 1 1 91 91 LEU CA C 91 56.691 56.691 59.984 -3.293 18292 509 1 1 . 1 1 91 91 LEU CB C 91 37.139 37.139 39.862 -2.723 18292 510 1 1 . 1 1 91 91 LEU H H 91 8.997 8.997 8.506 0.491 18292 511 1 1 . 1 1 92 92 PRO HA H 92 4.211 4.211 3.920 0.291 18292 512 1 1 . 1 1 92 92 PRO C C 92 177.175 177.175 177.368 -0.193 18292 513 1 1 . 1 1 92 92 PRO CA C 92 63.104 63.104 65.035 -1.931 18292 514 1 1 . 1 1 92 92 PRO CB C 92 27.973 27.973 31.167 -3.194 18292 515 1 1 . 1 1 93 93 THR N N 93 112.839 112.839 114.230 -1.391 18292 516 1 1 . 1 1 93 93 THR HA H 93 3.827 3.827 4.452 -0.625 18292 517 1 1 . 1 1 93 93 THR C C 93 172.669 172.669 176.028 -3.359 18292 518 1 1 . 1 1 93 93 THR CA C 93 63.096 63.096 65.262 -2.166 18292 519 1 1 . 1 1 93 93 THR CB C 93 65.968 65.968 70.189 -4.221 18292 520 1 1 . 1 1 93 93 THR H H 93 6.528 6.528 7.820 -1.292 18292 521 1 1 . 1 1 94 94 TYR N N 94 125.195 125.195 125.045 0.150 18292 522 1 1 . 1 1 94 94 TYR HA H 94 3.515 3.515 4.162 -0.647 18292 523 1 1 . 1 1 94 94 TYR C C 94 174.953 174.953 177.056 -2.103 18292 524 1 1 . 1 1 94 94 TYR CA C 94 60.012 60.012 62.358 -2.346 18292 525 1 1 . 1 1 94 94 TYR CB C 94 37.588 37.588 38.799 -1.211 18292 526 1 1 . 1 1 94 94 TYR H H 94 8.263 8.263 9.005 -0.742 18292 527 1 1 . 1 1 95 95 HIS N N 95 114.994 114.994 116.276 -1.282 18292 528 1 1 . 1 1 95 95 HIS HA H 95 4.187 4.187 4.328 -0.141 18292 529 1 1 . 1 1 95 95 HIS C C 95 173.780 173.780 176.752 -2.972 18292 530 1 1 . 1 1 95 95 HIS CA C 95 53.471 53.471 58.252 -4.781 18292 531 1 1 . 1 1 95 95 HIS CB C 95 26.528 26.528 29.376 -2.848 18292 532 1 1 . 1 1 95 95 HIS H H 95 8.529 8.529 9.089 -0.560 18292 533 1 1 . 1 1 96 96 ASN N N 96 116.599 116.599 116.392 0.207 18292 534 1 1 . 1 1 96 96 ASN HA H 96 4.315 4.315 4.401 -0.086 18292 535 1 1 . 1 1 96 96 ASN C C 96 175.849 175.849 176.747 -0.898 18292 536 1 1 . 1 1 96 96 ASN CA C 96 52.814 52.814 54.866 -2.052 18292 537 1 1 . 1 1 96 96 ASN CB C 96 36.453 36.453 38.531 -2.078 18292 538 1 1 . 1 1 96 96 ASN H H 96 7.343 7.343 7.960 -0.617 18292 539 1 1 . 1 1 97 97 LEU N N 97 119.316 119.316 118.905 0.411 18292 540 1 1 . 1 1 97 97 LEU HA H 97 3.406 3.406 3.878 -0.472 18292 541 1 1 . 1 1 97 97 LEU CA C 97 54.399 54.399 56.440 -2.041 18292 542 1 1 . 1 1 97 97 LEU CB C 97 39.614 39.614 41.765 -2.151 18292 543 1 1 . 1 1 97 97 LEU H H 97 7.299 7.299 7.175 0.124 18292 544 1 1 . 1 1 98 98 PHE N N 98 113.688 113.688 114.916 -1.228 18292 545 1 1 . 1 1 98 98 PHE HA H 98 4.696 4.696 4.783 -0.087 18292 546 1 1 . 1 1 98 98 PHE CA C 98 54.399 54.399 54.885 -0.486 18292 547 1 1 . 1 1 98 98 PHE CB C 98 35.380 35.380 38.267 -2.887 18292 548 1 1 . 1 1 98 98 PHE H H 98 7.795 7.795 7.854 -0.059 18292 549 1 1 . 1 1 99 99 PRO HA H 99 4.430 4.430 4.420 0.010 18292 550 1 1 . 1 1 99 99 PRO C C 99 176.469 176.469 176.551 -0.082 18292 551 1 1 . 1 1 99 99 PRO CA C 99 63.174 63.174 64.650 -1.476 18292 552 1 1 . 1 1 99 99 PRO CB C 99 28.822 28.822 31.778 -2.956 18292 553 1 1 . 1 1 100 100 ASP N N 100 115.482 115.482 117.567 -2.085 18292 554 1 1 . 1 1 100 100 ASP HA H 100 4.306 4.306 4.504 -0.198 18292 555 1 1 . 1 1 100 100 ASP C C 100 174.886 174.886 177.446 -2.560 18292 556 1 1 . 1 1 100 100 ASP CA C 100 53.064 53.064 55.738 -2.674 18292 557 1 1 . 1 1 100 100 ASP CB C 100 36.736 36.736 40.932 -4.196 18292 558 1 1 . 1 1 100 100 ASP H H 100 8.897 8.897 8.346 0.551 18292 559 1 1 . 1 1 101 101 SER N N 101 114.743 114.743 115.863 -1.120 18292 560 1 1 . 1 1 101 101 SER HA H 101 3.876 3.876 4.155 -0.279 18292 561 1 1 . 1 1 101 101 SER C C 101 173.539 173.539 176.311 -2.772 18292 562 1 1 . 1 1 101 101 SER CA C 101 58.183 58.183 60.939 -2.756 18292 563 1 1 . 1 1 101 101 SER CB C 101 61.403 61.403 61.869 -0.466 18292 564 1 1 . 1 1 101 101 SER H H 101 8.057 8.057 8.419 -0.362 18292 565 1 1 . 1 1 102 102 MET N N 102 122.103 122.103 120.133 1.970 18292 566 1 1 . 1 1 102 102 MET HA H 102 3.340 3.340 4.271 -0.931 18292 567 1 1 . 1 1 102 102 MET C C 102 174.488 174.488 177.681 -3.193 18292 568 1 1 . 1 1 102 102 MET CA C 102 56.606 56.606 59.073 -2.467 18292 569 1 1 . 1 1 102 102 MET CB C 102 31.312 31.312 31.922 -0.610 18292 570 1 1 . 1 1 102 102 MET H H 102 7.319 7.319 7.710 -0.391 18292 571 1 1 . 1 1 103 103 THR N N 103 104.780 104.780 112.282 -7.502 18292 572 1 1 . 1 1 103 103 THR HA H 103 4.318 4.318 4.261 0.057 18292 573 1 1 . 1 1 103 103 THR C C 103 171.121 171.121 175.283 -4.162 18292 574 1 1 . 1 1 103 103 THR CA C 103 57.203 57.203 62.363 -5.160 18292 575 1 1 . 1 1 103 103 THR CB C 103 65.753 65.753 68.298 -2.545 18292 576 1 1 . 1 1 103 103 THR H H 103 7.216 7.216 7.912 -0.696 18292 577 1 1 . 1 1 104 104 ALA N N 104 125.795 125.795 126.735 -0.940 18292 578 1 1 . 1 1 104 104 ALA HA H 104 4.347 4.347 4.134 0.213 18292 579 1 1 . 1 1 104 104 ALA C C 104 174.370 174.370 177.487 -3.117 18292 580 1 1 . 1 1 104 104 ALA CA C 104 50.244 50.244 52.608 -2.364 18292 581 1 1 . 1 1 104 104 ALA CB C 104 16.077 16.077 18.580 -2.503 18292 582 1 1 . 1 1 104 104 ALA H H 104 6.605 6.605 7.960 -1.355 18292 583 1 1 . 1 1 105 105 THR N N 105 111.482 111.482 115.715 -4.233 18292 584 1 1 . 1 1 105 105 THR HA H 105 4.390 4.390 4.246 0.144 18292 585 1 1 . 1 1 105 105 THR C C 105 171.563 171.563 173.873 -2.310 18292 586 1 1 . 1 1 105 105 THR CA C 105 58.977 58.977 62.853 -3.876 18292 587 1 1 . 1 1 105 105 THR CB C 105 68.537 68.537 68.504 0.034 18292 588 1 1 . 1 1 105 105 THR H H 105 8.698 8.698 8.449 0.249 18292 589 1 1 . 1 1 106 106 GLN N N 106 123.003 123.003 119.174 3.829 18292 590 1 1 . 1 1 106 106 GLN HA H 106 4.294 4.294 4.526 -0.232 18292 591 1 1 . 1 1 106 106 GLN C C 106 172.973 172.973 174.449 -1.476 18292 592 1 1 . 1 1 106 106 GLN CA C 106 52.710 52.710 53.806 -1.096 18292 593 1 1 . 1 1 106 106 GLN CB C 106 27.282 27.282 29.783 -2.501 18292 594 1 1 . 1 1 106 106 GLN H H 106 7.944 7.944 7.810 0.134 18292 595 1 1 . 1 1 107 107 LEU N N 107 124.765 124.765 126.533 -1.768 18292 596 1 1 . 1 1 107 107 LEU HA H 107 4.328 4.328 4.415 -0.087 18292 597 1 1 . 1 1 107 107 LEU C C 107 174.110 174.110 177.382 -3.272 18292 598 1 1 . 1 1 107 107 LEU CA C 107 52.798 52.798 55.463 -2.665 18292 599 1 1 . 1 1 107 107 LEU CB C 107 37.829 37.829 42.159 -4.330 18292 600 1 1 . 1 1 107 107 LEU H H 107 8.390 8.390 8.694 -0.304 18292 601 1 1 . 1 1 108 108 LEU N N 108 122.332 122.332 125.347 -3.015 18292 602 1 1 . 1 1 108 108 LEU HA H 108 4.259 4.259 4.394 -0.135 18292 603 1 1 . 1 1 108 108 LEU C C 108 173.870 173.870 175.777 -1.907 18292 604 1 1 . 1 1 108 108 LEU CA C 108 52.092 52.092 55.401 -3.308 18292 605 1 1 . 1 1 108 108 LEU CB C 108 39.253 39.253 42.523 -3.270 18292 606 1 1 . 1 1 108 108 LEU H H 108 8.480 8.480 8.115 0.365 18292 607 1 1 . 1 1 109 109 VAL N N 109 115.421 115.421 112.491 2.930 18292 608 1 1 . 1 1 109 109 VAL HA H 109 4.444 4.444 4.593 -0.149 18292 609 1 1 . 1 1 109 109 VAL CA C 109 55.640 55.640 58.576 -2.936 18292 610 1 1 . 1 1 109 109 VAL CB C 109 31.153 31.153 33.033 -1.880 18292 611 1 1 . 1 1 109 109 VAL H H 109 8.007 8.007 8.101 -0.094 18292 612 1 1 . 1 1 110 110 PRO HA H 110 4.361 4.361 4.724 -0.363 18292 613 1 1 . 1 1 110 110 PRO C C 110 173.778 173.778 175.487 -1.709 18292 614 1 1 . 1 1 110 110 PRO CA C 110 59.737 59.737 62.450 -2.713 18292 615 1 1 . 1 1 110 110 PRO CB C 110 29.710 29.710 32.970 -3.260 18292 616 1 1 . 1 1 111 111 SER N N 111 120.434 120.434 115.785 4.649 18292 617 1 1 . 1 1 111 111 SER HA H 111 4.139 4.139 4.500 -0.361 18292 618 1 1 . 1 1 111 111 SER C C 111 172.475 172.475 174.149 -1.674 18292 619 1 1 . 1 1 111 111 SER CA C 111 57.674 57.674 58.839 -1.165 18292 620 1 1 . 1 1 111 111 SER CB C 111 60.580 60.580 64.604 -4.024 18292 621 1 1 . 1 1 111 111 SER H H 111 9.945 9.945 9.323 0.622 18292 622 1 1 . 1 1 112 112 ARG N N 112 121.013 121.013 120.746 0.267 18292 623 1 1 . 1 1 112 112 ARG HA H 112 4.253 4.253 4.447 -0.194 18292 624 1 1 . 1 1 112 112 ARG C C 112 172.216 172.216 173.862 -1.646 18292 625 1 1 . 1 1 112 112 ARG CA C 112 53.071 53.071 56.398 -3.328 18292 626 1 1 . 1 1 112 112 ARG CB C 112 27.963 27.963 31.927 -3.964 18292 627 1 1 . 1 1 112 112 ARG H H 112 7.861 7.861 8.082 -0.221 18292 628 1 2 . 1 1 2 2 GLN N N 2 125.719 125.719 121.216 4.503 18292 629 1 2 . 1 1 2 2 GLN HA H 2 4.571 4.571 4.561 0.010 18292 630 1 2 . 1 1 2 2 GLN CA C 2 50.502 50.502 54.319 -3.817 18292 631 1 2 . 1 1 2 2 GLN CB C 2 26.254 26.254 29.611 -3.357 18292 632 1 2 . 1 1 2 2 GLN H H 2 8.471 8.471 8.583 -0.112 18292 633 1 2 . 1 1 3 3 PRO HA H 3 4.311 4.311 4.532 -0.221 18292 634 1 2 . 1 1 3 3 PRO C C 3 173.634 173.634 175.668 -2.034 18292 635 1 2 . 1 1 3 3 PRO CA C 3 60.349 60.349 62.963 -2.614 18292 636 1 2 . 1 1 3 3 PRO CB C 3 29.678 29.678 30.177 -0.499 18292 637 1 2 . 1 1 4 4 LEU N N 4 122.253 122.253 114.825 7.428 18292 638 1 2 . 1 1 4 4 LEU HA H 4 4.133 4.133 4.640 -0.507 18292 639 1 2 . 1 1 4 4 LEU C C 4 172.946 172.946 174.862 -1.916 18292 640 1 2 . 1 1 4 4 LEU CA C 4 51.900 51.900 54.530 -2.630 18292 641 1 2 . 1 1 4 4 LEU CB C 4 39.711 39.711 41.888 -2.177 18292 642 1 2 . 1 1 4 4 LEU H H 4 7.912 7.912 7.566 0.346 18292 643 1 2 . 1 1 5 5 ALA N N 5 122.619 122.619 123.517 -0.898 18292 644 1 2 . 1 1 5 5 ALA HA H 5 2.385 2.385 4.155 -1.770 18292 645 1 2 . 1 1 5 5 ALA C C 5 174.164 174.164 176.696 -2.532 18292 646 1 2 . 1 1 5 5 ALA CA C 5 49.205 49.205 51.072 -1.867 18292 647 1 2 . 1 1 5 5 ALA CB C 5 17.058 17.058 18.734 -1.676 18292 648 1 2 . 1 1 5 5 ALA H H 5 7.415 7.415 7.762 -0.347 18292 649 1 2 . 1 1 6 6 THR N N 6 112.768 112.768 113.172 -0.404 18292 650 1 2 . 1 1 6 6 THR HA H 6 4.393 4.393 4.539 -0.146 18292 651 1 2 . 1 1 6 6 THR C C 6 168.908 168.908 175.078 -6.170 18292 652 1 2 . 1 1 6 6 THR CA C 6 56.371 56.371 60.255 -3.885 18292 653 1 2 . 1 1 6 6 THR CB C 6 68.874 68.874 70.949 -2.075 18292 654 1 2 . 1 1 6 6 THR H H 6 6.601 6.601 7.599 -0.998 18292 655 1 2 . 1 1 7 7 GLN N N 7 111.707 111.707 116.878 -5.171 18292 656 1 2 . 1 1 7 7 GLN HA H 7 4.344 4.344 4.471 -0.127 18292 657 1 2 . 1 1 7 7 GLN C C 7 171.068 171.068 175.558 -4.490 18292 658 1 2 . 1 1 7 7 GLN CA C 7 53.795 53.795 56.551 -2.756 18292 659 1 2 . 1 1 7 7 GLN CB C 7 28.252 28.252 27.937 0.315 18292 660 1 2 . 1 1 7 7 GLN H H 7 8.547 8.547 8.775 -0.228 18292 661 1 2 . 1 1 8 8 CYS N N 8 118.669 118.669 118.746 -0.077 18292 662 1 2 . 1 1 8 8 CYS HA H 8 5.389 5.389 4.733 0.656 18292 663 1 2 . 1 1 8 8 CYS C C 8 171.026 171.026 173.380 -2.354 18292 664 1 2 . 1 1 8 8 CYS CA C 8 53.652 53.652 57.169 -3.517 18292 665 1 2 . 1 1 8 8 CYS CB C 8 29.416 29.416 30.965 -1.549 18292 666 1 2 . 1 1 8 8 CYS H H 8 8.558 8.558 7.437 1.121 18292 667 1 2 . 1 1 9 9 PHE N N 9 117.117 117.117 119.619 -2.502 18292 668 1 2 . 1 1 9 9 PHE HA H 9 5.369 5.369 5.272 0.097 18292 669 1 2 . 1 1 9 9 PHE C C 9 168.313 168.313 172.605 -4.292 18292 670 1 2 . 1 1 9 9 PHE CA C 9 53.341 53.341 55.558 -2.217 18292 671 1 2 . 1 1 9 9 PHE CB C 9 39.008 39.008 41.428 -2.420 18292 672 1 2 . 1 1 9 9 PHE H H 9 9.533 9.533 8.449 1.084 18292 673 1 2 . 1 1 10 10 GLN N N 10 118.344 118.344 116.725 1.619 18292 674 1 2 . 1 1 10 10 GLN HA H 10 5.063 5.063 4.805 0.258 18292 675 1 2 . 1 1 10 10 GLN C C 10 173.280 173.280 174.150 -0.870 18292 676 1 2 . 1 1 10 10 GLN CA C 10 50.242 50.242 53.491 -3.249 18292 677 1 2 . 1 1 10 10 GLN CB C 10 30.263 30.263 32.133 -1.870 18292 678 1 2 . 1 1 10 10 GLN H H 10 9.299 9.299 8.952 0.347 18292 679 1 2 . 1 1 11 11 LEU N N 11 128.664 128.664 119.286 9.378 18292 680 1 2 . 1 1 11 11 LEU HA H 11 5.474 5.474 5.083 0.391 18292 681 1 2 . 1 1 11 11 LEU C C 11 173.987 173.987 177.074 -3.087 18292 682 1 2 . 1 1 11 11 LEU CA C 11 50.153 50.153 53.239 -3.086 18292 683 1 2 . 1 1 11 11 LEU CB C 11 41.779 41.779 45.534 -3.755 18292 684 1 2 . 1 1 11 11 LEU H H 11 9.679 9.679 7.706 1.973 18292 685 1 2 . 1 1 12 12 SER N N 12 115.661 115.661 115.251 0.410 18292 686 1 2 . 1 1 12 12 SER HA H 12 4.877 4.877 4.766 0.111 18292 687 1 2 . 1 1 12 12 SER C C 12 170.086 170.086 173.093 -3.007 18292 688 1 2 . 1 1 12 12 SER CA C 12 54.698 54.698 57.899 -3.201 18292 689 1 2 . 1 1 12 12 SER CB C 12 63.054 63.054 63.172 -0.118 18292 690 1 2 . 1 1 12 12 SER H H 12 8.717 8.717 8.277 0.440 18292 691 1 2 . 1 1 13 13 ASN N N 13 114.812 114.812 118.232 -3.420 18292 692 1 2 . 1 1 13 13 ASN HA H 13 4.165 4.165 4.637 -0.472 18292 693 1 2 . 1 1 13 13 ASN C C 13 171.867 171.867 174.119 -2.252 18292 694 1 2 . 1 1 13 13 ASN CA C 13 51.269 51.269 53.744 -2.475 18292 695 1 2 . 1 1 13 13 ASN CB C 13 34.988 34.988 40.168 -5.180 18292 696 1 2 . 1 1 13 13 ASN H H 13 8.563 8.563 7.765 0.798 18292 697 1 2 . 1 1 14 14 MET N N 14 113.100 113.100 118.393 -5.293 18292 698 1 2 . 1 1 14 14 MET HA H 14 4.258 4.258 3.569 0.689 18292 699 1 2 . 1 1 14 14 MET C C 14 171.935 171.935 174.430 -2.495 18292 700 1 2 . 1 1 14 14 MET CA C 14 53.020 53.020 54.707 -1.687 18292 701 1 2 . 1 1 14 14 MET CB C 14 29.746 29.746 30.975 -1.229 18292 702 1 2 . 1 1 14 14 MET H H 14 8.261 8.261 7.642 0.619 18292 703 1 2 . 1 1 15 15 PHE N N 15 108.769 108.769 110.664 -1.895 18292 704 1 2 . 1 1 15 15 PHE HA H 15 4.485 4.485 4.981 -0.496 18292 705 1 2 . 1 1 15 15 PHE C C 15 170.024 170.024 172.924 -2.900 18292 706 1 2 . 1 1 15 15 PHE CA C 15 53.080 53.080 55.880 -2.800 18292 707 1 2 . 1 1 15 15 PHE CB C 15 36.300 36.300 39.361 -3.061 18292 708 1 2 . 1 1 15 15 PHE H H 15 6.804 6.804 6.812 -0.008 18292 709 1 2 . 1 1 16 16 ASN N N 16 117.922 117.922 115.816 2.106 18292 710 1 2 . 1 1 16 16 ASN HA H 16 4.932 4.932 5.192 -0.260 18292 711 1 2 . 1 1 16 16 ASN CA C 16 47.510 47.510 50.323 -2.813 18292 712 1 2 . 1 1 16 16 ASN CB C 16 36.512 36.512 39.306 -2.795 18292 713 1 2 . 1 1 16 16 ASN H H 16 8.681 8.681 8.556 0.125 18292 714 1 2 . 1 1 17 17 PRO HA H 17 4.102 4.102 4.516 -0.413 18292 715 1 2 . 1 1 17 17 PRO C C 17 174.773 174.773 176.606 -1.833 18292 716 1 2 . 1 1 17 17 PRO CA C 17 61.933 61.933 64.414 -2.481 18292 717 1 2 . 1 1 17 17 PRO CB C 17 29.557 29.557 32.051 -2.494 18292 718 1 2 . 1 1 18 18 GLN N N 18 116.462 116.462 115.114 1.348 18292 719 1 2 . 1 1 18 18 GLN HA H 18 4.146 4.146 4.554 -0.408 18292 720 1 2 . 1 1 18 18 GLN C C 18 174.423 174.423 175.926 -1.503 18292 721 1 2 . 1 1 18 18 GLN CA C 18 54.067 54.067 54.896 -0.829 18292 722 1 2 . 1 1 18 18 GLN CB C 18 26.326 26.326 29.642 -3.316 18292 723 1 2 . 1 1 18 18 GLN H H 18 7.934 7.934 8.036 -0.102 18292 724 1 2 . 1 1 19 19 THR N N 19 112.362 112.362 118.484 -6.122 18292 725 1 2 . 1 1 19 19 THR HA H 19 4.176 4.176 3.956 0.220 18292 726 1 2 . 1 1 19 19 THR C C 19 171.908 171.908 173.426 -1.518 18292 727 1 2 . 1 1 19 19 THR CA C 19 59.509 59.509 62.650 -3.141 18292 728 1 2 . 1 1 19 19 THR CB C 19 66.360 66.360 67.750 -1.390 18292 729 1 2 . 1 1 19 19 THR H H 19 7.723 7.723 7.511 0.212 18292 730 1 2 . 1 1 20 20 GLU N N 20 120.326 120.326 122.737 -2.411 18292 731 1 2 . 1 1 20 20 GLU HA H 20 3.658 3.658 4.352 -0.694 18292 732 1 2 . 1 1 20 20 GLU C C 20 173.311 173.311 175.559 -2.248 18292 733 1 2 . 1 1 20 20 GLU CA C 20 53.164 53.164 55.579 -2.415 18292 734 1 2 . 1 1 20 20 GLU CB C 20 25.837 25.837 29.535 -3.697 18292 735 1 2 . 1 1 20 20 GLU H H 20 7.312 7.312 8.040 -0.728 18292 736 1 2 . 1 1 21 21 GLU N N 21 120.796 120.796 122.069 -1.273 18292 737 1 2 . 1 1 21 21 GLU HA H 21 4.162 4.162 4.470 -0.308 18292 738 1 2 . 1 1 21 21 GLU C C 21 173.747 173.747 175.159 -1.412 18292 739 1 2 . 1 1 21 21 GLU CA C 21 53.873 53.873 56.810 -2.937 18292 740 1 2 . 1 1 21 21 GLU CB C 21 28.445 28.445 30.128 -1.683 18292 741 1 2 . 1 1 21 21 GLU H H 21 8.011 8.011 8.642 -0.631 18292 742 1 2 . 1 1 22 22 GLU N N 22 121.370 121.370 118.186 3.184 18292 743 1 2 . 1 1 22 22 GLU HA H 22 4.393 4.393 4.615 -0.222 18292 744 1 2 . 1 1 22 22 GLU C C 22 173.536 173.536 175.014 -1.478 18292 745 1 2 . 1 1 22 22 GLU CA C 22 52.982 52.982 55.555 -2.573 18292 746 1 2 . 1 1 22 22 GLU CB C 22 28.012 28.012 31.312 -3.300 18292 747 1 2 . 1 1 22 22 GLU H H 22 8.039 8.039 7.808 0.231 18292 748 1 2 . 1 1 23 23 VAL N N 23 123.340 123.340 119.911 3.429 18292 749 1 2 . 1 1 23 23 VAL HA H 23 3.901 3.901 4.455 -0.554 18292 750 1 2 . 1 1 23 23 VAL C C 23 175.077 175.077 176.446 -1.369 18292 751 1 2 . 1 1 23 23 VAL CA C 23 61.540 61.540 61.763 -0.223 18292 752 1 2 . 1 1 23 23 VAL CB C 23 29.361 29.361 32.851 -3.490 18292 753 1 2 . 1 1 23 23 VAL H H 23 8.447 8.447 8.396 0.051 18292 754 1 2 . 1 1 24 24 GLY N N 24 114.476 114.476 114.292 0.184 18292 755 1 2 . 1 1 24 24 GLY C C 24 173.717 173.717 175.773 -2.056 18292 756 1 2 . 1 1 24 24 GLY CA C 24 42.667 42.667 45.569 -2.902 18292 757 1 2 . 1 1 24 24 GLY H H 24 9.087 9.087 8.777 0.310 18292 758 1 2 . 1 1 25 25 TRP N N 25 121.382 121.382 119.929 1.453 18292 759 1 2 . 1 1 25 25 TRP HA H 25 4.214 4.214 4.706 -0.492 18292 760 1 2 . 1 1 25 25 TRP C C 25 174.056 174.056 175.576 -1.520 18292 761 1 2 . 1 1 25 25 TRP CA C 25 56.093 56.093 57.220 -1.127 18292 762 1 2 . 1 1 25 25 TRP CB C 25 25.016 25.016 28.768 -3.752 18292 763 1 2 . 1 1 26 26 ASP N N 26 118.789 118.789 119.224 -0.435 18292 764 1 2 . 1 1 26 26 ASP HA H 26 3.261 3.261 4.288 -1.028 18292 765 1 2 . 1 1 26 26 ASP C C 26 174.709 174.709 177.901 -3.192 18292 766 1 2 . 1 1 26 26 ASP CA C 26 52.705 52.705 55.415 -2.710 18292 767 1 2 . 1 1 26 26 ASP CB C 26 34.503 34.503 39.888 -5.385 18292 768 1 2 . 1 1 26 26 ASP H H 26 7.939 7.939 7.915 0.024 18292 769 1 2 . 1 1 27 27 THR N N 27 118.934 118.934 117.767 1.167 18292 770 1 2 . 1 1 27 27 THR HA H 27 3.552 3.552 3.886 -0.334 18292 771 1 2 . 1 1 27 27 THR C C 27 172.390 172.390 176.130 -3.740 18292 772 1 2 . 1 1 27 27 THR CA C 27 63.307 63.307 67.583 -4.276 18292 773 1 2 . 1 1 27 27 THR CB C 27 65.331 65.331 68.729 -3.398 18292 774 1 2 . 1 1 27 27 THR H H 27 7.103 7.103 8.217 -1.114 18292 775 1 2 . 1 1 28 28 GLU N N 28 120.484 120.484 120.970 -0.486 18292 776 1 2 . 1 1 28 28 GLU HA H 28 3.978 3.978 4.122 -0.143 18292 777 1 2 . 1 1 28 28 GLU C C 28 175.447 175.447 178.980 -3.533 18292 778 1 2 . 1 1 28 28 GLU CA C 28 56.760 56.760 59.489 -2.729 18292 779 1 2 . 1 1 28 28 GLU CB C 28 26.418 26.418 29.212 -2.794 18292 780 1 2 . 1 1 28 28 GLU H H 28 7.473 7.473 8.402 -0.929 18292 781 1 2 . 1 1 29 29 ILE N N 29 116.961 116.961 118.728 -1.767 18292 782 1 2 . 1 1 29 29 ILE HA H 29 3.773 3.773 3.876 -0.103 18292 783 1 2 . 1 1 29 29 ILE C C 29 174.605 174.605 178.066 -3.461 18292 784 1 2 . 1 1 29 29 ILE CA C 29 61.243 61.243 65.207 -3.964 18292 785 1 2 . 1 1 29 29 ILE CB C 29 35.267 35.267 37.868 -2.601 18292 786 1 2 . 1 1 29 29 ILE H H 29 7.113 7.113 8.004 -0.891 18292 787 1 2 . 1 1 30 30 LYS N N 30 118.457 118.457 120.773 -2.316 18292 788 1 2 . 1 1 30 30 LYS HA H 30 3.430 3.430 3.876 -0.446 18292 789 1 2 . 1 1 30 30 LYS C C 30 174.886 174.886 178.187 -3.301 18292 790 1 2 . 1 1 30 30 LYS CA C 30 57.872 57.872 59.974 -2.102 18292 791 1 2 . 1 1 30 30 LYS CB C 30 29.680 29.680 31.979 -2.299 18292 792 1 2 . 1 1 30 30 LYS H H 30 7.480 7.480 7.467 0.013 18292 793 1 2 . 1 1 31 31 ASP N N 31 118.630 118.630 119.939 -1.309 18292 794 1 2 . 1 1 31 31 ASP HA H 31 4.233 4.233 4.305 -0.072 18292 795 1 2 . 1 1 31 31 ASP C C 31 175.558 175.558 178.234 -2.676 18292 796 1 2 . 1 1 31 31 ASP CA C 31 55.137 55.137 57.756 -2.619 18292 797 1 2 . 1 1 31 31 ASP CB C 31 36.829 36.829 40.683 -3.854 18292 798 1 2 . 1 1 31 31 ASP H H 31 8.334 8.334 8.167 0.167 18292 799 1 2 . 1 1 32 32 ASP N N 32 120.576 120.576 119.916 0.660 18292 800 1 2 . 1 1 32 32 ASP HA H 32 4.277 4.277 4.455 -0.178 18292 801 1 2 . 1 1 32 32 ASP C C 32 176.966 176.966 179.189 -2.223 18292 802 1 2 . 1 1 32 32 ASP CA C 32 54.829 54.829 57.225 -2.396 18292 803 1 2 . 1 1 32 32 ASP CB C 32 37.331 37.331 40.825 -3.494 18292 804 1 2 . 1 1 32 32 ASP H H 32 8.189 8.189 8.156 0.033 18292 805 1 2 . 1 1 33 33 VAL N N 33 121.083 121.083 118.909 2.174 18292 806 1 2 . 1 1 33 33 VAL HA H 33 3.444 3.444 3.725 -0.281 18292 807 1 2 . 1 1 33 33 VAL C C 33 175.529 175.529 177.959 -2.430 18292 808 1 2 . 1 1 33 33 VAL CA C 33 64.511 64.511 65.671 -1.159 18292 809 1 2 . 1 1 33 33 VAL CB C 33 28.920 28.920 31.895 -2.975 18292 810 1 2 . 1 1 33 33 VAL H H 33 8.069 8.069 7.283 0.786 18292 811 1 2 . 1 1 34 34 ILE N N 34 122.145 122.145 121.373 0.772 18292 812 1 2 . 1 1 34 34 ILE HA H 34 3.272 3.272 3.598 -0.326 18292 813 1 2 . 1 1 34 34 ILE C C 34 174.723 174.723 177.881 -3.158 18292 814 1 2 . 1 1 34 34 ILE CA C 34 63.723 63.723 65.801 -2.078 18292 815 1 2 . 1 1 34 34 ILE CB C 34 35.949 35.949 37.548 -1.599 18292 816 1 2 . 1 1 34 34 ILE H H 34 8.887 8.887 8.110 0.777 18292 817 1 2 . 1 1 35 35 GLU N N 35 117.927 117.927 118.479 -0.552 18292 818 1 2 . 1 1 35 35 GLU HA H 35 3.830 3.830 4.036 -0.206 18292 819 1 2 . 1 1 35 35 GLU C C 35 176.747 176.747 179.376 -2.629 18292 820 1 2 . 1 1 35 35 GLU CA C 35 57.183 57.183 59.910 -2.727 18292 821 1 2 . 1 1 35 35 GLU CB C 35 26.969 26.969 29.167 -2.198 18292 822 1 2 . 1 1 35 35 GLU H H 35 8.565 8.565 8.528 0.037 18292 823 1 2 . 1 1 36 36 GLU N N 36 117.299 117.299 119.675 -2.376 18292 824 1 2 . 1 1 36 36 GLU HA H 36 4.012 4.012 4.318 -0.306 18292 825 1 2 . 1 1 36 36 GLU C C 36 176.604 176.604 178.893 -2.289 18292 826 1 2 . 1 1 36 36 GLU CA C 36 56.357 56.357 58.732 -2.375 18292 827 1 2 . 1 1 36 36 GLU CB C 36 26.612 26.612 29.633 -3.021 18292 828 1 2 . 1 1 36 36 GLU H H 36 7.523 7.523 7.519 0.004 18292 829 1 2 . 1 1 37 37 CYS N N 37 116.308 116.308 119.043 -2.735 18292 830 1 2 . 1 1 37 37 CYS HA H 37 4.141 4.141 4.241 -0.100 18292 831 1 2 . 1 1 37 37 CYS C C 37 175.888 175.888 177.211 -1.323 18292 832 1 2 . 1 1 37 37 CYS CA C 37 61.915 61.915 64.114 -2.199 18292 833 1 2 . 1 1 37 37 CYS CB C 37 24.513 24.513 26.650 -2.137 18292 834 1 2 . 1 1 37 37 CYS H H 37 8.754 8.754 8.731 0.023 18292 835 1 2 . 1 1 38 38 ASN N N 38 121.598 121.598 118.805 2.793 18292 836 1 2 . 1 1 38 38 ASN HA H 38 4.452 4.452 4.485 -0.033 18292 837 1 2 . 1 1 38 38 ASN C C 38 174.340 174.340 177.858 -3.518 18292 838 1 2 . 1 1 38 38 ASN CA C 38 52.249 52.249 56.323 -4.074 18292 839 1 2 . 1 1 38 38 ASN CB C 38 34.488 34.488 37.960 -3.472 18292 840 1 2 . 1 1 38 38 ASN H H 38 8.800 8.800 8.928 -0.128 18292 841 1 2 . 1 1 39 39 LYS N N 39 119.297 119.297 118.940 0.357 18292 842 1 2 . 1 1 39 39 LYS HA H 39 4.002 4.002 4.044 -0.042 18292 843 1 2 . 1 1 39 39 LYS C C 39 174.388 174.388 177.889 -3.501 18292 844 1 2 . 1 1 39 39 LYS CA C 39 55.239 55.239 58.735 -3.496 18292 845 1 2 . 1 1 39 39 LYS CB C 39 29.477 29.477 31.713 -2.236 18292 846 1 2 . 1 1 39 39 LYS H H 39 7.427 7.427 7.882 -0.455 18292 847 1 2 . 1 1 40 40 HIS N N 40 114.421 114.421 115.540 -1.119 18292 848 1 2 . 1 1 40 40 HIS HA H 40 4.896 4.896 4.730 0.166 18292 849 1 2 . 1 1 40 40 HIS C C 40 171.895 171.895 175.040 -3.145 18292 850 1 2 . 1 1 40 40 HIS CA C 40 51.758 51.758 56.772 -5.014 18292 851 1 2 . 1 1 40 40 HIS CB C 40 28.775 28.775 30.177 -1.401 18292 852 1 2 . 1 1 40 40 HIS H H 40 7.453 7.453 7.755 -0.302 18292 853 1 2 . 1 1 41 41 GLY N N 41 106.587 106.587 106.204 0.383 18292 854 1 2 . 1 1 41 41 GLY C C 41 171.376 171.376 173.981 -2.605 18292 855 1 2 . 1 1 41 41 GLY CA C 41 42.388 42.388 44.996 -2.608 18292 856 1 2 . 1 1 41 41 GLY H H 41 7.599 7.599 7.784 -0.185 18292 857 1 2 . 1 1 42 42 GLY N N 42 107.066 107.066 107.687 -0.621 18292 858 1 2 . 1 1 42 42 GLY C C 42 169.120 169.120 172.183 -3.063 18292 859 1 2 . 1 1 42 42 GLY CA C 42 41.518 41.518 44.757 -3.239 18292 860 1 2 . 1 1 42 42 GLY H H 42 7.942 7.942 8.206 -0.264 18292 861 1 2 . 1 1 43 43 VAL N N 43 114.640 114.640 119.064 -4.424 18292 862 1 2 . 1 1 43 43 VAL HA H 43 4.527 4.527 4.803 -0.276 18292 863 1 2 . 1 1 43 43 VAL C C 43 169.861 169.861 174.465 -4.604 18292 864 1 2 . 1 1 43 43 VAL CA C 43 58.404 58.404 59.888 -1.484 18292 865 1 2 . 1 1 43 43 VAL CB C 43 31.692 31.692 34.717 -3.025 18292 866 1 2 . 1 1 43 43 VAL H H 43 8.679 8.679 8.494 0.185 18292 867 1 2 . 1 1 44 44 ILE N N 44 115.792 115.792 121.328 -5.536 18292 868 1 2 . 1 1 44 44 ILE HA H 44 4.918 4.918 4.957 -0.039 18292 869 1 2 . 1 1 44 44 ILE C C 44 172.246 172.246 174.558 -2.312 18292 870 1 2 . 1 1 44 44 ILE CA C 44 57.770 57.770 60.655 -2.885 18292 871 1 2 . 1 1 44 44 ILE CB C 44 37.197 37.197 39.700 -2.503 18292 872 1 2 . 1 1 44 44 ILE H H 44 8.587 8.587 8.892 -0.305 18292 873 1 2 . 1 1 45 45 HIS N N 45 122.684 122.684 118.553 4.131 18292 874 1 2 . 1 1 45 45 HIS HA H 45 4.426 4.426 4.819 -0.393 18292 875 1 2 . 1 1 45 45 HIS C C 45 168.452 168.452 172.617 -4.165 18292 876 1 2 . 1 1 45 45 HIS CA C 45 55.548 55.548 55.624 -0.076 18292 877 1 2 . 1 1 45 45 HIS CB C 45 31.632 31.632 33.715 -2.083 18292 878 1 2 . 1 1 45 45 HIS H H 45 7.791 7.791 7.534 0.257 18292 879 1 2 . 1 1 46 46 ILE N N 46 123.917 123.917 123.889 0.028 18292 880 1 2 . 1 1 46 46 ILE HA H 46 5.120 5.120 4.739 0.381 18292 881 1 2 . 1 1 46 46 ILE C C 46 170.171 170.171 173.204 -3.033 18292 882 1 2 . 1 1 46 46 ILE CA C 46 56.063 56.063 59.150 -3.087 18292 883 1 2 . 1 1 46 46 ILE CB C 46 39.753 39.753 41.340 -1.587 18292 884 1 2 . 1 1 46 46 ILE H H 46 7.391 7.391 7.770 -0.379 18292 885 1 2 . 1 1 47 47 TYR N N 47 125.750 125.750 128.654 -2.904 18292 886 1 2 . 1 1 47 47 TYR HA H 47 4.370 4.370 4.606 -0.236 18292 887 1 2 . 1 1 47 47 TYR C C 47 171.029 171.029 173.233 -2.204 18292 888 1 2 . 1 1 47 47 TYR CA C 47 54.800 54.800 57.293 -2.493 18292 889 1 2 . 1 1 47 47 TYR CB C 47 39.851 39.851 41.188 -1.337 18292 890 1 2 . 1 1 47 47 TYR H H 47 9.055 9.055 8.799 0.256 18292 891 1 2 . 1 1 48 48 VAL N N 48 129.720 129.720 128.454 1.266 18292 892 1 2 . 1 1 48 48 VAL HA H 48 3.869 3.869 4.029 -0.160 18292 893 1 2 . 1 1 48 48 VAL C C 48 170.949 170.949 174.752 -3.803 18292 894 1 2 . 1 1 48 48 VAL CA C 48 59.328 59.328 62.181 -2.853 18292 895 1 2 . 1 1 48 48 VAL CB C 48 29.022 29.022 31.372 -2.350 18292 896 1 2 . 1 1 48 48 VAL H H 48 8.290 8.290 8.582 -0.292 18292 897 1 2 . 1 1 49 49 ASP N N 49 125.287 125.287 129.151 -3.864 18292 898 1 2 . 1 1 49 49 ASP HA H 49 4.703 4.703 4.614 0.089 18292 899 1 2 . 1 1 49 49 ASP C C 49 173.851 173.851 176.850 -2.999 18292 900 1 2 . 1 1 49 49 ASP CA C 49 50.349 50.349 52.118 -1.769 18292 901 1 2 . 1 1 49 49 ASP CB C 49 38.139 38.139 40.332 -2.193 18292 902 1 2 . 1 1 49 49 ASP H H 49 8.274 8.274 8.085 0.189 18292 903 1 2 . 1 1 50 50 LYS N N 50 125.099 125.099 126.612 -1.513 18292 904 1 2 . 1 1 50 50 LYS HA H 50 4.096 4.096 3.894 0.202 18292 905 1 2 . 1 1 50 50 LYS C C 50 173.120 173.120 178.006 -4.886 18292 906 1 2 . 1 1 50 50 LYS CA C 50 56.284 56.284 59.587 -3.303 18292 907 1 2 . 1 1 50 50 LYS CB C 50 29.763 29.763 31.874 -2.111 18292 908 1 2 . 1 1 50 50 LYS H H 50 8.090 8.090 7.875 0.215 18292 909 1 2 . 1 1 51 51 ASN N N 51 114.422 114.422 116.971 -2.549 18292 910 1 2 . 1 1 51 51 ASN HA H 51 4.931 4.931 4.740 0.191 18292 911 1 2 . 1 1 51 51 ASN C C 51 172.685 172.685 175.740 -3.055 18292 912 1 2 . 1 1 51 51 ASN CA C 51 50.744 50.744 53.922 -3.178 18292 913 1 2 . 1 1 51 51 ASN CB C 51 37.036 37.036 39.227 -2.191 18292 914 1 2 . 1 1 51 51 ASN H H 51 8.272 8.272 8.245 0.027 18292 915 1 2 . 1 1 52 52 SER N N 52 115.013 115.013 116.112 -1.099 18292 916 1 2 . 1 1 52 52 SER HA H 52 4.410 4.410 4.456 -0.046 18292 917 1 2 . 1 1 52 52 SER C C 52 172.628 172.628 174.586 -1.958 18292 918 1 2 . 1 1 52 52 SER CA C 52 55.035 55.035 59.215 -4.180 18292 919 1 2 . 1 1 52 52 SER CB C 52 61.604 61.604 64.012 -2.408 18292 920 1 2 . 1 1 52 52 SER H H 52 7.920 7.920 7.810 0.110 18292 921 1 2 . 1 1 53 53 ALA N N 53 129.163 129.163 122.980 6.183 18292 922 1 2 . 1 1 53 53 ALA HA H 53 4.088 4.088 4.394 -0.306 18292 923 1 2 . 1 1 53 53 ALA C C 53 175.951 175.951 177.881 -1.930 18292 924 1 2 . 1 1 53 53 ALA CA C 53 51.409 51.409 52.942 -1.533 18292 925 1 2 . 1 1 53 53 ALA CB C 53 15.878 15.878 20.116 -4.238 18292 926 1 2 . 1 1 53 53 ALA H H 53 8.837 8.837 8.504 0.333 18292 927 1 2 . 1 1 54 54 GLN N N 54 113.081 113.081 118.459 -5.378 18292 928 1 2 . 1 1 54 54 GLN HA H 54 4.202 4.202 4.410 -0.208 18292 929 1 2 . 1 1 54 54 GLN C C 54 173.388 173.388 175.255 -1.867 18292 930 1 2 . 1 1 54 54 GLN CA C 54 52.993 52.993 54.375 -1.382 18292 931 1 2 . 1 1 54 54 GLN CB C 54 26.360 26.360 29.511 -3.151 18292 932 1 2 . 1 1 54 54 GLN H H 54 7.836 7.836 7.781 0.055 18292 933 1 2 . 1 1 55 55 GLY N N 55 108.967 108.967 107.431 1.536 18292 934 1 2 . 1 1 55 55 GLY CA C 55 45.087 45.087 44.953 0.134 18292 935 1 2 . 1 1 55 55 GLY H H 55 7.191 7.191 8.391 -1.200 18292 936 1 2 . 1 1 56 56 ASN N N 56 114.505 114.505 116.888 -2.383 18292 937 1 2 . 1 1 56 56 ASN HA H 56 5.520 5.520 4.753 0.767 18292 938 1 2 . 1 1 56 56 ASN C C 56 172.166 172.166 174.501 -2.335 18292 939 1 2 . 1 1 56 56 ASN CA C 56 50.462 50.462 54.337 -3.875 18292 940 1 2 . 1 1 56 56 ASN CB C 56 38.400 38.400 40.012 -1.612 18292 941 1 2 . 1 1 56 56 ASN H H 56 7.614 7.614 7.789 -0.175 18292 942 1 2 . 1 1 57 57 VAL N N 57 119.859 119.859 118.731 1.128 18292 943 1 2 . 1 1 57 57 VAL HA H 57 4.692 4.692 4.464 0.228 18292 944 1 2 . 1 1 57 57 VAL C C 57 170.667 170.667 174.571 -3.904 18292 945 1 2 . 1 1 57 57 VAL CA C 57 58.163 58.163 60.904 -2.741 18292 946 1 2 . 1 1 57 57 VAL CB C 57 33.663 33.663 36.355 -2.692 18292 947 1 2 . 1 1 57 57 VAL H H 57 8.354 8.354 7.643 0.711 18292 948 1 2 . 1 1 58 58 TYR N N 58 128.478 128.478 122.489 5.989 18292 949 1 2 . 1 1 58 58 TYR HA H 58 4.937 4.937 4.668 0.269 18292 950 1 2 . 1 1 58 58 TYR C C 58 170.605 170.605 174.625 -4.020 18292 951 1 2 . 1 1 58 58 TYR CA C 58 55.354 55.354 57.446 -2.092 18292 952 1 2 . 1 1 58 58 TYR CB C 58 37.775 37.775 41.617 -3.842 18292 953 1 2 . 1 1 58 58 TYR H H 58 9.275 9.275 8.856 0.419 18292 954 1 2 . 1 1 59 59 VAL N N 59 123.117 123.117 120.103 3.014 18292 955 1 2 . 1 1 59 59 VAL HA H 59 4.462 4.462 4.743 -0.281 18292 956 1 2 . 1 1 59 59 VAL C C 59 170.875 170.875 174.156 -3.281 18292 957 1 2 . 1 1 59 59 VAL CA C 59 58.527 58.527 60.081 -1.554 18292 958 1 2 . 1 1 59 59 VAL CB C 59 32.611 32.611 36.077 -3.466 18292 959 1 2 . 1 1 59 59 VAL H H 59 8.860 8.860 8.453 0.407 18292 960 1 2 . 1 1 60 60 LYS N N 60 123.266 123.266 122.439 0.827 18292 961 1 2 . 1 1 60 60 LYS HA H 60 4.745 4.745 4.937 -0.192 18292 962 1 2 . 1 1 60 60 LYS C C 60 173.399 173.399 174.982 -1.583 18292 963 1 2 . 1 1 60 60 LYS CA C 60 52.207 52.207 54.819 -2.611 18292 964 1 2 . 1 1 60 60 LYS CB C 60 34.244 34.244 36.993 -2.749 18292 965 1 2 . 1 1 60 60 LYS H H 60 8.668 8.668 8.064 0.604 18292 966 1 2 . 1 1 61 61 CYS N N 61 125.267 125.267 123.112 2.155 18292 967 1 2 . 1 1 61 61 CYS HA H 61 4.740 4.740 4.989 -0.249 18292 968 1 2 . 1 1 61 61 CYS CA C 61 56.393 56.393 55.372 1.021 18292 969 1 2 . 1 1 61 61 CYS CB C 61 27.416 27.416 29.529 -2.112 18292 970 1 2 . 1 1 61 61 CYS H H 61 9.207 9.207 8.960 0.247 18292 971 1 2 . 1 1 62 62 PRO HA H 62 4.266 4.266 4.380 -0.114 18292 972 1 2 . 1 1 62 62 PRO C C 62 171.443 171.443 175.937 -4.494 18292 973 1 2 . 1 1 62 62 PRO CA C 62 61.167 61.167 64.455 -3.288 18292 974 1 2 . 1 1 62 62 PRO CB C 62 29.450 29.450 32.601 -3.151 18292 975 1 2 . 1 1 63 63 SER N N 63 108.558 108.558 112.166 -3.608 18292 976 1 2 . 1 1 63 63 SER HA H 63 4.606 4.606 4.704 -0.098 18292 977 1 2 . 1 1 63 63 SER C C 63 171.147 171.147 174.279 -3.132 18292 978 1 2 . 1 1 63 63 SER CA C 63 53.259 53.259 56.921 -3.662 18292 979 1 2 . 1 1 63 63 SER CB C 63 63.378 63.378 66.270 -2.892 18292 980 1 2 . 1 1 63 63 SER H H 63 6.990 6.990 7.704 -0.714 18292 981 1 2 . 1 1 64 64 ILE N N 64 122.885 122.885 125.861 -2.976 18292 982 1 2 . 1 1 64 64 ILE HA H 64 3.462 3.462 3.679 -0.217 18292 983 1 2 . 1 1 64 64 ILE C C 64 174.204 174.204 177.847 -3.643 18292 984 1 2 . 1 1 64 64 ILE CA C 64 62.955 62.955 65.438 -2.483 18292 985 1 2 . 1 1 64 64 ILE CB C 64 35.297 35.297 37.982 -2.685 18292 986 1 2 . 1 1 64 64 ILE H H 64 8.786 8.786 8.965 -0.179 18292 987 1 2 . 1 1 65 65 ALA N N 65 120.653 120.653 123.607 -2.954 18292 988 1 2 . 1 1 65 65 ALA HA H 65 3.890 3.890 3.922 -0.032 18292 989 1 2 . 1 1 65 65 ALA C C 65 177.926 177.926 178.997 -1.071 18292 990 1 2 . 1 1 65 65 ALA CA C 65 52.772 52.772 55.165 -2.393 18292 991 1 2 . 1 1 65 65 ALA CB C 65 15.552 15.552 17.821 -2.269 18292 992 1 2 . 1 1 65 65 ALA H H 65 8.287 8.287 8.298 -0.011 18292 993 1 2 . 1 1 66 66 ALA N N 66 119.802 119.802 119.773 0.029 18292 994 1 2 . 1 1 66 66 ALA HA H 66 4.344 4.344 4.550 -0.206 18292 995 1 2 . 1 1 66 66 ALA C C 66 176.063 176.063 179.398 -3.335 18292 996 1 2 . 1 1 66 66 ALA CA C 66 52.108 52.108 54.143 -2.035 18292 997 1 2 . 1 1 66 66 ALA CB C 66 16.106 16.106 18.501 -2.395 18292 998 1 2 . 1 1 66 66 ALA H H 66 7.952 7.952 8.218 -0.266 18292 999 1 2 . 1 1 67 67 ALA N N 67 121.626 121.626 122.914 -1.288 18292 1000 1 2 . 1 1 67 67 ALA HA H 67 4.398 4.398 3.872 0.526 18292 1001 1 2 . 1 1 67 67 ALA C C 67 175.824 175.824 178.986 -3.162 18292 1002 1 2 . 1 1 67 67 ALA CA C 67 53.135 53.135 54.703 -1.569 18292 1003 1 2 . 1 1 67 67 ALA CB C 67 17.020 17.020 18.692 -1.672 18292 1004 1 2 . 1 1 67 67 ALA H H 67 7.332 7.332 7.346 -0.014 18292 1005 1 2 . 1 1 68 68 ILE N N 68 117.793 117.793 120.400 -2.607 18292 1006 1 2 . 1 1 68 68 ILE HA H 68 4.185 4.185 3.715 0.470 18292 1007 1 2 . 1 1 68 68 ILE C C 68 176.163 176.163 178.439 -2.276 18292 1008 1 2 . 1 1 68 68 ILE CA C 68 61.323 61.323 65.201 -3.878 18292 1009 1 2 . 1 1 68 68 ILE CB C 68 36.657 36.657 37.767 -1.110 18292 1010 1 2 . 1 1 68 68 ILE H H 68 8.655 8.655 8.164 0.491 18292 1011 1 2 . 1 1 69 69 ALA N N 69 119.051 119.051 120.838 -1.787 18292 1012 1 2 . 1 1 69 69 ALA HA H 69 3.836 3.836 3.938 -0.102 18292 1013 1 2 . 1 1 69 69 ALA C C 69 177.325 177.325 178.925 -1.600 18292 1014 1 2 . 1 1 69 69 ALA CA C 69 51.781 51.781 55.277 -3.496 18292 1015 1 2 . 1 1 69 69 ALA CB C 69 15.767 15.767 18.016 -2.249 18292 1016 1 2 . 1 1 69 69 ALA H H 69 7.377 7.377 8.296 -0.919 18292 1017 1 2 . 1 1 70 70 ALA N N 70 121.378 121.378 121.089 0.289 18292 1018 1 2 . 1 1 70 70 ALA HA H 70 3.544 3.544 3.261 0.283 18292 1019 1 2 . 1 1 70 70 ALA C C 70 176.012 176.012 179.097 -3.085 18292 1020 1 2 . 1 1 70 70 ALA CA C 70 52.966 52.966 54.173 -1.207 18292 1021 1 2 . 1 1 70 70 ALA CB C 70 16.740 16.740 18.152 -1.412 18292 1022 1 2 . 1 1 70 70 ALA H H 70 7.798 7.798 7.259 0.539 18292 1023 1 2 . 1 1 71 71 VAL N N 71 119.944 119.944 118.555 1.389 18292 1024 1 2 . 1 1 71 71 VAL HA H 71 2.524 2.524 3.087 -0.563 18292 1025 1 2 . 1 1 71 71 VAL C C 71 175.408 175.408 177.746 -2.338 18292 1026 1 2 . 1 1 71 71 VAL CA C 71 64.993 64.993 67.063 -2.070 18292 1027 1 2 . 1 1 71 71 VAL CB C 71 28.184 28.184 30.871 -2.687 18292 1028 1 2 . 1 1 71 71 VAL H H 71 8.662 8.662 7.782 0.880 18292 1029 1 2 . 1 1 72 72 ASN N N 72 114.981 114.981 117.120 -2.139 18292 1030 1 2 . 1 1 72 72 ASN HA H 72 4.244 4.244 4.304 -0.060 18292 1031 1 2 . 1 1 72 72 ASN C C 72 174.490 174.490 176.479 -1.989 18292 1032 1 2 . 1 1 72 72 ASN CA C 72 52.776 52.776 56.304 -3.529 18292 1033 1 2 . 1 1 72 72 ASN CB C 72 35.394 35.394 38.546 -3.152 18292 1034 1 2 . 1 1 72 72 ASN H H 72 8.061 8.061 7.939 0.121 18292 1035 1 2 . 1 1 73 73 ALA N N 73 120.308 120.308 121.057 -0.749 18292 1036 1 2 . 1 1 73 73 ALA HA H 73 4.162 4.162 4.165 -0.003 18292 1037 1 2 . 1 1 73 73 ALA C C 73 176.245 176.245 178.909 -2.664 18292 1038 1 2 . 1 1 73 73 ALA CA C 73 51.058 51.058 54.190 -3.132 18292 1039 1 2 . 1 1 73 73 ALA CB C 73 17.457 17.457 19.137 -1.680 18292 1040 1 2 . 1 1 73 73 ALA H H 73 7.230 7.230 7.173 0.057 18292 1041 1 2 . 1 1 74 74 LEU N N 74 118.156 118.156 117.968 0.188 18292 1042 1 2 . 1 1 74 74 LEU HA H 74 4.021 4.021 4.028 -0.007 18292 1043 1 2 . 1 1 74 74 LEU C C 74 173.863 173.863 177.231 -3.368 18292 1044 1 2 . 1 1 74 74 LEU CA C 74 53.853 53.853 57.295 -3.442 18292 1045 1 2 . 1 1 74 74 LEU CB C 74 41.552 41.552 42.389 -0.837 18292 1046 1 2 . 1 1 74 74 LEU H H 74 7.856 7.856 7.590 0.266 18292 1047 1 2 . 1 1 75 75 HIS N N 75 117.126 117.126 117.877 -0.751 18292 1048 1 2 . 1 1 75 75 HIS HA H 75 3.830 3.830 4.279 -0.449 18292 1049 1 2 . 1 1 75 75 HIS C C 75 174.851 174.851 176.267 -1.416 18292 1050 1 2 . 1 1 75 75 HIS CA C 75 56.621 56.621 58.199 -1.578 18292 1051 1 2 . 1 1 75 75 HIS CB C 75 28.299 28.299 29.649 -1.350 18292 1052 1 2 . 1 1 75 75 HIS H H 75 8.434 8.434 7.817 0.617 18292 1053 1 2 . 1 1 76 76 GLY N N 76 116.761 116.761 116.468 0.293 18292 1054 1 2 . 1 1 76 76 GLY CA C 76 42.221 42.221 44.586 -2.365 18292 1055 1 2 . 1 1 76 76 GLY H H 76 8.418 8.418 9.048 -0.630 18292 1056 1 2 . 1 1 77 77 ARG N N 77 120.430 120.430 119.931 0.499 18292 1057 1 2 . 1 1 77 77 ARG HA H 77 4.248 4.248 4.288 -0.040 18292 1058 1 2 . 1 1 77 77 ARG C C 77 173.536 173.536 175.257 -1.721 18292 1059 1 2 . 1 1 77 77 ARG CA C 77 53.029 53.029 56.093 -3.064 18292 1060 1 2 . 1 1 77 77 ARG CB C 77 29.058 29.058 31.402 -2.345 18292 1061 1 2 . 1 1 77 77 ARG H H 77 7.385 7.385 7.589 -0.204 18292 1062 1 2 . 1 1 78 78 TRP N N 78 122.989 122.989 120.709 2.280 18292 1063 1 2 . 1 1 78 78 TRP HA H 78 4.941 4.941 5.036 -0.095 18292 1064 1 2 . 1 1 78 78 TRP C C 78 173.888 173.888 176.421 -2.533 18292 1065 1 2 . 1 1 78 78 TRP CA C 78 54.234 54.234 56.969 -2.735 18292 1066 1 2 . 1 1 78 78 TRP CB C 78 26.923 26.923 30.145 -3.222 18292 1067 1 2 . 1 1 78 78 TRP H H 78 8.463 8.463 8.475 -0.012 18292 1068 1 2 . 1 1 79 79 PHE N N 79 126.899 126.899 125.767 1.132 18292 1069 1 2 . 1 1 79 79 PHE HA H 79 4.637 4.637 4.504 0.133 18292 1070 1 2 . 1 1 79 79 PHE C C 79 171.696 171.696 177.118 -5.422 18292 1071 1 2 . 1 1 79 79 PHE CA C 79 54.624 54.624 57.951 -3.327 18292 1072 1 2 . 1 1 79 79 PHE CB C 79 39.577 39.577 41.448 -1.871 18292 1073 1 2 . 1 1 79 79 PHE H H 79 9.500 9.500 9.174 0.326 18292 1074 1 2 . 1 1 80 80 ALA N N 80 130.285 130.285 125.469 4.816 18292 1075 1 2 . 1 1 80 80 ALA HA H 80 3.705 3.705 4.213 -0.508 18292 1076 1 2 . 1 1 80 80 ALA C C 80 174.560 174.560 176.996 -2.436 18292 1077 1 2 . 1 1 80 80 ALA CA C 80 49.993 49.993 52.833 -2.840 18292 1078 1 2 . 1 1 80 80 ALA CB C 80 14.479 14.479 16.706 -2.227 18292 1079 1 2 . 1 1 80 80 ALA H H 80 8.840 8.840 8.299 0.541 18292 1080 1 2 . 1 1 81 81 GLY N N 81 102.771 102.771 107.389 -4.618 18292 1081 1 2 . 1 1 81 81 GLY C C 81 171.087 171.087 173.641 -2.554 18292 1082 1 2 . 1 1 81 81 GLY CA C 81 42.891 42.891 45.019 -2.128 18292 1083 1 2 . 1 1 81 81 GLY H H 81 8.268 8.268 8.765 -0.497 18292 1084 1 2 . 1 1 82 82 LYS N N 82 120.307 120.307 120.036 0.271 18292 1085 1 2 . 1 1 82 82 LYS HA H 82 4.469 4.469 4.800 -0.331 18292 1086 1 2 . 1 1 82 82 LYS C C 82 170.688 170.688 174.494 -3.806 18292 1087 1 2 . 1 1 82 82 LYS CA C 82 52.029 52.029 54.893 -2.864 18292 1088 1 2 . 1 1 82 82 LYS CB C 82 32.776 32.776 35.736 -2.960 18292 1089 1 2 . 1 1 82 82 LYS H H 82 7.791 7.791 7.884 -0.093 18292 1090 1 2 . 1 1 83 83 MET N N 83 121.212 121.212 121.928 -0.716 18292 1091 1 2 . 1 1 83 83 MET HA H 83 3.871 3.871 4.078 -0.207 18292 1092 1 2 . 1 1 83 83 MET C C 83 173.474 173.474 175.454 -1.980 18292 1093 1 2 . 1 1 83 83 MET CA C 83 51.968 51.968 54.365 -2.397 18292 1094 1 2 . 1 1 83 83 MET CB C 83 30.275 30.275 33.231 -2.956 18292 1095 1 2 . 1 1 83 83 MET H H 83 7.953 7.953 8.434 -0.481 18292 1096 1 2 . 1 1 84 84 ILE N N 84 128.512 128.512 127.521 0.991 18292 1097 1 2 . 1 1 84 84 ILE HA H 84 4.230 4.230 4.106 0.124 18292 1098 1 2 . 1 1 84 84 ILE C C 84 173.459 173.459 175.017 -1.558 18292 1099 1 2 . 1 1 84 84 ILE CA C 84 58.832 58.832 60.074 -1.242 18292 1100 1 2 . 1 1 84 84 ILE CB C 84 36.088 36.088 37.454 -1.366 18292 1101 1 2 . 1 1 84 84 ILE H H 84 8.683 8.683 8.792 -0.109 18292 1102 1 2 . 1 1 85 85 THR N N 85 115.456 115.456 120.664 -5.208 18292 1103 1 2 . 1 1 85 85 THR HA H 85 4.825 4.825 4.986 -0.161 18292 1104 1 2 . 1 1 85 85 THR CA C 85 56.520 56.520 59.192 -2.672 18292 1105 1 2 . 1 1 85 85 THR CB C 85 68.803 68.803 70.756 -1.953 18292 1106 1 2 . 1 1 85 85 THR H H 85 7.318 7.318 8.315 -0.997 18292 1107 1 2 . 1 1 86 86 ALA N N 86 128.004 128.004 125.348 2.656 18292 1108 1 2 . 1 1 86 86 ALA HA H 86 5.542 5.542 5.320 0.222 18292 1109 1 2 . 1 1 86 86 ALA C C 86 173.070 173.070 175.383 -2.313 18292 1110 1 2 . 1 1 86 86 ALA CA C 86 47.491 47.491 49.748 -2.256 18292 1111 1 2 . 1 1 86 86 ALA CB C 86 22.241 22.241 21.749 0.492 18292 1112 1 2 . 1 1 86 86 ALA H H 86 10.712 10.712 8.182 2.530 18292 1113 1 2 . 1 1 87 87 ALA N N 87 122.902 122.902 121.684 1.218 18292 1114 1 2 . 1 1 87 87 ALA HA H 87 4.499 4.499 4.693 -0.194 18292 1115 1 2 . 1 1 87 87 ALA C C 87 173.781 173.781 175.107 -1.326 18292 1116 1 2 . 1 1 87 87 ALA CA C 87 47.989 47.989 52.156 -4.167 18292 1117 1 2 . 1 1 87 87 ALA CB C 87 19.981 19.981 21.501 -1.520 18292 1118 1 2 . 1 1 87 87 ALA H H 87 8.413 8.413 8.371 0.042 18292 1119 1 2 . 1 1 88 88 TYR N N 88 120.267 120.267 120.434 -0.167 18292 1120 1 2 . 1 1 88 88 TYR HA H 88 4.723 4.723 5.113 -0.390 18292 1121 1 2 . 1 1 88 88 TYR C C 88 173.615 173.615 176.899 -3.284 18292 1122 1 2 . 1 1 88 88 TYR CA C 88 57.556 57.556 58.058 -0.502 18292 1123 1 2 . 1 1 88 88 TYR CB C 88 36.474 36.474 39.970 -3.496 18292 1124 1 2 . 1 1 88 88 TYR H H 88 8.311 8.311 8.673 -0.362 18292 1125 1 2 . 1 1 89 89 VAL N N 89 123.298 123.298 116.796 6.502 18292 1126 1 2 . 1 1 89 89 VAL HA H 89 4.696 4.696 4.765 -0.069 18292 1127 1 2 . 1 1 89 89 VAL CA C 89 55.899 55.899 58.866 -2.967 18292 1128 1 2 . 1 1 89 89 VAL CB C 89 33.445 33.445 32.923 0.522 18292 1129 1 2 . 1 1 89 89 VAL H H 89 8.420 8.420 8.463 -0.043 18292 1130 1 2 . 1 1 90 90 PRO HA H 90 4.450 4.450 4.647 -0.197 18292 1131 1 2 . 1 1 90 90 PRO CA C 90 60.310 60.310 62.579 -2.269 18292 1132 1 2 . 1 1 90 90 PRO CB C 90 30.489 30.489 31.607 -1.118 18292 1133 1 2 . 1 1 91 91 LEU N N 91 126.649 126.649 127.886 -1.237 18292 1134 1 2 . 1 1 91 91 LEU HA H 91 3.975 3.975 4.162 -0.187 18292 1135 1 2 . 1 1 91 91 LEU CA C 91 56.691 56.691 59.542 -2.851 18292 1136 1 2 . 1 1 91 91 LEU CB C 91 37.139 37.139 39.852 -2.712 18292 1137 1 2 . 1 1 91 91 LEU H H 91 8.997 8.997 8.675 0.322 18292 1138 1 2 . 1 1 92 92 PRO HA H 92 4.211 4.211 4.384 -0.173 18292 1139 1 2 . 1 1 92 92 PRO C C 92 177.175 177.175 178.269 -1.094 18292 1140 1 2 . 1 1 92 92 PRO CA C 92 63.104 63.104 65.243 -2.139 18292 1141 1 2 . 1 1 92 92 PRO CB C 92 27.973 27.973 31.256 -3.283 18292 1142 1 2 . 1 1 93 93 THR N N 93 112.839 112.839 116.220 -3.381 18292 1143 1 2 . 1 1 93 93 THR HA H 93 3.827 3.827 4.179 -0.352 18292 1144 1 2 . 1 1 93 93 THR C C 93 172.669 172.669 176.072 -3.403 18292 1145 1 2 . 1 1 93 93 THR CA C 93 63.096 63.096 66.404 -3.308 18292 1146 1 2 . 1 1 93 93 THR CB C 93 65.968 65.968 68.999 -3.031 18292 1147 1 2 . 1 1 93 93 THR H H 93 6.528 6.528 7.598 -1.070 18292 1148 1 2 . 1 1 94 94 TYR N N 94 125.195 125.195 123.201 1.994 18292 1149 1 2 . 1 1 94 94 TYR HA H 94 3.515 3.515 4.171 -0.656 18292 1150 1 2 . 1 1 94 94 TYR C C 94 174.953 174.953 177.628 -2.675 18292 1151 1 2 . 1 1 94 94 TYR CA C 94 60.012 60.012 62.317 -2.305 18292 1152 1 2 . 1 1 94 94 TYR CB C 94 37.588 37.588 38.689 -1.101 18292 1153 1 2 . 1 1 94 94 TYR H H 94 8.263 8.263 8.589 -0.326 18292 1154 1 2 . 1 1 95 95 HIS N N 95 114.994 114.994 116.318 -1.324 18292 1155 1 2 . 1 1 95 95 HIS HA H 95 4.187 4.187 4.290 -0.103 18292 1156 1 2 . 1 1 95 95 HIS C C 95 173.780 173.780 176.996 -3.216 18292 1157 1 2 . 1 1 95 95 HIS CA C 95 53.471 53.471 58.215 -4.744 18292 1158 1 2 . 1 1 95 95 HIS CB C 95 26.528 26.528 29.753 -3.225 18292 1159 1 2 . 1 1 95 95 HIS H H 95 8.529 8.529 8.086 0.443 18292 1160 1 2 . 1 1 96 96 ASN N N 96 116.599 116.599 116.679 -0.080 18292 1161 1 2 . 1 1 96 96 ASN HA H 96 4.315 4.315 4.559 -0.244 18292 1162 1 2 . 1 1 96 96 ASN C C 96 175.849 175.849 177.082 -1.233 18292 1163 1 2 . 1 1 96 96 ASN CA C 96 52.814 52.814 55.296 -2.482 18292 1164 1 2 . 1 1 96 96 ASN CB C 96 36.453 36.453 38.296 -1.843 18292 1165 1 2 . 1 1 96 96 ASN H H 96 7.343 7.343 7.834 -0.491 18292 1166 1 2 . 1 1 97 97 LEU N N 97 119.316 119.316 117.500 1.816 18292 1167 1 2 . 1 1 97 97 LEU HA H 97 3.406 3.406 3.966 -0.559 18292 1168 1 2 . 1 1 97 97 LEU CA C 97 54.399 54.399 56.924 -2.525 18292 1169 1 2 . 1 1 97 97 LEU CB C 97 39.614 39.614 42.454 -2.840 18292 1170 1 2 . 1 1 97 97 LEU H H 97 7.299 7.299 7.448 -0.149 18292 1171 1 2 . 1 1 98 98 PHE N N 98 113.688 113.688 115.632 -1.944 18292 1172 1 2 . 1 1 98 98 PHE HA H 98 4.696 4.696 4.738 -0.042 18292 1173 1 2 . 1 1 98 98 PHE CA C 98 54.399 54.399 55.274 -0.875 18292 1174 1 2 . 1 1 98 98 PHE CB C 98 35.380 35.380 39.017 -3.637 18292 1175 1 2 . 1 1 98 98 PHE H H 98 7.795 7.795 7.922 -0.127 18292 1176 1 2 . 1 1 99 99 PRO HA H 99 4.430 4.430 4.330 0.100 18292 1177 1 2 . 1 1 99 99 PRO C C 99 176.469 176.469 176.822 -0.353 18292 1178 1 2 . 1 1 99 99 PRO CA C 99 63.174 63.174 64.148 -0.974 18292 1179 1 2 . 1 1 99 99 PRO CB C 99 28.822 28.822 31.781 -2.959 18292 1180 1 2 . 1 1 100 100 ASP N N 100 115.482 115.482 116.554 -1.072 18292 1181 1 2 . 1 1 100 100 ASP HA H 100 4.306 4.306 4.706 -0.400 18292 1182 1 2 . 1 1 100 100 ASP C C 100 174.886 174.886 176.211 -1.325 18292 1183 1 2 . 1 1 100 100 ASP CA C 100 53.064 53.064 53.801 -0.737 18292 1184 1 2 . 1 1 100 100 ASP CB C 100 36.736 36.736 41.477 -4.741 18292 1185 1 2 . 1 1 100 100 ASP H H 100 8.897 8.897 8.417 0.480 18292 1186 1 2 . 1 1 101 101 SER N N 101 114.743 114.743 114.504 0.239 18292 1187 1 2 . 1 1 101 101 SER HA H 101 3.876 3.876 4.771 -0.895 18292 1188 1 2 . 1 1 101 101 SER C C 101 173.539 173.539 175.722 -2.183 18292 1189 1 2 . 1 1 101 101 SER CA C 101 58.183 58.183 58.385 -0.202 18292 1190 1 2 . 1 1 101 101 SER CB C 101 61.403 61.403 64.654 -3.251 18292 1191 1 2 . 1 1 101 101 SER H H 101 8.057 8.057 7.729 0.328 18292 1192 1 2 . 1 1 102 102 MET N N 102 122.103 122.103 118.215 3.888 18292 1193 1 2 . 1 1 102 102 MET HA H 102 3.340 3.340 4.092 -0.752 18292 1194 1 2 . 1 1 102 102 MET C C 102 174.488 174.488 176.091 -1.603 18292 1195 1 2 . 1 1 102 102 MET CA C 102 56.606 56.606 58.986 -2.380 18292 1196 1 2 . 1 1 102 102 MET CB C 102 31.312 31.312 32.458 -1.146 18292 1197 1 2 . 1 1 102 102 MET H H 102 7.319 7.319 7.401 -0.082 18292 1198 1 2 . 1 1 103 103 THR N N 103 104.780 104.780 112.329 -7.549 18292 1199 1 2 . 1 1 103 103 THR HA H 103 4.318 4.318 4.379 -0.061 18292 1200 1 2 . 1 1 103 103 THR C C 103 171.121 171.121 173.126 -2.005 18292 1201 1 2 . 1 1 103 103 THR CA C 103 57.203 57.203 61.458 -4.255 18292 1202 1 2 . 1 1 103 103 THR CB C 103 65.753 65.753 68.327 -2.574 18292 1203 1 2 . 1 1 103 103 THR H H 103 7.216 7.216 7.706 -0.490 18292 1204 1 2 . 1 1 104 104 ALA N N 104 125.795 125.795 124.930 0.865 18292 1205 1 2 . 1 1 104 104 ALA HA H 104 4.347 4.347 4.204 0.143 18292 1206 1 2 . 1 1 104 104 ALA C C 104 174.370 174.370 177.656 -3.286 18292 1207 1 2 . 1 1 104 104 ALA CA C 104 50.244 50.244 53.105 -2.861 18292 1208 1 2 . 1 1 104 104 ALA CB C 104 16.077 16.077 19.025 -2.948 18292 1209 1 2 . 1 1 104 104 ALA H H 104 6.605 6.605 7.901 -1.296 18292 1210 1 2 . 1 1 105 105 THR N N 105 111.482 111.482 112.232 -0.750 18292 1211 1 2 . 1 1 105 105 THR HA H 105 4.390 4.390 4.193 0.197 18292 1212 1 2 . 1 1 105 105 THR C C 105 171.563 171.563 174.305 -2.742 18292 1213 1 2 . 1 1 105 105 THR CA C 105 58.977 58.977 63.005 -4.028 18292 1214 1 2 . 1 1 105 105 THR CB C 105 68.537 68.537 69.056 -0.519 18292 1215 1 2 . 1 1 105 105 THR H H 105 8.698 8.698 8.344 0.354 18292 1216 1 2 . 1 1 106 106 GLN N N 106 123.003 123.003 120.290 2.713 18292 1217 1 2 . 1 1 106 106 GLN HA H 106 4.294 4.294 4.480 -0.186 18292 1218 1 2 . 1 1 106 106 GLN C C 106 172.973 172.973 174.903 -1.930 18292 1219 1 2 . 1 1 106 106 GLN CA C 106 52.710 52.710 54.308 -1.598 18292 1220 1 2 . 1 1 106 106 GLN CB C 106 27.282 27.282 29.365 -2.083 18292 1221 1 2 . 1 1 106 106 GLN H H 106 7.944 7.944 7.716 0.228 18292 1222 1 2 . 1 1 107 107 LEU N N 107 124.765 124.765 125.445 -0.680 18292 1223 1 2 . 1 1 107 107 LEU HA H 107 4.328 4.328 4.748 -0.420 18292 1224 1 2 . 1 1 107 107 LEU C C 107 174.110 174.110 177.297 -3.187 18292 1225 1 2 . 1 1 107 107 LEU CA C 107 52.798 52.798 55.148 -2.350 18292 1226 1 2 . 1 1 107 107 LEU CB C 107 37.829 37.829 42.308 -4.479 18292 1227 1 2 . 1 1 107 107 LEU H H 107 8.390 8.390 8.668 -0.278 18292 1228 1 2 . 1 1 108 108 LEU N N 108 122.332 122.332 122.223 0.109 18292 1229 1 2 . 1 1 108 108 LEU HA H 108 4.259 4.259 4.636 -0.377 18292 1230 1 2 . 1 1 108 108 LEU C C 108 173.870 173.870 175.324 -1.454 18292 1231 1 2 . 1 1 108 108 LEU CA C 108 52.092 52.092 54.589 -2.497 18292 1232 1 2 . 1 1 108 108 LEU CB C 108 39.253 39.253 42.869 -3.616 18292 1233 1 2 . 1 1 108 108 LEU H H 108 8.480 8.480 8.498 -0.018 18292 1234 1 2 . 1 1 109 109 VAL N N 109 115.421 115.421 114.611 0.810 18292 1235 1 2 . 1 1 109 109 VAL HA H 109 4.444 4.444 4.650 -0.206 18292 1236 1 2 . 1 1 109 109 VAL CA C 109 55.640 55.640 59.234 -3.594 18292 1237 1 2 . 1 1 109 109 VAL CB C 109 31.153 31.153 32.591 -1.438 18292 1238 1 2 . 1 1 109 109 VAL H H 109 8.007 8.007 7.809 0.198 18292 1239 1 2 . 1 1 110 110 PRO HA H 110 4.361 4.361 4.631 -0.270 18292 1240 1 2 . 1 1 110 110 PRO C C 110 173.778 173.778 175.976 -2.198 18292 1241 1 2 . 1 1 110 110 PRO CA C 110 59.737 59.737 62.598 -2.861 18292 1242 1 2 . 1 1 110 110 PRO CB C 110 29.710 29.710 33.067 -3.357 18292 1243 1 2 . 1 1 111 111 SER N N 111 120.434 120.434 116.331 4.103 18292 1244 1 2 . 1 1 111 111 SER HA H 111 4.139 4.139 4.521 -0.382 18292 1245 1 2 . 1 1 111 111 SER C C 111 172.475 172.475 174.536 -2.061 18292 1246 1 2 . 1 1 111 111 SER CA C 111 57.674 57.674 59.313 -1.639 18292 1247 1 2 . 1 1 111 111 SER CB C 111 60.580 60.580 64.891 -4.311 18292 1248 1 2 . 1 1 111 111 SER H H 111 9.945 9.945 9.209 0.736 18292 1249 1 2 . 1 1 112 112 ARG N N 112 121.013 121.013 121.062 -0.049 18292 1250 1 2 . 1 1 112 112 ARG HA H 112 4.253 4.253 4.501 -0.248 18292 1251 1 2 . 1 1 112 112 ARG C C 112 172.216 172.216 173.770 -1.554 18292 1252 1 2 . 1 1 112 112 ARG CA C 112 53.071 53.071 56.252 -3.181 18292 1253 1 2 . 1 1 112 112 ARG CB C 112 27.963 27.963 31.780 -3.817 18292 1254 1 2 . 1 1 112 112 ARG H H 112 7.861 7.861 8.717 -0.856 18292 1255 1 3 . 1 1 2 2 GLN N N 2 125.719 125.719 127.729 -2.010 18292 1256 1 3 . 1 1 2 2 GLN HA H 2 4.571 4.571 4.687 -0.116 18292 1257 1 3 . 1 1 2 2 GLN CA C 2 50.502 50.502 54.191 -3.689 18292 1258 1 3 . 1 1 2 2 GLN CB C 2 26.254 26.254 30.533 -4.279 18292 1259 1 3 . 1 1 2 2 GLN H H 2 8.471 8.471 8.357 0.114 18292 1260 1 3 . 1 1 3 3 PRO HA H 3 4.311 4.311 4.438 -0.127 18292 1261 1 3 . 1 1 3 3 PRO C C 3 173.634 173.634 175.956 -2.322 18292 1262 1 3 . 1 1 3 3 PRO CA C 3 60.349 60.349 63.012 -2.663 18292 1263 1 3 . 1 1 3 3 PRO CB C 3 29.678 29.678 31.302 -1.624 18292 1264 1 3 . 1 1 4 4 LEU N N 4 122.253 122.253 125.420 -3.167 18292 1265 1 3 . 1 1 4 4 LEU HA H 4 4.133 4.133 4.570 -0.437 18292 1266 1 3 . 1 1 4 4 LEU C C 4 172.946 172.946 176.157 -3.211 18292 1267 1 3 . 1 1 4 4 LEU CA C 4 51.900 51.900 54.453 -2.553 18292 1268 1 3 . 1 1 4 4 LEU CB C 4 39.711 39.711 41.550 -1.839 18292 1269 1 3 . 1 1 4 4 LEU H H 4 7.912 7.912 7.729 0.183 18292 1270 1 3 . 1 1 5 5 ALA N N 5 122.619 122.619 125.967 -3.348 18292 1271 1 3 . 1 1 5 5 ALA HA H 5 2.385 2.385 4.413 -2.028 18292 1272 1 3 . 1 1 5 5 ALA C C 5 174.164 174.164 177.123 -2.959 18292 1273 1 3 . 1 1 5 5 ALA CA C 5 49.205 49.205 52.600 -3.395 18292 1274 1 3 . 1 1 5 5 ALA CB C 5 17.058 17.058 18.221 -1.163 18292 1275 1 3 . 1 1 5 5 ALA H H 5 7.415 7.415 8.145 -0.730 18292 1276 1 3 . 1 1 6 6 THR N N 6 112.768 112.768 115.465 -2.697 18292 1277 1 3 . 1 1 6 6 THR HA H 6 4.393 4.393 4.564 -0.171 18292 1278 1 3 . 1 1 6 6 THR C C 6 168.908 168.908 175.173 -6.265 18292 1279 1 3 . 1 1 6 6 THR CA C 6 56.371 56.371 60.135 -3.764 18292 1280 1 3 . 1 1 6 6 THR CB C 6 68.874 68.874 71.304 -2.430 18292 1281 1 3 . 1 1 6 6 THR H H 6 6.601 6.601 7.876 -1.275 18292 1282 1 3 . 1 1 7 7 GLN N N 7 111.707 111.707 117.013 -5.306 18292 1283 1 3 . 1 1 7 7 GLN HA H 7 4.344 4.344 4.389 -0.045 18292 1284 1 3 . 1 1 7 7 GLN C C 7 171.068 171.068 174.733 -3.665 18292 1285 1 3 . 1 1 7 7 GLN CA C 7 53.795 53.795 56.350 -2.555 18292 1286 1 3 . 1 1 7 7 GLN CB C 7 28.252 28.252 28.158 0.094 18292 1287 1 3 . 1 1 7 7 GLN H H 7 8.547 8.547 8.671 -0.124 18292 1288 1 3 . 1 1 8 8 CYS N N 8 118.669 118.669 119.309 -0.640 18292 1289 1 3 . 1 1 8 8 CYS HA H 8 5.389 5.389 5.366 0.023 18292 1290 1 3 . 1 1 8 8 CYS C C 8 171.026 171.026 172.815 -1.789 18292 1291 1 3 . 1 1 8 8 CYS CA C 8 53.652 53.652 57.455 -3.803 18292 1292 1 3 . 1 1 8 8 CYS CB C 8 29.416 29.416 30.287 -0.871 18292 1293 1 3 . 1 1 8 8 CYS H H 8 8.558 8.558 7.641 0.917 18292 1294 1 3 . 1 1 9 9 PHE N N 9 117.117 117.117 122.926 -5.809 18292 1295 1 3 . 1 1 9 9 PHE HA H 9 5.369 5.369 5.599 -0.230 18292 1296 1 3 . 1 1 9 9 PHE C C 9 168.313 168.313 172.919 -4.606 18292 1297 1 3 . 1 1 9 9 PHE CA C 9 53.341 53.341 55.477 -2.136 18292 1298 1 3 . 1 1 9 9 PHE CB C 9 39.008 39.008 41.526 -2.518 18292 1299 1 3 . 1 1 9 9 PHE H H 9 9.533 9.533 9.321 0.212 18292 1300 1 3 . 1 1 10 10 GLN N N 10 118.344 118.344 115.630 2.714 18292 1301 1 3 . 1 1 10 10 GLN HA H 10 5.063 5.063 4.930 0.133 18292 1302 1 3 . 1 1 10 10 GLN C C 10 173.280 173.280 173.978 -0.698 18292 1303 1 3 . 1 1 10 10 GLN CA C 10 50.242 50.242 54.056 -3.814 18292 1304 1 3 . 1 1 10 10 GLN CB C 10 30.263 30.263 32.863 -2.600 18292 1305 1 3 . 1 1 10 10 GLN H H 10 9.299 9.299 8.893 0.406 18292 1306 1 3 . 1 1 11 11 LEU N N 11 128.664 128.664 118.683 9.981 18292 1307 1 3 . 1 1 11 11 LEU HA H 11 5.474 5.474 4.929 0.545 18292 1308 1 3 . 1 1 11 11 LEU C C 11 173.987 173.987 177.228 -3.241 18292 1309 1 3 . 1 1 11 11 LEU CA C 11 50.153 50.153 53.291 -3.138 18292 1310 1 3 . 1 1 11 11 LEU CB C 11 41.779 41.779 44.957 -3.178 18292 1311 1 3 . 1 1 11 11 LEU H H 11 9.679 9.679 8.507 1.172 18292 1312 1 3 . 1 1 12 12 SER N N 12 115.661 115.661 112.805 2.856 18292 1313 1 3 . 1 1 12 12 SER HA H 12 4.877 4.877 4.704 0.173 18292 1314 1 3 . 1 1 12 12 SER C C 12 170.086 170.086 173.125 -3.039 18292 1315 1 3 . 1 1 12 12 SER CA C 12 54.698 54.698 58.273 -3.575 18292 1316 1 3 . 1 1 12 12 SER CB C 12 63.054 63.054 63.530 -0.476 18292 1317 1 3 . 1 1 12 12 SER H H 12 8.717 8.717 8.451 0.266 18292 1318 1 3 . 1 1 13 13 ASN N N 13 114.812 114.812 117.652 -2.840 18292 1319 1 3 . 1 1 13 13 ASN HA H 13 4.165 4.165 4.642 -0.477 18292 1320 1 3 . 1 1 13 13 ASN C C 13 171.867 171.867 174.797 -2.930 18292 1321 1 3 . 1 1 13 13 ASN CA C 13 51.269 51.269 53.235 -1.966 18292 1322 1 3 . 1 1 13 13 ASN CB C 13 34.988 34.988 40.461 -5.473 18292 1323 1 3 . 1 1 13 13 ASN H H 13 8.563 8.563 8.136 0.427 18292 1324 1 3 . 1 1 14 14 MET N N 14 113.100 113.100 117.694 -4.594 18292 1325 1 3 . 1 1 14 14 MET HA H 14 4.258 4.258 3.933 0.325 18292 1326 1 3 . 1 1 14 14 MET C C 14 171.935 171.935 175.091 -3.156 18292 1327 1 3 . 1 1 14 14 MET CA C 14 53.020 53.020 55.964 -2.944 18292 1328 1 3 . 1 1 14 14 MET CB C 14 29.746 29.746 32.975 -3.229 18292 1329 1 3 . 1 1 14 14 MET H H 14 8.261 8.261 7.232 1.029 18292 1330 1 3 . 1 1 15 15 PHE N N 15 108.769 108.769 110.868 -2.099 18292 1331 1 3 . 1 1 15 15 PHE HA H 15 4.485 4.485 4.816 -0.331 18292 1332 1 3 . 1 1 15 15 PHE C C 15 170.024 170.024 172.825 -2.801 18292 1333 1 3 . 1 1 15 15 PHE CA C 15 53.080 53.080 54.876 -1.796 18292 1334 1 3 . 1 1 15 15 PHE CB C 15 36.300 36.300 40.225 -3.925 18292 1335 1 3 . 1 1 15 15 PHE H H 15 6.804 6.804 7.097 -0.293 18292 1336 1 3 . 1 1 16 16 ASN N N 16 117.922 117.922 116.423 1.499 18292 1337 1 3 . 1 1 16 16 ASN HA H 16 4.932 4.932 5.106 -0.174 18292 1338 1 3 . 1 1 16 16 ASN CA C 16 47.510 47.510 50.491 -2.981 18292 1339 1 3 . 1 1 16 16 ASN CB C 16 36.512 36.512 38.934 -2.422 18292 1340 1 3 . 1 1 16 16 ASN H H 16 8.681 8.681 8.476 0.205 18292 1341 1 3 . 1 1 17 17 PRO HA H 17 4.102 4.102 4.490 -0.388 18292 1342 1 3 . 1 1 17 17 PRO C C 17 174.773 174.773 176.598 -1.825 18292 1343 1 3 . 1 1 17 17 PRO CA C 17 61.933 61.933 64.382 -2.449 18292 1344 1 3 . 1 1 17 17 PRO CB C 17 29.557 29.557 31.962 -2.405 18292 1345 1 3 . 1 1 18 18 GLN N N 18 116.462 116.462 115.333 1.129 18292 1346 1 3 . 1 1 18 18 GLN HA H 18 4.146 4.146 4.549 -0.403 18292 1347 1 3 . 1 1 18 18 GLN C C 18 174.423 174.423 176.058 -1.635 18292 1348 1 3 . 1 1 18 18 GLN CA C 18 54.067 54.067 55.165 -1.098 18292 1349 1 3 . 1 1 18 18 GLN CB C 18 26.326 26.326 29.256 -2.930 18292 1350 1 3 . 1 1 18 18 GLN H H 18 7.934 7.934 7.827 0.107 18292 1351 1 3 . 1 1 19 19 THR N N 19 112.362 112.362 115.193 -2.831 18292 1352 1 3 . 1 1 19 19 THR HA H 19 4.176 4.176 4.050 0.126 18292 1353 1 3 . 1 1 19 19 THR C C 19 171.908 171.908 174.689 -2.781 18292 1354 1 3 . 1 1 19 19 THR CA C 19 59.509 59.509 61.745 -2.236 18292 1355 1 3 . 1 1 19 19 THR CB C 19 66.360 66.360 68.588 -2.228 18292 1356 1 3 . 1 1 19 19 THR H H 19 7.723 7.723 7.475 0.248 18292 1357 1 3 . 1 1 20 20 GLU N N 20 120.326 120.326 119.389 0.937 18292 1358 1 3 . 1 1 20 20 GLU HA H 20 3.658 3.658 3.573 0.085 18292 1359 1 3 . 1 1 20 20 GLU C C 20 173.311 173.311 176.268 -2.957 18292 1360 1 3 . 1 1 20 20 GLU CA C 20 53.164 53.164 57.456 -4.292 18292 1361 1 3 . 1 1 20 20 GLU CB C 20 25.837 25.837 28.719 -2.882 18292 1362 1 3 . 1 1 20 20 GLU H H 20 7.312 7.312 8.407 -1.095 18292 1363 1 3 . 1 1 21 21 GLU N N 21 120.796 120.796 118.530 2.266 18292 1364 1 3 . 1 1 21 21 GLU HA H 21 4.162 4.162 4.372 -0.210 18292 1365 1 3 . 1 1 21 21 GLU C C 21 173.747 173.747 176.048 -2.301 18292 1366 1 3 . 1 1 21 21 GLU CA C 21 53.873 53.873 55.834 -1.961 18292 1367 1 3 . 1 1 21 21 GLU CB C 21 28.445 28.445 29.511 -1.066 18292 1368 1 3 . 1 1 21 21 GLU H H 21 8.011 8.011 8.079 -0.068 18292 1369 1 3 . 1 1 22 22 GLU N N 22 121.370 121.370 119.432 1.938 18292 1370 1 3 . 1 1 22 22 GLU HA H 22 4.393 4.393 4.483 -0.090 18292 1371 1 3 . 1 1 22 22 GLU C C 22 173.536 173.536 174.828 -1.292 18292 1372 1 3 . 1 1 22 22 GLU CA C 22 52.982 52.982 55.711 -2.729 18292 1373 1 3 . 1 1 22 22 GLU CB C 22 28.012 28.012 31.972 -3.960 18292 1374 1 3 . 1 1 22 22 GLU H H 22 8.039 8.039 7.545 0.493 18292 1375 1 3 . 1 1 23 23 VAL N N 23 123.340 123.340 119.784 3.556 18292 1376 1 3 . 1 1 23 23 VAL HA H 23 3.901 3.901 4.423 -0.522 18292 1377 1 3 . 1 1 23 23 VAL C C 23 175.077 175.077 176.986 -1.909 18292 1378 1 3 . 1 1 23 23 VAL CA C 23 61.540 61.540 61.954 -0.414 18292 1379 1 3 . 1 1 23 23 VAL CB C 23 29.361 29.361 33.257 -3.896 18292 1380 1 3 . 1 1 23 23 VAL H H 23 8.447 8.447 8.164 0.283 18292 1381 1 3 . 1 1 24 24 GLY N N 24 114.476 114.476 114.437 0.039 18292 1382 1 3 . 1 1 24 24 GLY C C 24 173.717 173.717 175.905 -2.188 18292 1383 1 3 . 1 1 24 24 GLY CA C 24 42.667 42.667 45.992 -3.325 18292 1384 1 3 . 1 1 24 24 GLY H H 24 9.087 9.087 8.686 0.401 18292 1385 1 3 . 1 1 25 25 TRP N N 25 121.382 121.382 119.274 2.108 18292 1386 1 3 . 1 1 25 25 TRP HA H 25 4.214 4.214 4.343 -0.129 18292 1387 1 3 . 1 1 25 25 TRP C C 25 174.056 174.056 175.999 -1.943 18292 1388 1 3 . 1 1 25 25 TRP CA C 25 56.093 56.093 57.139 -1.046 18292 1389 1 3 . 1 1 25 25 TRP CB C 25 25.016 25.016 28.583 -3.567 18292 1390 1 3 . 1 1 26 26 ASP N N 26 118.789 118.789 120.691 -1.902 18292 1391 1 3 . 1 1 26 26 ASP HA H 26 3.261 3.261 4.054 -0.793 18292 1392 1 3 . 1 1 26 26 ASP C C 26 174.709 174.709 177.714 -3.005 18292 1393 1 3 . 1 1 26 26 ASP CA C 26 52.705 52.705 56.801 -4.096 18292 1394 1 3 . 1 1 26 26 ASP CB C 26 34.503 34.503 39.877 -5.373 18292 1395 1 3 . 1 1 26 26 ASP H H 26 7.939 7.939 7.822 0.117 18292 1396 1 3 . 1 1 27 27 THR N N 27 118.934 118.934 115.406 3.528 18292 1397 1 3 . 1 1 27 27 THR HA H 27 3.552 3.552 3.980 -0.428 18292 1398 1 3 . 1 1 27 27 THR C C 27 172.390 172.390 176.482 -4.092 18292 1399 1 3 . 1 1 27 27 THR CA C 27 63.307 63.307 66.796 -3.489 18292 1400 1 3 . 1 1 27 27 THR CB C 27 65.331 65.331 68.551 -3.220 18292 1401 1 3 . 1 1 27 27 THR H H 27 7.103 7.103 7.990 -0.887 18292 1402 1 3 . 1 1 28 28 GLU N N 28 120.484 120.484 120.317 0.167 18292 1403 1 3 . 1 1 28 28 GLU HA H 28 3.978 3.978 4.326 -0.348 18292 1404 1 3 . 1 1 28 28 GLU C C 28 175.447 175.447 179.119 -3.672 18292 1405 1 3 . 1 1 28 28 GLU CA C 28 56.760 56.760 59.194 -2.434 18292 1406 1 3 . 1 1 28 28 GLU CB C 28 26.418 26.418 29.403 -2.985 18292 1407 1 3 . 1 1 28 28 GLU H H 28 7.473 7.473 8.418 -0.945 18292 1408 1 3 . 1 1 29 29 ILE N N 29 116.961 116.961 121.116 -4.155 18292 1409 1 3 . 1 1 29 29 ILE HA H 29 3.773 3.773 3.842 -0.069 18292 1410 1 3 . 1 1 29 29 ILE C C 29 174.605 174.605 177.967 -3.362 18292 1411 1 3 . 1 1 29 29 ILE CA C 29 61.243 61.243 65.075 -3.832 18292 1412 1 3 . 1 1 29 29 ILE CB C 29 35.267 35.267 37.766 -2.499 18292 1413 1 3 . 1 1 29 29 ILE H H 29 7.113 7.113 7.489 -0.376 18292 1414 1 3 . 1 1 30 30 LYS N N 30 118.457 118.457 120.531 -2.074 18292 1415 1 3 . 1 1 30 30 LYS HA H 30 3.430 3.430 3.822 -0.392 18292 1416 1 3 . 1 1 30 30 LYS C C 30 174.886 174.886 178.141 -3.255 18292 1417 1 3 . 1 1 30 30 LYS CA C 30 57.872 57.872 60.117 -2.245 18292 1418 1 3 . 1 1 30 30 LYS CB C 30 29.680 29.680 32.117 -2.437 18292 1419 1 3 . 1 1 30 30 LYS H H 30 7.480 7.480 8.223 -0.743 18292 1420 1 3 . 1 1 31 31 ASP N N 31 118.630 118.630 119.135 -0.505 18292 1421 1 3 . 1 1 31 31 ASP HA H 31 4.233 4.233 4.325 -0.092 18292 1422 1 3 . 1 1 31 31 ASP C C 31 175.558 175.558 177.928 -2.370 18292 1423 1 3 . 1 1 31 31 ASP CA C 31 55.137 55.137 58.014 -2.877 18292 1424 1 3 . 1 1 31 31 ASP CB C 31 36.829 36.829 40.823 -3.994 18292 1425 1 3 . 1 1 31 31 ASP H H 31 8.334 8.334 7.905 0.429 18292 1426 1 3 . 1 1 32 32 ASP N N 32 120.576 120.576 119.330 1.246 18292 1427 1 3 . 1 1 32 32 ASP HA H 32 4.277 4.277 4.454 -0.177 18292 1428 1 3 . 1 1 32 32 ASP C C 32 176.966 176.966 178.843 -1.877 18292 1429 1 3 . 1 1 32 32 ASP CA C 32 54.829 54.829 57.784 -2.955 18292 1430 1 3 . 1 1 32 32 ASP CB C 32 37.331 37.331 41.048 -3.717 18292 1431 1 3 . 1 1 32 32 ASP H H 32 8.189 8.189 7.911 0.278 18292 1432 1 3 . 1 1 33 33 VAL N N 33 121.083 121.083 118.690 2.393 18292 1433 1 3 . 1 1 33 33 VAL HA H 33 3.444 3.444 3.886 -0.442 18292 1434 1 3 . 1 1 33 33 VAL C C 33 175.529 175.529 177.767 -2.238 18292 1435 1 3 . 1 1 33 33 VAL CA C 33 64.511 64.511 65.198 -0.687 18292 1436 1 3 . 1 1 33 33 VAL CB C 33 28.920 28.920 31.893 -2.973 18292 1437 1 3 . 1 1 33 33 VAL H H 33 8.069 8.069 7.455 0.614 18292 1438 1 3 . 1 1 34 34 ILE N N 34 122.145 122.145 122.152 -0.007 18292 1439 1 3 . 1 1 34 34 ILE HA H 34 3.272 3.272 3.493 -0.221 18292 1440 1 3 . 1 1 34 34 ILE C C 34 174.723 174.723 177.932 -3.209 18292 1441 1 3 . 1 1 34 34 ILE CA C 34 63.723 63.723 66.209 -2.486 18292 1442 1 3 . 1 1 34 34 ILE CB C 34 35.949 35.949 37.487 -1.538 18292 1443 1 3 . 1 1 34 34 ILE H H 34 8.887 8.887 8.185 0.702 18292 1444 1 3 . 1 1 35 35 GLU N N 35 117.927 117.927 118.961 -1.034 18292 1445 1 3 . 1 1 35 35 GLU HA H 35 3.830 3.830 3.928 -0.098 18292 1446 1 3 . 1 1 35 35 GLU C C 35 176.747 176.747 179.079 -2.332 18292 1447 1 3 . 1 1 35 35 GLU CA C 35 57.183 57.183 59.991 -2.808 18292 1448 1 3 . 1 1 35 35 GLU CB C 35 26.969 26.969 29.099 -2.130 18292 1449 1 3 . 1 1 35 35 GLU H H 35 8.565 8.565 8.259 0.306 18292 1450 1 3 . 1 1 36 36 GLU N N 36 117.299 117.299 119.896 -2.597 18292 1451 1 3 . 1 1 36 36 GLU HA H 36 4.012 4.012 3.943 0.069 18292 1452 1 3 . 1 1 36 36 GLU C C 36 176.604 176.604 178.992 -2.388 18292 1453 1 3 . 1 1 36 36 GLU CA C 36 56.357 56.357 59.609 -3.252 18292 1454 1 3 . 1 1 36 36 GLU CB C 36 26.612 26.612 29.513 -2.901 18292 1455 1 3 . 1 1 36 36 GLU H H 36 7.523 7.523 7.720 -0.197 18292 1456 1 3 . 1 1 37 37 CYS N N 37 116.308 116.308 117.091 -0.783 18292 1457 1 3 . 1 1 37 37 CYS HA H 37 4.141 4.141 4.264 -0.123 18292 1458 1 3 . 1 1 37 37 CYS C C 37 175.888 175.888 177.035 -1.147 18292 1459 1 3 . 1 1 37 37 CYS CA C 37 61.915 61.915 64.500 -2.585 18292 1460 1 3 . 1 1 37 37 CYS CB C 37 24.513 24.513 27.192 -2.679 18292 1461 1 3 . 1 1 37 37 CYS H H 37 8.754 8.754 8.476 0.278 18292 1462 1 3 . 1 1 38 38 ASN N N 38 121.598 121.598 119.281 2.317 18292 1463 1 3 . 1 1 38 38 ASN HA H 38 4.452 4.452 4.421 0.031 18292 1464 1 3 . 1 1 38 38 ASN C C 38 174.340 174.340 176.738 -2.398 18292 1465 1 3 . 1 1 38 38 ASN CA C 38 52.249 52.249 55.838 -3.589 18292 1466 1 3 . 1 1 38 38 ASN CB C 38 34.488 34.488 38.042 -3.554 18292 1467 1 3 . 1 1 38 38 ASN H H 38 8.800 8.800 8.350 0.450 18292 1468 1 3 . 1 1 39 39 LYS N N 39 119.297 119.297 118.326 0.971 18292 1469 1 3 . 1 1 39 39 LYS HA H 39 4.002 4.002 3.968 0.034 18292 1470 1 3 . 1 1 39 39 LYS C C 39 174.388 174.388 178.643 -4.255 18292 1471 1 3 . 1 1 39 39 LYS CA C 39 55.239 55.239 58.736 -3.497 18292 1472 1 3 . 1 1 39 39 LYS CB C 39 29.477 29.477 32.385 -2.908 18292 1473 1 3 . 1 1 39 39 LYS H H 39 7.427 7.427 7.996 -0.569 18292 1474 1 3 . 1 1 40 40 HIS N N 40 114.421 114.421 114.570 -0.149 18292 1475 1 3 . 1 1 40 40 HIS HA H 40 4.896 4.896 4.490 0.406 18292 1476 1 3 . 1 1 40 40 HIS C C 40 171.895 171.895 176.659 -4.764 18292 1477 1 3 . 1 1 40 40 HIS CA C 40 51.758 51.758 57.706 -5.948 18292 1478 1 3 . 1 1 40 40 HIS CB C 40 28.775 28.775 30.854 -2.079 18292 1479 1 3 . 1 1 40 40 HIS H H 40 7.453 7.453 7.588 -0.135 18292 1480 1 3 . 1 1 41 41 GLY N N 41 106.587 106.587 103.307 3.280 18292 1481 1 3 . 1 1 41 41 GLY C C 41 171.376 171.376 173.198 -1.822 18292 1482 1 3 . 1 1 41 41 GLY CA C 41 42.388 42.388 45.410 -3.022 18292 1483 1 3 . 1 1 41 41 GLY H H 41 7.599 7.599 8.600 -1.001 18292 1484 1 3 . 1 1 42 42 GLY N N 42 107.066 107.066 107.866 -0.800 18292 1485 1 3 . 1 1 42 42 GLY C C 42 169.120 169.120 171.523 -2.403 18292 1486 1 3 . 1 1 42 42 GLY CA C 42 41.518 41.518 44.851 -3.333 18292 1487 1 3 . 1 1 42 42 GLY H H 42 7.942 7.942 8.062 -0.120 18292 1488 1 3 . 1 1 43 43 VAL N N 43 114.640 114.640 120.313 -5.673 18292 1489 1 3 . 1 1 43 43 VAL HA H 43 4.527 4.527 4.916 -0.389 18292 1490 1 3 . 1 1 43 43 VAL C C 43 169.861 169.861 174.350 -4.489 18292 1491 1 3 . 1 1 43 43 VAL CA C 43 58.404 58.404 59.176 -0.772 18292 1492 1 3 . 1 1 43 43 VAL CB C 43 31.692 31.692 34.651 -2.959 18292 1493 1 3 . 1 1 43 43 VAL H H 43 8.679 8.679 8.600 0.079 18292 1494 1 3 . 1 1 44 44 ILE N N 44 115.792 115.792 122.006 -6.214 18292 1495 1 3 . 1 1 44 44 ILE HA H 44 4.918 4.918 4.987 -0.069 18292 1496 1 3 . 1 1 44 44 ILE C C 44 172.246 172.246 174.222 -1.976 18292 1497 1 3 . 1 1 44 44 ILE CA C 44 57.770 57.770 60.446 -2.675 18292 1498 1 3 . 1 1 44 44 ILE CB C 44 37.197 37.197 39.422 -2.225 18292 1499 1 3 . 1 1 44 44 ILE H H 44 8.587 8.587 8.774 -0.187 18292 1500 1 3 . 1 1 45 45 HIS N N 45 122.684 122.684 117.984 4.700 18292 1501 1 3 . 1 1 45 45 HIS HA H 45 4.426 4.426 4.731 -0.305 18292 1502 1 3 . 1 1 45 45 HIS C C 45 168.452 168.452 172.452 -4.000 18292 1503 1 3 . 1 1 45 45 HIS CA C 45 55.548 55.548 55.633 -0.085 18292 1504 1 3 . 1 1 45 45 HIS CB C 45 31.632 31.632 33.707 -2.075 18292 1505 1 3 . 1 1 45 45 HIS H H 45 7.791 7.791 7.548 0.243 18292 1506 1 3 . 1 1 46 46 ILE N N 46 123.917 123.917 123.931 -0.014 18292 1507 1 3 . 1 1 46 46 ILE HA H 46 5.120 5.120 4.417 0.703 18292 1508 1 3 . 1 1 46 46 ILE C C 46 170.171 170.171 172.916 -2.745 18292 1509 1 3 . 1 1 46 46 ILE CA C 46 56.063 56.063 59.244 -3.181 18292 1510 1 3 . 1 1 46 46 ILE CB C 46 39.753 39.753 40.855 -1.102 18292 1511 1 3 . 1 1 46 46 ILE H H 46 7.391 7.391 7.619 -0.228 18292 1512 1 3 . 1 1 47 47 TYR N N 47 125.750 125.750 127.393 -1.643 18292 1513 1 3 . 1 1 47 47 TYR HA H 47 4.370 4.370 4.729 -0.359 18292 1514 1 3 . 1 1 47 47 TYR C C 47 171.029 171.029 173.248 -2.219 18292 1515 1 3 . 1 1 47 47 TYR CA C 47 54.800 54.800 56.350 -1.550 18292 1516 1 3 . 1 1 47 47 TYR CB C 47 39.851 39.851 41.918 -2.067 18292 1517 1 3 . 1 1 47 47 TYR H H 47 9.055 9.055 8.656 0.399 18292 1518 1 3 . 1 1 48 48 VAL N N 48 129.720 129.720 128.987 0.733 18292 1519 1 3 . 1 1 48 48 VAL HA H 48 3.869 3.869 3.940 -0.071 18292 1520 1 3 . 1 1 48 48 VAL C C 48 170.949 170.949 174.537 -3.588 18292 1521 1 3 . 1 1 48 48 VAL CA C 48 59.328 59.328 61.099 -1.771 18292 1522 1 3 . 1 1 48 48 VAL CB C 48 29.022 29.022 31.744 -2.722 18292 1523 1 3 . 1 1 48 48 VAL H H 48 8.290 8.290 8.298 -0.008 18292 1524 1 3 . 1 1 49 49 ASP N N 49 125.287 125.287 127.013 -1.726 18292 1525 1 3 . 1 1 49 49 ASP HA H 49 4.703 4.703 4.310 0.393 18292 1526 1 3 . 1 1 49 49 ASP C C 49 173.851 173.851 176.349 -2.498 18292 1527 1 3 . 1 1 49 49 ASP CA C 49 50.349 50.349 54.512 -4.163 18292 1528 1 3 . 1 1 49 49 ASP CB C 49 38.139 38.139 42.303 -4.164 18292 1529 1 3 . 1 1 49 49 ASP H H 49 8.274 8.274 7.966 0.308 18292 1530 1 3 . 1 1 50 50 LYS N N 50 125.099 125.099 122.431 2.668 18292 1531 1 3 . 1 1 50 50 LYS HA H 50 4.096 4.096 4.225 -0.129 18292 1532 1 3 . 1 1 50 50 LYS C C 50 173.120 173.120 177.406 -4.286 18292 1533 1 3 . 1 1 50 50 LYS CA C 50 56.284 56.284 58.189 -1.905 18292 1534 1 3 . 1 1 50 50 LYS CB C 50 29.763 29.763 32.731 -2.968 18292 1535 1 3 . 1 1 50 50 LYS H H 50 8.090 8.090 8.509 -0.419 18292 1536 1 3 . 1 1 51 51 ASN N N 51 114.422 114.422 116.403 -1.981 18292 1537 1 3 . 1 1 51 51 ASN HA H 51 4.931 4.931 4.739 0.192 18292 1538 1 3 . 1 1 51 51 ASN C C 51 172.685 172.685 175.786 -3.101 18292 1539 1 3 . 1 1 51 51 ASN CA C 51 50.744 50.744 54.059 -3.315 18292 1540 1 3 . 1 1 51 51 ASN CB C 51 37.036 37.036 39.402 -2.366 18292 1541 1 3 . 1 1 51 51 ASN H H 51 8.272 8.272 8.303 -0.031 18292 1542 1 3 . 1 1 52 52 SER N N 52 115.013 115.013 116.073 -1.060 18292 1543 1 3 . 1 1 52 52 SER HA H 52 4.410 4.410 4.379 0.031 18292 1544 1 3 . 1 1 52 52 SER C C 52 172.628 172.628 173.918 -1.290 18292 1545 1 3 . 1 1 52 52 SER CA C 52 55.035 55.035 58.961 -3.926 18292 1546 1 3 . 1 1 52 52 SER CB C 52 61.604 61.604 64.805 -3.201 18292 1547 1 3 . 1 1 52 52 SER H H 52 7.920 7.920 7.973 -0.053 18292 1548 1 3 . 1 1 53 53 ALA N N 53 129.163 129.163 127.171 1.992 18292 1549 1 3 . 1 1 53 53 ALA HA H 53 4.088 4.088 4.495 -0.407 18292 1550 1 3 . 1 1 53 53 ALA C C 53 175.951 175.951 178.253 -2.302 18292 1551 1 3 . 1 1 53 53 ALA CA C 53 51.409 51.409 52.572 -1.163 18292 1552 1 3 . 1 1 53 53 ALA CB C 53 15.878 15.878 20.026 -4.148 18292 1553 1 3 . 1 1 53 53 ALA H H 53 8.837 8.837 8.401 0.436 18292 1554 1 3 . 1 1 54 54 GLN N N 54 113.081 113.081 118.844 -5.763 18292 1555 1 3 . 1 1 54 54 GLN HA H 54 4.202 4.202 4.386 -0.184 18292 1556 1 3 . 1 1 54 54 GLN C C 54 173.388 173.388 175.521 -2.133 18292 1557 1 3 . 1 1 54 54 GLN CA C 54 52.993 52.993 54.289 -1.296 18292 1558 1 3 . 1 1 54 54 GLN CB C 54 26.360 26.360 28.864 -2.504 18292 1559 1 3 . 1 1 54 54 GLN H H 54 7.836 7.836 7.783 0.053 18292 1560 1 3 . 1 1 55 55 GLY N N 55 108.967 108.967 107.691 1.276 18292 1561 1 3 . 1 1 55 55 GLY CA C 55 45.087 45.087 45.204 -0.117 18292 1562 1 3 . 1 1 55 55 GLY H H 55 7.191 7.191 8.516 -1.325 18292 1563 1 3 . 1 1 56 56 ASN N N 56 114.505 114.505 118.006 -3.501 18292 1564 1 3 . 1 1 56 56 ASN HA H 56 5.520 5.520 4.860 0.660 18292 1565 1 3 . 1 1 56 56 ASN C C 56 172.166 172.166 174.710 -2.544 18292 1566 1 3 . 1 1 56 56 ASN CA C 56 50.462 50.462 53.727 -3.265 18292 1567 1 3 . 1 1 56 56 ASN CB C 56 38.400 38.400 39.770 -1.370 18292 1568 1 3 . 1 1 56 56 ASN H H 56 7.614 7.614 7.590 0.024 18292 1569 1 3 . 1 1 57 57 VAL N N 57 119.859 119.859 118.265 1.594 18292 1570 1 3 . 1 1 57 57 VAL HA H 57 4.692 4.692 4.297 0.395 18292 1571 1 3 . 1 1 57 57 VAL C C 57 170.667 170.667 174.023 -3.356 18292 1572 1 3 . 1 1 57 57 VAL CA C 57 58.163 58.163 61.322 -3.159 18292 1573 1 3 . 1 1 57 57 VAL CB C 57 33.663 33.663 36.141 -2.478 18292 1574 1 3 . 1 1 57 57 VAL H H 57 8.354 8.354 7.780 0.574 18292 1575 1 3 . 1 1 58 58 TYR N N 58 128.478 128.478 121.881 6.597 18292 1576 1 3 . 1 1 58 58 TYR HA H 58 4.937 4.937 4.752 0.185 18292 1577 1 3 . 1 1 58 58 TYR C C 58 170.605 170.605 174.749 -4.144 18292 1578 1 3 . 1 1 58 58 TYR CA C 58 55.354 55.354 57.032 -1.678 18292 1579 1 3 . 1 1 58 58 TYR CB C 58 37.775 37.775 41.556 -3.781 18292 1580 1 3 . 1 1 58 58 TYR H H 58 9.275 9.275 8.699 0.576 18292 1581 1 3 . 1 1 59 59 VAL N N 59 123.117 123.117 120.716 2.401 18292 1582 1 3 . 1 1 59 59 VAL HA H 59 4.462 4.462 4.568 -0.106 18292 1583 1 3 . 1 1 59 59 VAL C C 59 170.875 170.875 173.739 -2.864 18292 1584 1 3 . 1 1 59 59 VAL CA C 59 58.527 58.527 60.530 -2.003 18292 1585 1 3 . 1 1 59 59 VAL CB C 59 32.611 32.611 35.935 -3.324 18292 1586 1 3 . 1 1 59 59 VAL H H 59 8.860 8.860 8.327 0.533 18292 1587 1 3 . 1 1 60 60 LYS N N 60 123.266 123.266 124.739 -1.473 18292 1588 1 3 . 1 1 60 60 LYS HA H 60 4.745 4.745 5.155 -0.410 18292 1589 1 3 . 1 1 60 60 LYS C C 60 173.399 173.399 174.611 -1.212 18292 1590 1 3 . 1 1 60 60 LYS CA C 60 52.207 52.207 54.431 -2.224 18292 1591 1 3 . 1 1 60 60 LYS CB C 60 34.244 34.244 36.732 -2.488 18292 1592 1 3 . 1 1 60 60 LYS H H 60 8.668 8.668 8.125 0.543 18292 1593 1 3 . 1 1 61 61 CYS N N 61 125.267 125.267 122.659 2.608 18292 1594 1 3 . 1 1 61 61 CYS HA H 61 4.740 4.740 5.012 -0.272 18292 1595 1 3 . 1 1 61 61 CYS CA C 61 56.393 56.393 56.018 0.375 18292 1596 1 3 . 1 1 61 61 CYS CB C 61 27.416 27.416 29.880 -2.463 18292 1597 1 3 . 1 1 61 61 CYS H H 61 9.207 9.207 9.007 0.200 18292 1598 1 3 . 1 1 62 62 PRO HA H 62 4.266 4.266 4.431 -0.165 18292 1599 1 3 . 1 1 62 62 PRO C C 62 171.443 171.443 175.663 -4.220 18292 1600 1 3 . 1 1 62 62 PRO CA C 62 61.167 61.167 64.127 -2.960 18292 1601 1 3 . 1 1 62 62 PRO CB C 62 29.450 29.450 32.280 -2.830 18292 1602 1 3 . 1 1 63 63 SER N N 63 108.558 108.558 112.669 -4.111 18292 1603 1 3 . 1 1 63 63 SER HA H 63 4.606 4.606 4.704 -0.098 18292 1604 1 3 . 1 1 63 63 SER C C 63 171.147 171.147 174.453 -3.306 18292 1605 1 3 . 1 1 63 63 SER CA C 63 53.259 53.259 56.834 -3.575 18292 1606 1 3 . 1 1 63 63 SER CB C 63 63.378 63.378 66.833 -3.455 18292 1607 1 3 . 1 1 63 63 SER H H 63 6.990 6.990 7.621 -0.631 18292 1608 1 3 . 1 1 64 64 ILE N N 64 122.885 122.885 125.656 -2.771 18292 1609 1 3 . 1 1 64 64 ILE HA H 64 3.462 3.462 3.905 -0.443 18292 1610 1 3 . 1 1 64 64 ILE C C 64 174.204 174.204 177.669 -3.465 18292 1611 1 3 . 1 1 64 64 ILE CA C 64 62.955 62.955 64.991 -2.036 18292 1612 1 3 . 1 1 64 64 ILE CB C 64 35.297 35.297 37.982 -2.685 18292 1613 1 3 . 1 1 64 64 ILE H H 64 8.786 8.786 8.877 -0.091 18292 1614 1 3 . 1 1 65 65 ALA N N 65 120.653 120.653 121.844 -1.191 18292 1615 1 3 . 1 1 65 65 ALA HA H 65 3.890 3.890 3.983 -0.093 18292 1616 1 3 . 1 1 65 65 ALA C C 65 177.926 177.926 179.282 -1.356 18292 1617 1 3 . 1 1 65 65 ALA CA C 65 52.772 52.772 55.361 -2.589 18292 1618 1 3 . 1 1 65 65 ALA CB C 65 15.552 15.552 17.719 -2.167 18292 1619 1 3 . 1 1 65 65 ALA H H 65 8.287 8.287 8.384 -0.097 18292 1620 1 3 . 1 1 66 66 ALA N N 66 119.802 119.802 121.745 -1.943 18292 1621 1 3 . 1 1 66 66 ALA HA H 66 4.344 4.344 3.913 0.431 18292 1622 1 3 . 1 1 66 66 ALA C C 66 176.063 176.063 179.240 -3.177 18292 1623 1 3 . 1 1 66 66 ALA CA C 66 52.108 52.108 54.769 -2.661 18292 1624 1 3 . 1 1 66 66 ALA CB C 66 16.106 16.106 17.872 -1.766 18292 1625 1 3 . 1 1 66 66 ALA H H 66 7.952 7.952 8.012 -0.060 18292 1626 1 3 . 1 1 67 67 ALA N N 67 121.626 121.626 121.693 -0.067 18292 1627 1 3 . 1 1 67 67 ALA HA H 67 4.398 4.398 3.771 0.627 18292 1628 1 3 . 1 1 67 67 ALA C C 67 175.824 175.824 179.541 -3.717 18292 1629 1 3 . 1 1 67 67 ALA CA C 67 53.135 53.135 54.659 -1.524 18292 1630 1 3 . 1 1 67 67 ALA CB C 67 17.020 17.020 18.213 -1.193 18292 1631 1 3 . 1 1 67 67 ALA H H 67 7.332 7.332 7.544 -0.212 18292 1632 1 3 . 1 1 68 68 ILE N N 68 117.793 117.793 119.651 -1.858 18292 1633 1 3 . 1 1 68 68 ILE HA H 68 4.185 4.185 3.678 0.507 18292 1634 1 3 . 1 1 68 68 ILE C C 68 176.163 176.163 178.050 -1.887 18292 1635 1 3 . 1 1 68 68 ILE CA C 68 61.323 61.323 65.267 -3.944 18292 1636 1 3 . 1 1 68 68 ILE CB C 68 36.657 36.657 37.948 -1.291 18292 1637 1 3 . 1 1 68 68 ILE H H 68 8.655 8.655 8.405 0.250 18292 1638 1 3 . 1 1 69 69 ALA N N 69 119.051 119.051 120.787 -1.736 18292 1639 1 3 . 1 1 69 69 ALA HA H 69 3.836 3.836 3.904 -0.068 18292 1640 1 3 . 1 1 69 69 ALA C C 69 177.325 177.325 179.245 -1.920 18292 1641 1 3 . 1 1 69 69 ALA CA C 69 51.781 51.781 54.782 -3.001 18292 1642 1 3 . 1 1 69 69 ALA CB C 69 15.767 15.767 17.907 -2.140 18292 1643 1 3 . 1 1 69 69 ALA H H 69 7.377 7.377 7.624 -0.247 18292 1644 1 3 . 1 1 70 70 ALA N N 70 121.378 121.378 121.596 -0.218 18292 1645 1 3 . 1 1 70 70 ALA HA H 70 3.544 3.544 4.047 -0.503 18292 1646 1 3 . 1 1 70 70 ALA C C 70 176.012 176.012 178.900 -2.888 18292 1647 1 3 . 1 1 70 70 ALA CA C 70 52.966 52.966 54.588 -1.622 18292 1648 1 3 . 1 1 70 70 ALA CB C 70 16.740 16.740 18.395 -1.655 18292 1649 1 3 . 1 1 70 70 ALA H H 70 7.798 7.798 7.983 -0.185 18292 1650 1 3 . 1 1 71 71 VAL N N 71 119.944 119.944 117.613 2.331 18292 1651 1 3 . 1 1 71 71 VAL HA H 71 2.524 2.524 3.215 -0.691 18292 1652 1 3 . 1 1 71 71 VAL C C 71 175.408 175.408 177.749 -2.341 18292 1653 1 3 . 1 1 71 71 VAL CA C 71 64.993 64.993 66.695 -1.702 18292 1654 1 3 . 1 1 71 71 VAL CB C 71 28.184 28.184 31.491 -3.307 18292 1655 1 3 . 1 1 71 71 VAL H H 71 8.662 8.662 7.518 1.144 18292 1656 1 3 . 1 1 72 72 ASN N N 72 114.981 114.981 117.920 -2.939 18292 1657 1 3 . 1 1 72 72 ASN HA H 72 4.244 4.244 4.526 -0.282 18292 1658 1 3 . 1 1 72 72 ASN C C 72 174.490 174.490 177.030 -2.540 18292 1659 1 3 . 1 1 72 72 ASN CA C 72 52.776 52.776 55.442 -2.666 18292 1660 1 3 . 1 1 72 72 ASN CB C 72 35.394 35.394 38.136 -2.742 18292 1661 1 3 . 1 1 72 72 ASN H H 72 8.061 8.061 8.312 -0.251 18292 1662 1 3 . 1 1 73 73 ALA N N 73 120.308 120.308 119.685 0.623 18292 1663 1 3 . 1 1 73 73 ALA HA H 73 4.162 4.162 4.236 -0.074 18292 1664 1 3 . 1 1 73 73 ALA C C 73 176.245 176.245 177.966 -1.721 18292 1665 1 3 . 1 1 73 73 ALA CA C 73 51.058 51.058 53.968 -2.910 18292 1666 1 3 . 1 1 73 73 ALA CB C 73 17.457 17.457 19.243 -1.786 18292 1667 1 3 . 1 1 73 73 ALA H H 73 7.230 7.230 8.136 -0.906 18292 1668 1 3 . 1 1 74 74 LEU N N 74 118.156 118.156 117.781 0.375 18292 1669 1 3 . 1 1 74 74 LEU HA H 74 4.021 4.021 4.409 -0.388 18292 1670 1 3 . 1 1 74 74 LEU C C 74 173.863 173.863 176.125 -2.262 18292 1671 1 3 . 1 1 74 74 LEU CA C 74 53.853 53.853 55.964 -2.111 18292 1672 1 3 . 1 1 74 74 LEU CB C 74 41.552 41.552 43.630 -2.078 18292 1673 1 3 . 1 1 74 74 LEU H H 74 7.856 7.856 7.880 -0.024 18292 1674 1 3 . 1 1 75 75 HIS N N 75 117.126 117.126 119.362 -2.236 18292 1675 1 3 . 1 1 75 75 HIS HA H 75 3.830 3.830 4.311 -0.481 18292 1676 1 3 . 1 1 75 75 HIS C C 75 174.851 174.851 176.489 -1.638 18292 1677 1 3 . 1 1 75 75 HIS CA C 75 56.621 56.621 58.319 -1.698 18292 1678 1 3 . 1 1 75 75 HIS CB C 75 28.299 28.299 30.134 -1.835 18292 1679 1 3 . 1 1 75 75 HIS H H 75 8.434 8.434 8.379 0.055 18292 1680 1 3 . 1 1 76 76 GLY N N 76 116.761 116.761 116.360 0.401 18292 1681 1 3 . 1 1 76 76 GLY CA C 76 42.221 42.221 45.448 -3.227 18292 1682 1 3 . 1 1 76 76 GLY H H 76 8.418 8.418 8.733 -0.315 18292 1683 1 3 . 1 1 77 77 ARG N N 77 120.430 120.430 117.745 2.685 18292 1684 1 3 . 1 1 77 77 ARG HA H 77 4.248 4.248 4.661 -0.413 18292 1685 1 3 . 1 1 77 77 ARG C C 77 173.536 173.536 174.353 -0.817 18292 1686 1 3 . 1 1 77 77 ARG CA C 77 53.029 53.029 54.202 -1.173 18292 1687 1 3 . 1 1 77 77 ARG CB C 77 29.058 29.058 33.132 -4.074 18292 1688 1 3 . 1 1 77 77 ARG H H 77 7.385 7.385 7.654 -0.269 18292 1689 1 3 . 1 1 78 78 TRP N N 78 122.989 122.989 119.122 3.867 18292 1690 1 3 . 1 1 78 78 TRP HA H 78 4.941 4.941 5.235 -0.294 18292 1691 1 3 . 1 1 78 78 TRP C C 78 173.888 173.888 176.398 -2.510 18292 1692 1 3 . 1 1 78 78 TRP CA C 78 54.234 54.234 56.331 -2.097 18292 1693 1 3 . 1 1 78 78 TRP CB C 78 26.923 26.923 30.875 -3.952 18292 1694 1 3 . 1 1 78 78 TRP H H 78 8.463 8.463 8.352 0.111 18292 1695 1 3 . 1 1 79 79 PHE N N 79 126.899 126.899 124.880 2.019 18292 1696 1 3 . 1 1 79 79 PHE HA H 79 4.637 4.637 4.489 0.148 18292 1697 1 3 . 1 1 79 79 PHE C C 79 171.696 171.696 176.809 -5.113 18292 1698 1 3 . 1 1 79 79 PHE CA C 79 54.624 54.624 58.409 -3.785 18292 1699 1 3 . 1 1 79 79 PHE CB C 79 39.577 39.577 40.942 -1.365 18292 1700 1 3 . 1 1 79 79 PHE H H 79 9.500 9.500 9.130 0.370 18292 1701 1 3 . 1 1 80 80 ALA N N 80 130.285 130.285 124.172 6.113 18292 1702 1 3 . 1 1 80 80 ALA HA H 80 3.705 3.705 4.185 -0.480 18292 1703 1 3 . 1 1 80 80 ALA C C 80 174.560 174.560 176.685 -2.125 18292 1704 1 3 . 1 1 80 80 ALA CA C 80 49.993 49.993 52.485 -2.492 18292 1705 1 3 . 1 1 80 80 ALA CB C 80 14.479 14.479 16.814 -2.335 18292 1706 1 3 . 1 1 80 80 ALA H H 80 8.840 8.840 8.160 0.680 18292 1707 1 3 . 1 1 81 81 GLY N N 81 102.771 102.771 108.482 -5.711 18292 1708 1 3 . 1 1 81 81 GLY C C 81 171.087 171.087 173.662 -2.575 18292 1709 1 3 . 1 1 81 81 GLY CA C 81 42.891 42.891 45.037 -2.146 18292 1710 1 3 . 1 1 81 81 GLY H H 81 8.268 8.268 8.517 -0.249 18292 1711 1 3 . 1 1 82 82 LYS N N 82 120.307 120.307 117.549 2.758 18292 1712 1 3 . 1 1 82 82 LYS HA H 82 4.469 4.469 4.762 -0.293 18292 1713 1 3 . 1 1 82 82 LYS C C 82 170.688 170.688 174.592 -3.904 18292 1714 1 3 . 1 1 82 82 LYS CA C 82 52.029 52.029 54.485 -2.456 18292 1715 1 3 . 1 1 82 82 LYS CB C 82 32.776 32.776 34.564 -1.788 18292 1716 1 3 . 1 1 82 82 LYS H H 82 7.791 7.791 7.878 -0.087 18292 1717 1 3 . 1 1 83 83 MET N N 83 121.212 121.212 120.021 1.191 18292 1718 1 3 . 1 1 83 83 MET HA H 83 3.871 3.871 3.954 -0.083 18292 1719 1 3 . 1 1 83 83 MET C C 83 173.474 173.474 175.162 -1.688 18292 1720 1 3 . 1 1 83 83 MET CA C 83 51.968 51.968 55.865 -3.897 18292 1721 1 3 . 1 1 83 83 MET CB C 83 30.275 30.275 33.209 -2.934 18292 1722 1 3 . 1 1 83 83 MET H H 83 7.953 7.953 8.448 -0.495 18292 1723 1 3 . 1 1 84 84 ILE N N 84 128.512 128.512 120.143 8.369 18292 1724 1 3 . 1 1 84 84 ILE HA H 84 4.230 4.230 4.379 -0.149 18292 1725 1 3 . 1 1 84 84 ILE C C 84 173.459 173.459 174.391 -0.932 18292 1726 1 3 . 1 1 84 84 ILE CA C 84 58.832 58.832 58.931 -0.099 18292 1727 1 3 . 1 1 84 84 ILE CB C 84 36.088 36.088 40.567 -4.479 18292 1728 1 3 . 1 1 84 84 ILE H H 84 8.683 8.683 8.327 0.356 18292 1729 1 3 . 1 1 85 85 THR N N 85 115.456 115.456 117.341 -1.885 18292 1730 1 3 . 1 1 85 85 THR HA H 85 4.825 4.825 3.855 0.970 18292 1731 1 3 . 1 1 85 85 THR CA C 85 56.520 56.520 60.025 -3.505 18292 1732 1 3 . 1 1 85 85 THR CB C 85 68.803 68.803 69.354 -0.551 18292 1733 1 3 . 1 1 85 85 THR H H 85 7.318 7.318 8.098 -0.780 18292 1734 1 3 . 1 1 86 86 ALA N N 86 128.004 128.004 128.431 -0.427 18292 1735 1 3 . 1 1 86 86 ALA HA H 86 5.542 5.542 4.989 0.553 18292 1736 1 3 . 1 1 86 86 ALA C C 86 173.070 173.070 176.167 -3.097 18292 1737 1 3 . 1 1 86 86 ALA CA C 86 47.491 47.491 51.177 -3.686 18292 1738 1 3 . 1 1 86 86 ALA CB C 86 22.241 22.241 20.494 1.747 18292 1739 1 3 . 1 1 86 86 ALA H H 86 10.712 10.712 8.027 2.685 18292 1740 1 3 . 1 1 87 87 ALA N N 87 122.902 122.902 119.639 3.263 18292 1741 1 3 . 1 1 87 87 ALA HA H 87 4.499 4.499 4.823 -0.324 18292 1742 1 3 . 1 1 87 87 ALA C C 87 173.781 173.781 175.310 -1.529 18292 1743 1 3 . 1 1 87 87 ALA CA C 87 47.989 47.989 51.575 -3.586 18292 1744 1 3 . 1 1 87 87 ALA CB C 87 19.981 19.981 21.699 -1.718 18292 1745 1 3 . 1 1 87 87 ALA H H 87 8.413 8.413 8.246 0.167 18292 1746 1 3 . 1 1 88 88 TYR N N 88 120.267 120.267 120.962 -0.695 18292 1747 1 3 . 1 1 88 88 TYR HA H 88 4.723 4.723 4.920 -0.197 18292 1748 1 3 . 1 1 88 88 TYR C C 88 173.615 173.615 176.613 -2.998 18292 1749 1 3 . 1 1 88 88 TYR CA C 88 57.556 57.556 57.389 0.167 18292 1750 1 3 . 1 1 88 88 TYR CB C 88 36.474 36.474 39.494 -3.020 18292 1751 1 3 . 1 1 88 88 TYR H H 88 8.311 8.311 8.768 -0.457 18292 1752 1 3 . 1 1 89 89 VAL N N 89 123.298 123.298 122.574 0.724 18292 1753 1 3 . 1 1 89 89 VAL HA H 89 4.696 4.696 4.627 0.069 18292 1754 1 3 . 1 1 89 89 VAL CA C 89 55.899 55.899 59.669 -3.770 18292 1755 1 3 . 1 1 89 89 VAL CB C 89 33.445 33.445 33.584 -0.139 18292 1756 1 3 . 1 1 89 89 VAL H H 89 8.420 8.420 9.161 -0.741 18292 1757 1 3 . 1 1 90 90 PRO HA H 90 4.450 4.450 4.692 -0.242 18292 1758 1 3 . 1 1 90 90 PRO CA C 90 60.310 60.310 62.998 -2.688 18292 1759 1 3 . 1 1 90 90 PRO CB C 90 30.489 30.489 31.965 -1.476 18292 1760 1 3 . 1 1 91 91 LEU N N 91 126.649 126.649 127.391 -0.742 18292 1761 1 3 . 1 1 91 91 LEU HA H 91 3.975 3.975 4.319 -0.344 18292 1762 1 3 . 1 1 91 91 LEU CA C 91 56.691 56.691 59.378 -2.687 18292 1763 1 3 . 1 1 91 91 LEU CB C 91 37.139 37.139 39.980 -2.841 18292 1764 1 3 . 1 1 91 91 LEU H H 91 8.997 8.997 8.777 0.220 18292 1765 1 3 . 1 1 92 92 PRO HA H 92 4.211 4.211 4.381 -0.170 18292 1766 1 3 . 1 1 92 92 PRO C C 92 177.175 177.175 177.392 -0.217 18292 1767 1 3 . 1 1 92 92 PRO CA C 92 63.104 63.104 65.126 -2.022 18292 1768 1 3 . 1 1 92 92 PRO CB C 92 27.973 27.973 31.191 -3.218 18292 1769 1 3 . 1 1 93 93 THR N N 93 112.839 112.839 112.632 0.207 18292 1770 1 3 . 1 1 93 93 THR HA H 93 3.827 3.827 4.482 -0.655 18292 1771 1 3 . 1 1 93 93 THR C C 93 172.669 172.669 175.208 -2.539 18292 1772 1 3 . 1 1 93 93 THR CA C 93 63.096 63.096 63.541 -0.445 18292 1773 1 3 . 1 1 93 93 THR CB C 93 65.968 65.968 70.123 -4.155 18292 1774 1 3 . 1 1 93 93 THR H H 93 6.528 6.528 8.017 -1.489 18292 1775 1 3 . 1 1 94 94 TYR N N 94 125.195 125.195 124.938 0.257 18292 1776 1 3 . 1 1 94 94 TYR HA H 94 3.515 3.515 4.079 -0.564 18292 1777 1 3 . 1 1 94 94 TYR C C 94 174.953 174.953 176.564 -1.611 18292 1778 1 3 . 1 1 94 94 TYR CA C 94 60.012 60.012 62.599 -2.587 18292 1779 1 3 . 1 1 94 94 TYR CB C 94 37.588 37.588 38.627 -1.039 18292 1780 1 3 . 1 1 94 94 TYR H H 94 8.263 8.263 8.729 -0.466 18292 1781 1 3 . 1 1 95 95 HIS N N 95 114.994 114.994 116.364 -1.370 18292 1782 1 3 . 1 1 95 95 HIS HA H 95 4.187 4.187 4.336 -0.149 18292 1783 1 3 . 1 1 95 95 HIS C C 95 173.780 173.780 177.082 -3.302 18292 1784 1 3 . 1 1 95 95 HIS CA C 95 53.471 53.471 59.900 -6.429 18292 1785 1 3 . 1 1 95 95 HIS CB C 95 26.528 26.528 29.679 -3.151 18292 1786 1 3 . 1 1 95 95 HIS H H 95 8.529 8.529 8.042 0.487 18292 1787 1 3 . 1 1 96 96 ASN N N 96 116.599 116.599 116.049 0.550 18292 1788 1 3 . 1 1 96 96 ASN HA H 96 4.315 4.315 4.503 -0.188 18292 1789 1 3 . 1 1 96 96 ASN C C 96 175.849 175.849 176.420 -0.571 18292 1790 1 3 . 1 1 96 96 ASN CA C 96 52.814 52.814 55.183 -2.369 18292 1791 1 3 . 1 1 96 96 ASN CB C 96 36.453 36.453 38.451 -1.998 18292 1792 1 3 . 1 1 96 96 ASN H H 96 7.343 7.343 7.618 -0.275 18292 1793 1 3 . 1 1 97 97 LEU N N 97 119.316 119.316 118.751 0.565 18292 1794 1 3 . 1 1 97 97 LEU HA H 97 3.406 3.406 3.752 -0.346 18292 1795 1 3 . 1 1 97 97 LEU CA C 97 54.399 54.399 56.936 -2.537 18292 1796 1 3 . 1 1 97 97 LEU CB C 97 39.614 39.614 42.040 -2.426 18292 1797 1 3 . 1 1 97 97 LEU H H 97 7.299 7.299 7.220 0.079 18292 1798 1 3 . 1 1 98 98 PHE N N 98 113.688 113.688 114.090 -0.402 18292 1799 1 3 . 1 1 98 98 PHE HA H 98 4.696 4.696 4.718 -0.022 18292 1800 1 3 . 1 1 98 98 PHE CA C 98 54.399 54.399 54.733 -0.334 18292 1801 1 3 . 1 1 98 98 PHE CB C 98 35.380 35.380 38.266 -2.886 18292 1802 1 3 . 1 1 98 98 PHE H H 98 7.795 7.795 7.740 0.055 18292 1803 1 3 . 1 1 99 99 PRO HA H 99 4.430 4.430 4.381 0.049 18292 1804 1 3 . 1 1 99 99 PRO C C 99 176.469 176.469 176.295 0.174 18292 1805 1 3 . 1 1 99 99 PRO CA C 99 63.174 63.174 63.900 -0.726 18292 1806 1 3 . 1 1 99 99 PRO CB C 99 28.822 28.822 31.898 -3.075 18292 1807 1 3 . 1 1 100 100 ASP N N 100 115.482 115.482 117.582 -2.100 18292 1808 1 3 . 1 1 100 100 ASP HA H 100 4.306 4.306 4.513 -0.206 18292 1809 1 3 . 1 1 100 100 ASP C C 100 174.886 174.886 176.787 -1.901 18292 1810 1 3 . 1 1 100 100 ASP CA C 100 53.064 53.064 54.969 -1.905 18292 1811 1 3 . 1 1 100 100 ASP CB C 100 36.736 36.736 41.171 -4.435 18292 1812 1 3 . 1 1 100 100 ASP H H 100 8.897 8.897 8.256 0.641 18292 1813 1 3 . 1 1 101 101 SER N N 101 114.743 114.743 116.164 -1.421 18292 1814 1 3 . 1 1 101 101 SER HA H 101 3.876 3.876 4.274 -0.398 18292 1815 1 3 . 1 1 101 101 SER C C 101 173.539 173.539 176.546 -3.007 18292 1816 1 3 . 1 1 101 101 SER CA C 101 58.183 58.183 60.703 -2.520 18292 1817 1 3 . 1 1 101 101 SER CB C 101 61.403 61.403 62.220 -0.817 18292 1818 1 3 . 1 1 101 101 SER H H 101 8.057 8.057 8.448 -0.391 18292 1819 1 3 . 1 1 102 102 MET N N 102 122.103 122.103 120.555 1.548 18292 1820 1 3 . 1 1 102 102 MET HA H 102 3.340 3.340 4.350 -1.010 18292 1821 1 3 . 1 1 102 102 MET C C 102 174.488 174.488 177.351 -2.863 18292 1822 1 3 . 1 1 102 102 MET CA C 102 56.606 56.606 58.804 -2.198 18292 1823 1 3 . 1 1 102 102 MET CB C 102 31.312 31.312 31.912 -0.600 18292 1824 1 3 . 1 1 102 102 MET H H 102 7.319 7.319 7.706 -0.387 18292 1825 1 3 . 1 1 103 103 THR N N 103 104.780 104.780 112.091 -7.311 18292 1826 1 3 . 1 1 103 103 THR HA H 103 4.318 4.318 4.298 0.020 18292 1827 1 3 . 1 1 103 103 THR C C 103 171.121 171.121 175.056 -3.935 18292 1828 1 3 . 1 1 103 103 THR CA C 103 57.203 57.203 62.123 -4.920 18292 1829 1 3 . 1 1 103 103 THR CB C 103 65.753 65.753 68.433 -2.680 18292 1830 1 3 . 1 1 103 103 THR H H 103 7.216 7.216 7.834 -0.618 18292 1831 1 3 . 1 1 104 104 ALA N N 104 125.795 125.795 126.183 -0.388 18292 1832 1 3 . 1 1 104 104 ALA HA H 104 4.347 4.347 4.201 0.146 18292 1833 1 3 . 1 1 104 104 ALA C C 104 174.370 174.370 177.898 -3.528 18292 1834 1 3 . 1 1 104 104 ALA CA C 104 50.244 50.244 53.002 -2.758 18292 1835 1 3 . 1 1 104 104 ALA CB C 104 16.077 16.077 18.502 -2.425 18292 1836 1 3 . 1 1 104 104 ALA H H 104 6.605 6.605 7.784 -1.179 18292 1837 1 3 . 1 1 105 105 THR N N 105 111.482 111.482 116.529 -5.047 18292 1838 1 3 . 1 1 105 105 THR HA H 105 4.390 4.390 4.131 0.259 18292 1839 1 3 . 1 1 105 105 THR C C 105 171.563 171.563 174.228 -2.665 18292 1840 1 3 . 1 1 105 105 THR CA C 105 58.977 58.977 63.323 -4.346 18292 1841 1 3 . 1 1 105 105 THR CB C 105 68.537 68.537 68.872 -0.335 18292 1842 1 3 . 1 1 105 105 THR H H 105 8.698 8.698 8.476 0.222 18292 1843 1 3 . 1 1 106 106 GLN N N 106 123.003 123.003 119.635 3.368 18292 1844 1 3 . 1 1 106 106 GLN HA H 106 4.294 4.294 4.508 -0.214 18292 1845 1 3 . 1 1 106 106 GLN C C 106 172.973 172.973 174.885 -1.912 18292 1846 1 3 . 1 1 106 106 GLN CA C 106 52.710 52.710 53.851 -1.141 18292 1847 1 3 . 1 1 106 106 GLN CB C 106 27.282 27.282 29.456 -2.174 18292 1848 1 3 . 1 1 106 106 GLN H H 106 7.944 7.944 7.705 0.239 18292 1849 1 3 . 1 1 107 107 LEU N N 107 124.765 124.765 126.236 -1.471 18292 1850 1 3 . 1 1 107 107 LEU HA H 107 4.328 4.328 4.587 -0.259 18292 1851 1 3 . 1 1 107 107 LEU C C 107 174.110 174.110 177.429 -3.319 18292 1852 1 3 . 1 1 107 107 LEU CA C 107 52.798 52.798 55.339 -2.541 18292 1853 1 3 . 1 1 107 107 LEU CB C 107 37.829 37.829 41.836 -4.007 18292 1854 1 3 . 1 1 107 107 LEU H H 107 8.390 8.390 8.707 -0.317 18292 1855 1 3 . 1 1 108 108 LEU N N 108 122.332 122.332 125.243 -2.911 18292 1856 1 3 . 1 1 108 108 LEU HA H 108 4.259 4.259 4.520 -0.261 18292 1857 1 3 . 1 1 108 108 LEU C C 108 173.870 173.870 175.428 -1.558 18292 1858 1 3 . 1 1 108 108 LEU CA C 108 52.092 52.092 55.236 -3.144 18292 1859 1 3 . 1 1 108 108 LEU CB C 108 39.253 39.253 42.429 -3.176 18292 1860 1 3 . 1 1 108 108 LEU H H 108 8.480 8.480 8.582 -0.102 18292 1861 1 3 . 1 1 109 109 VAL N N 109 115.421 115.421 114.201 1.220 18292 1862 1 3 . 1 1 109 109 VAL HA H 109 4.444 4.444 4.586 -0.142 18292 1863 1 3 . 1 1 109 109 VAL CA C 109 55.640 55.640 58.532 -2.892 18292 1864 1 3 . 1 1 109 109 VAL CB C 109 31.153 31.153 33.396 -2.243 18292 1865 1 3 . 1 1 109 109 VAL H H 109 8.007 8.007 8.121 -0.114 18292 1866 1 3 . 1 1 110 110 PRO HA H 110 4.361 4.361 4.643 -0.282 18292 1867 1 3 . 1 1 110 110 PRO C C 110 173.778 173.778 175.492 -1.714 18292 1868 1 3 . 1 1 110 110 PRO CA C 110 59.737 59.737 62.496 -2.759 18292 1869 1 3 . 1 1 110 110 PRO CB C 110 29.710 29.710 33.065 -3.355 18292 1870 1 3 . 1 1 111 111 SER N N 111 120.434 120.434 114.582 5.852 18292 1871 1 3 . 1 1 111 111 SER HA H 111 4.139 4.139 4.529 -0.390 18292 1872 1 3 . 1 1 111 111 SER C C 111 172.475 172.475 174.284 -1.809 18292 1873 1 3 . 1 1 111 111 SER CA C 111 57.674 57.674 58.666 -0.992 18292 1874 1 3 . 1 1 111 111 SER CB C 111 60.580 60.580 65.322 -4.742 18292 1875 1 3 . 1 1 111 111 SER H H 111 9.945 9.945 9.116 0.829 18292 1876 1 3 . 1 1 112 112 ARG N N 112 121.013 121.013 121.859 -0.846 18292 1877 1 3 . 1 1 112 112 ARG HA H 112 4.253 4.253 4.561 -0.308 18292 1878 1 3 . 1 1 112 112 ARG C C 112 172.216 172.216 173.989 -1.773 18292 1879 1 3 . 1 1 112 112 ARG CA C 112 53.071 53.071 56.084 -3.013 18292 1880 1 3 . 1 1 112 112 ARG CB C 112 27.963 27.963 32.698 -4.735 18292 1881 1 3 . 1 1 112 112 ARG H H 112 7.861 7.861 8.362 -0.501 18292 1882 1 4 . 1 1 2 2 GLN N N 2 125.719 125.719 125.717 0.002 18292 1883 1 4 . 1 1 2 2 GLN HA H 2 4.571 4.571 4.763 -0.192 18292 1884 1 4 . 1 1 2 2 GLN CA C 2 50.502 50.502 54.081 -3.579 18292 1885 1 4 . 1 1 2 2 GLN CB C 2 26.254 26.254 31.591 -5.337 18292 1886 1 4 . 1 1 2 2 GLN H H 2 8.471 8.471 8.321 0.150 18292 1887 1 4 . 1 1 3 3 PRO HA H 3 4.311 4.311 4.376 -0.065 18292 1888 1 4 . 1 1 3 3 PRO C C 3 173.634 173.634 175.744 -2.110 18292 1889 1 4 . 1 1 3 3 PRO CA C 3 60.349 60.349 63.123 -2.774 18292 1890 1 4 . 1 1 3 3 PRO CB C 3 29.678 29.678 31.123 -1.445 18292 1891 1 4 . 1 1 4 4 LEU N N 4 122.253 122.253 126.395 -4.142 18292 1892 1 4 . 1 1 4 4 LEU HA H 4 4.133 4.133 4.419 -0.286 18292 1893 1 4 . 1 1 4 4 LEU C C 4 172.946 172.946 175.656 -2.710 18292 1894 1 4 . 1 1 4 4 LEU CA C 4 51.900 51.900 54.013 -2.113 18292 1895 1 4 . 1 1 4 4 LEU CB C 4 39.711 39.711 41.670 -1.959 18292 1896 1 4 . 1 1 4 4 LEU H H 4 7.912 7.912 7.706 0.206 18292 1897 1 4 . 1 1 5 5 ALA N N 5 122.619 122.619 128.533 -5.914 18292 1898 1 4 . 1 1 5 5 ALA HA H 5 2.385 2.385 3.951 -1.566 18292 1899 1 4 . 1 1 5 5 ALA C C 5 174.164 174.164 176.881 -2.717 18292 1900 1 4 . 1 1 5 5 ALA CA C 5 49.205 49.205 52.139 -2.934 18292 1901 1 4 . 1 1 5 5 ALA CB C 5 17.058 17.058 18.143 -1.085 18292 1902 1 4 . 1 1 5 5 ALA H H 5 7.415 7.415 8.410 -0.995 18292 1903 1 4 . 1 1 6 6 THR N N 6 112.768 112.768 116.694 -3.926 18292 1904 1 4 . 1 1 6 6 THR HA H 6 4.393 4.393 4.504 -0.111 18292 1905 1 4 . 1 1 6 6 THR C C 6 168.908 168.908 174.507 -5.599 18292 1906 1 4 . 1 1 6 6 THR CA C 6 56.371 56.371 60.064 -3.693 18292 1907 1 4 . 1 1 6 6 THR CB C 6 68.874 68.874 71.317 -2.443 18292 1908 1 4 . 1 1 6 6 THR H H 6 6.601 6.601 7.836 -1.235 18292 1909 1 4 . 1 1 7 7 GLN N N 7 111.707 111.707 117.441 -5.734 18292 1910 1 4 . 1 1 7 7 GLN HA H 7 4.344 4.344 4.354 -0.010 18292 1911 1 4 . 1 1 7 7 GLN C C 7 171.068 171.068 174.440 -3.372 18292 1912 1 4 . 1 1 7 7 GLN CA C 7 53.795 53.795 56.782 -2.987 18292 1913 1 4 . 1 1 7 7 GLN CB C 7 28.252 28.252 27.323 0.929 18292 1914 1 4 . 1 1 7 7 GLN H H 7 8.547 8.547 8.901 -0.354 18292 1915 1 4 . 1 1 8 8 CYS N N 8 118.669 118.669 116.553 2.116 18292 1916 1 4 . 1 1 8 8 CYS HA H 8 5.389 5.389 5.232 0.157 18292 1917 1 4 . 1 1 8 8 CYS C C 8 171.026 171.026 173.340 -2.314 18292 1918 1 4 . 1 1 8 8 CYS CA C 8 53.652 53.652 56.964 -3.312 18292 1919 1 4 . 1 1 8 8 CYS CB C 8 29.416 29.416 31.725 -2.309 18292 1920 1 4 . 1 1 8 8 CYS H H 8 8.558 8.558 7.419 1.139 18292 1921 1 4 . 1 1 9 9 PHE N N 9 117.117 117.117 116.664 0.453 18292 1922 1 4 . 1 1 9 9 PHE HA H 9 5.369 5.369 5.036 0.333 18292 1923 1 4 . 1 1 9 9 PHE C C 9 168.313 168.313 172.529 -4.216 18292 1924 1 4 . 1 1 9 9 PHE CA C 9 53.341 53.341 56.170 -2.829 18292 1925 1 4 . 1 1 9 9 PHE CB C 9 39.008 39.008 41.548 -2.540 18292 1926 1 4 . 1 1 9 9 PHE H H 9 9.533 9.533 8.669 0.864 18292 1927 1 4 . 1 1 10 10 GLN N N 10 118.344 118.344 117.267 1.077 18292 1928 1 4 . 1 1 10 10 GLN HA H 10 5.063 5.063 4.883 0.180 18292 1929 1 4 . 1 1 10 10 GLN C C 10 173.280 173.280 174.662 -1.382 18292 1930 1 4 . 1 1 10 10 GLN CA C 10 50.242 50.242 54.068 -3.826 18292 1931 1 4 . 1 1 10 10 GLN CB C 10 30.263 30.263 31.267 -1.004 18292 1932 1 4 . 1 1 10 10 GLN H H 10 9.299 9.299 8.998 0.301 18292 1933 1 4 . 1 1 11 11 LEU N N 11 128.664 128.664 124.803 3.861 18292 1934 1 4 . 1 1 11 11 LEU HA H 11 5.474 5.474 4.932 0.542 18292 1935 1 4 . 1 1 11 11 LEU C C 11 173.987 173.987 177.730 -3.743 18292 1936 1 4 . 1 1 11 11 LEU CA C 11 50.153 50.153 54.285 -4.132 18292 1937 1 4 . 1 1 11 11 LEU CB C 11 41.779 41.779 42.922 -1.143 18292 1938 1 4 . 1 1 11 11 LEU H H 11 9.679 9.679 7.996 1.683 18292 1939 1 4 . 1 1 12 12 SER N N 12 115.661 115.661 114.509 1.152 18292 1940 1 4 . 1 1 12 12 SER HA H 12 4.877 4.877 4.738 0.139 18292 1941 1 4 . 1 1 12 12 SER C C 12 170.086 170.086 173.257 -3.171 18292 1942 1 4 . 1 1 12 12 SER CA C 12 54.698 54.698 58.085 -3.387 18292 1943 1 4 . 1 1 12 12 SER CB C 12 63.054 63.054 63.078 -0.024 18292 1944 1 4 . 1 1 12 12 SER H H 12 8.717 8.717 8.300 0.417 18292 1945 1 4 . 1 1 13 13 ASN N N 13 114.812 114.812 118.520 -3.708 18292 1946 1 4 . 1 1 13 13 ASN HA H 13 4.165 4.165 4.689 -0.524 18292 1947 1 4 . 1 1 13 13 ASN C C 13 171.867 171.867 174.302 -2.435 18292 1948 1 4 . 1 1 13 13 ASN CA C 13 51.269 51.269 53.873 -2.604 18292 1949 1 4 . 1 1 13 13 ASN CB C 13 34.988 34.988 39.981 -4.993 18292 1950 1 4 . 1 1 13 13 ASN H H 13 8.563 8.563 8.542 0.021 18292 1951 1 4 . 1 1 14 14 MET N N 14 113.100 113.100 118.817 -5.717 18292 1952 1 4 . 1 1 14 14 MET HA H 14 4.258 4.258 3.701 0.557 18292 1953 1 4 . 1 1 14 14 MET C C 14 171.935 171.935 174.703 -2.768 18292 1954 1 4 . 1 1 14 14 MET CA C 14 53.020 53.020 56.279 -3.259 18292 1955 1 4 . 1 1 14 14 MET CB C 14 29.746 29.746 32.592 -2.846 18292 1956 1 4 . 1 1 14 14 MET H H 14 8.261 8.261 7.855 0.406 18292 1957 1 4 . 1 1 15 15 PHE N N 15 108.769 108.769 109.400 -0.631 18292 1958 1 4 . 1 1 15 15 PHE HA H 15 4.485 4.485 4.745 -0.260 18292 1959 1 4 . 1 1 15 15 PHE C C 15 170.024 170.024 173.463 -3.439 18292 1960 1 4 . 1 1 15 15 PHE CA C 15 53.080 53.080 55.568 -2.487 18292 1961 1 4 . 1 1 15 15 PHE CB C 15 36.300 36.300 39.986 -3.686 18292 1962 1 4 . 1 1 15 15 PHE H H 15 6.804 6.804 6.868 -0.064 18292 1963 1 4 . 1 1 16 16 ASN N N 16 117.922 117.922 117.221 0.701 18292 1964 1 4 . 1 1 16 16 ASN HA H 16 4.932 4.932 5.246 -0.314 18292 1965 1 4 . 1 1 16 16 ASN CA C 16 47.510 47.510 50.636 -3.126 18292 1966 1 4 . 1 1 16 16 ASN CB C 16 36.512 36.512 40.649 -4.137 18292 1967 1 4 . 1 1 16 16 ASN H H 16 8.681 8.681 8.660 0.021 18292 1968 1 4 . 1 1 17 17 PRO HA H 17 4.102 4.102 4.712 -0.610 18292 1969 1 4 . 1 1 17 17 PRO C C 17 174.773 174.773 176.312 -1.539 18292 1970 1 4 . 1 1 17 17 PRO CA C 17 61.933 61.933 64.092 -2.159 18292 1971 1 4 . 1 1 17 17 PRO CB C 17 29.557 29.557 32.538 -2.981 18292 1972 1 4 . 1 1 18 18 GLN N N 18 116.462 116.462 118.126 -1.664 18292 1973 1 4 . 1 1 18 18 GLN HA H 18 4.146 4.146 4.492 -0.346 18292 1974 1 4 . 1 1 18 18 GLN C C 18 174.423 174.423 175.069 -0.646 18292 1975 1 4 . 1 1 18 18 GLN CA C 18 54.067 54.067 55.366 -1.299 18292 1976 1 4 . 1 1 18 18 GLN CB C 18 26.326 26.326 28.965 -2.639 18292 1977 1 4 . 1 1 18 18 GLN H H 18 7.934 7.934 8.061 -0.127 18292 1978 1 4 . 1 1 19 19 THR N N 19 112.362 112.362 115.261 -2.899 18292 1979 1 4 . 1 1 19 19 THR HA H 19 4.176 4.176 4.266 -0.090 18292 1980 1 4 . 1 1 19 19 THR C C 19 171.908 171.908 172.527 -0.619 18292 1981 1 4 . 1 1 19 19 THR CA C 19 59.509 59.509 60.810 -1.301 18292 1982 1 4 . 1 1 19 19 THR CB C 19 66.360 66.360 68.887 -2.527 18292 1983 1 4 . 1 1 19 19 THR H H 19 7.723 7.723 7.764 -0.041 18292 1984 1 4 . 1 1 20 20 GLU N N 20 120.326 120.326 124.456 -4.130 18292 1985 1 4 . 1 1 20 20 GLU HA H 20 3.658 3.658 3.356 0.302 18292 1986 1 4 . 1 1 20 20 GLU C C 20 173.311 173.311 175.660 -2.349 18292 1987 1 4 . 1 1 20 20 GLU CA C 20 53.164 53.164 55.737 -2.573 18292 1988 1 4 . 1 1 20 20 GLU CB C 20 25.837 25.837 29.643 -3.806 18292 1989 1 4 . 1 1 20 20 GLU H H 20 7.312 7.312 7.980 -0.668 18292 1990 1 4 . 1 1 21 21 GLU N N 21 120.796 120.796 119.522 1.274 18292 1991 1 4 . 1 1 21 21 GLU HA H 21 4.162 4.162 4.222 -0.060 18292 1992 1 4 . 1 1 21 21 GLU C C 21 173.747 173.747 176.148 -2.401 18292 1993 1 4 . 1 1 21 21 GLU CA C 21 53.873 53.873 57.277 -3.404 18292 1994 1 4 . 1 1 21 21 GLU CB C 21 28.445 28.445 29.705 -1.260 18292 1995 1 4 . 1 1 21 21 GLU H H 21 8.011 8.011 8.585 -0.574 18292 1996 1 4 . 1 1 22 22 GLU N N 22 121.370 121.370 118.369 3.001 18292 1997 1 4 . 1 1 22 22 GLU HA H 22 4.393 4.393 4.549 -0.156 18292 1998 1 4 . 1 1 22 22 GLU C C 22 173.536 173.536 175.283 -1.747 18292 1999 1 4 . 1 1 22 22 GLU CA C 22 52.982 52.982 55.093 -2.111 18292 2000 1 4 . 1 1 22 22 GLU CB C 22 28.012 28.012 31.813 -3.801 18292 2001 1 4 . 1 1 22 22 GLU H H 22 8.039 8.039 7.688 0.351 18292 2002 1 4 . 1 1 23 23 VAL N N 23 123.340 123.340 120.235 3.105 18292 2003 1 4 . 1 1 23 23 VAL HA H 23 3.901 3.901 4.188 -0.287 18292 2004 1 4 . 1 1 23 23 VAL C C 23 175.077 175.077 177.047 -1.970 18292 2005 1 4 . 1 1 23 23 VAL CA C 23 61.540 61.540 62.891 -1.351 18292 2006 1 4 . 1 1 23 23 VAL CB C 23 29.361 29.361 32.229 -2.868 18292 2007 1 4 . 1 1 23 23 VAL H H 23 8.447 8.447 8.411 0.036 18292 2008 1 4 . 1 1 24 24 GLY N N 24 114.476 114.476 112.306 2.170 18292 2009 1 4 . 1 1 24 24 GLY C C 24 173.717 173.717 176.336 -2.619 18292 2010 1 4 . 1 1 24 24 GLY CA C 24 42.667 42.667 45.743 -3.076 18292 2011 1 4 . 1 1 24 24 GLY H H 24 9.087 9.087 8.797 0.290 18292 2012 1 4 . 1 1 25 25 TRP N N 25 121.382 121.382 120.367 1.015 18292 2013 1 4 . 1 1 25 25 TRP HA H 25 4.214 4.214 4.618 -0.404 18292 2014 1 4 . 1 1 25 25 TRP C C 25 174.056 174.056 176.238 -2.182 18292 2015 1 4 . 1 1 25 25 TRP CA C 25 56.093 56.093 57.765 -1.672 18292 2016 1 4 . 1 1 25 25 TRP CB C 25 25.016 25.016 28.391 -3.375 18292 2017 1 4 . 1 1 26 26 ASP N N 26 118.789 118.789 120.479 -1.690 18292 2018 1 4 . 1 1 26 26 ASP HA H 26 3.261 3.261 4.086 -0.825 18292 2019 1 4 . 1 1 26 26 ASP C C 26 174.709 174.709 177.680 -2.971 18292 2020 1 4 . 1 1 26 26 ASP CA C 26 52.705 52.705 56.802 -4.097 18292 2021 1 4 . 1 1 26 26 ASP CB C 26 34.503 34.503 39.534 -5.031 18292 2022 1 4 . 1 1 26 26 ASP H H 26 7.939 7.939 8.061 -0.122 18292 2023 1 4 . 1 1 27 27 THR N N 27 118.934 118.934 115.976 2.958 18292 2024 1 4 . 1 1 27 27 THR HA H 27 3.552 3.552 3.950 -0.398 18292 2025 1 4 . 1 1 27 27 THR C C 27 172.390 172.390 176.920 -4.530 18292 2026 1 4 . 1 1 27 27 THR CA C 27 63.307 63.307 66.143 -2.836 18292 2027 1 4 . 1 1 27 27 THR CB C 27 65.331 65.331 68.722 -3.391 18292 2028 1 4 . 1 1 27 27 THR H H 27 7.103 7.103 7.825 -0.722 18292 2029 1 4 . 1 1 28 28 GLU N N 28 120.484 120.484 121.382 -0.898 18292 2030 1 4 . 1 1 28 28 GLU HA H 28 3.978 3.978 4.153 -0.175 18292 2031 1 4 . 1 1 28 28 GLU C C 28 175.447 175.447 178.848 -3.401 18292 2032 1 4 . 1 1 28 28 GLU CA C 28 56.760 56.760 59.198 -2.438 18292 2033 1 4 . 1 1 28 28 GLU CB C 28 26.418 26.418 29.296 -2.878 18292 2034 1 4 . 1 1 28 28 GLU H H 28 7.473 7.473 7.650 -0.177 18292 2035 1 4 . 1 1 29 29 ILE N N 29 116.961 116.961 119.782 -2.821 18292 2036 1 4 . 1 1 29 29 ILE HA H 29 3.773 3.773 3.878 -0.105 18292 2037 1 4 . 1 1 29 29 ILE C C 29 174.605 174.605 177.910 -3.305 18292 2038 1 4 . 1 1 29 29 ILE CA C 29 61.243 61.243 65.018 -3.775 18292 2039 1 4 . 1 1 29 29 ILE CB C 29 35.267 35.267 37.691 -2.424 18292 2040 1 4 . 1 1 29 29 ILE H H 29 7.113 7.113 7.379 -0.266 18292 2041 1 4 . 1 1 30 30 LYS N N 30 118.457 118.457 120.687 -2.230 18292 2042 1 4 . 1 1 30 30 LYS HA H 30 3.430 3.430 3.878 -0.448 18292 2043 1 4 . 1 1 30 30 LYS C C 30 174.886 174.886 178.515 -3.629 18292 2044 1 4 . 1 1 30 30 LYS CA C 30 57.872 57.872 60.054 -2.182 18292 2045 1 4 . 1 1 30 30 LYS CB C 30 29.680 29.680 31.997 -2.317 18292 2046 1 4 . 1 1 30 30 LYS H H 30 7.480 7.480 8.273 -0.793 18292 2047 1 4 . 1 1 31 31 ASP N N 31 118.630 118.630 118.906 -0.276 18292 2048 1 4 . 1 1 31 31 ASP HA H 31 4.233 4.233 4.363 -0.130 18292 2049 1 4 . 1 1 31 31 ASP C C 31 175.558 175.558 177.913 -2.355 18292 2050 1 4 . 1 1 31 31 ASP CA C 31 55.137 55.137 57.535 -2.398 18292 2051 1 4 . 1 1 31 31 ASP CB C 31 36.829 36.829 40.688 -3.859 18292 2052 1 4 . 1 1 31 31 ASP H H 31 8.334 8.334 7.788 0.546 18292 2053 1 4 . 1 1 32 32 ASP N N 32 120.576 120.576 120.149 0.427 18292 2054 1 4 . 1 1 32 32 ASP HA H 32 4.277 4.277 4.500 -0.223 18292 2055 1 4 . 1 1 32 32 ASP C C 32 176.966 176.966 178.536 -1.570 18292 2056 1 4 . 1 1 32 32 ASP CA C 32 54.829 54.829 57.013 -2.184 18292 2057 1 4 . 1 1 32 32 ASP CB C 32 37.331 37.331 40.936 -3.605 18292 2058 1 4 . 1 1 32 32 ASP H H 32 8.189 8.189 7.680 0.509 18292 2059 1 4 . 1 1 33 33 VAL N N 33 121.083 121.083 119.369 1.714 18292 2060 1 4 . 1 1 33 33 VAL HA H 33 3.444 3.444 3.866 -0.422 18292 2061 1 4 . 1 1 33 33 VAL C C 33 175.529 175.529 178.400 -2.871 18292 2062 1 4 . 1 1 33 33 VAL CA C 33 64.511 64.511 66.007 -1.496 18292 2063 1 4 . 1 1 33 33 VAL CB C 33 28.920 28.920 31.263 -2.343 18292 2064 1 4 . 1 1 33 33 VAL H H 33 8.069 8.069 7.636 0.433 18292 2065 1 4 . 1 1 34 34 ILE N N 34 122.145 122.145 120.922 1.223 18292 2066 1 4 . 1 1 34 34 ILE HA H 34 3.272 3.272 3.828 -0.556 18292 2067 1 4 . 1 1 34 34 ILE C C 34 174.723 174.723 178.400 -3.677 18292 2068 1 4 . 1 1 34 34 ILE CA C 34 63.723 63.723 64.870 -1.147 18292 2069 1 4 . 1 1 34 34 ILE CB C 34 35.949 35.949 37.735 -1.786 18292 2070 1 4 . 1 1 34 34 ILE H H 34 8.887 8.887 8.004 0.883 18292 2071 1 4 . 1 1 35 35 GLU N N 35 117.927 117.927 120.234 -2.307 18292 2072 1 4 . 1 1 35 35 GLU HA H 35 3.830 3.830 3.941 -0.111 18292 2073 1 4 . 1 1 35 35 GLU C C 35 176.747 176.747 179.168 -2.421 18292 2074 1 4 . 1 1 35 35 GLU CA C 35 57.183 57.183 59.907 -2.724 18292 2075 1 4 . 1 1 35 35 GLU CB C 35 26.969 26.969 29.285 -2.316 18292 2076 1 4 . 1 1 35 35 GLU H H 35 8.565 8.565 7.945 0.620 18292 2077 1 4 . 1 1 36 36 GLU N N 36 117.299 117.299 118.939 -1.640 18292 2078 1 4 . 1 1 36 36 GLU HA H 36 4.012 4.012 4.024 -0.012 18292 2079 1 4 . 1 1 36 36 GLU C C 36 176.604 176.604 178.988 -2.384 18292 2080 1 4 . 1 1 36 36 GLU CA C 36 56.357 56.357 59.793 -3.436 18292 2081 1 4 . 1 1 36 36 GLU CB C 36 26.612 26.612 29.613 -3.001 18292 2082 1 4 . 1 1 36 36 GLU H H 36 7.523 7.523 7.914 -0.391 18292 2083 1 4 . 1 1 37 37 CYS N N 37 116.308 116.308 117.778 -1.470 18292 2084 1 4 . 1 1 37 37 CYS HA H 37 4.141 4.141 4.271 -0.130 18292 2085 1 4 . 1 1 37 37 CYS C C 37 175.888 175.888 176.728 -0.840 18292 2086 1 4 . 1 1 37 37 CYS CA C 37 61.915 61.915 62.265 -0.350 18292 2087 1 4 . 1 1 37 37 CYS CB C 37 24.513 24.513 27.398 -2.885 18292 2088 1 4 . 1 1 37 37 CYS H H 37 8.754 8.754 8.141 0.613 18292 2089 1 4 . 1 1 38 38 ASN N N 38 121.598 121.598 117.671 3.927 18292 2090 1 4 . 1 1 38 38 ASN HA H 38 4.452 4.452 4.475 -0.023 18292 2091 1 4 . 1 1 38 38 ASN C C 38 174.340 174.340 176.758 -2.418 18292 2092 1 4 . 1 1 38 38 ASN CA C 38 52.249 52.249 56.091 -3.842 18292 2093 1 4 . 1 1 38 38 ASN CB C 38 34.488 34.488 38.323 -3.835 18292 2094 1 4 . 1 1 38 38 ASN H H 38 8.800 8.800 8.128 0.672 18292 2095 1 4 . 1 1 39 39 LYS N N 39 119.297 119.297 117.431 1.866 18292 2096 1 4 . 1 1 39 39 LYS HA H 39 4.002 4.002 4.062 -0.060 18292 2097 1 4 . 1 1 39 39 LYS C C 39 174.388 174.388 177.883 -3.495 18292 2098 1 4 . 1 1 39 39 LYS CA C 39 55.239 55.239 58.000 -2.761 18292 2099 1 4 . 1 1 39 39 LYS CB C 39 29.477 29.477 32.387 -2.910 18292 2100 1 4 . 1 1 39 39 LYS H H 39 7.427 7.427 7.491 -0.064 18292 2101 1 4 . 1 1 40 40 HIS N N 40 114.421 114.421 114.412 0.009 18292 2102 1 4 . 1 1 40 40 HIS HA H 40 4.896 4.896 4.764 0.132 18292 2103 1 4 . 1 1 40 40 HIS C C 40 171.895 171.895 176.040 -4.145 18292 2104 1 4 . 1 1 40 40 HIS CA C 40 51.758 51.758 56.025 -4.267 18292 2105 1 4 . 1 1 40 40 HIS CB C 40 28.775 28.775 31.530 -2.756 18292 2106 1 4 . 1 1 40 40 HIS H H 40 7.453 7.453 7.560 -0.107 18292 2107 1 4 . 1 1 41 41 GLY N N 41 106.587 106.587 106.341 0.246 18292 2108 1 4 . 1 1 41 41 GLY C C 41 171.376 171.376 173.509 -2.133 18292 2109 1 4 . 1 1 41 41 GLY CA C 41 42.388 42.388 45.051 -2.663 18292 2110 1 4 . 1 1 41 41 GLY H H 41 7.599 7.599 8.524 -0.925 18292 2111 1 4 . 1 1 42 42 GLY N N 42 107.066 107.066 107.624 -0.558 18292 2112 1 4 . 1 1 42 42 GLY C C 42 169.120 169.120 171.728 -2.608 18292 2113 1 4 . 1 1 42 42 GLY CA C 42 41.518 41.518 44.803 -3.285 18292 2114 1 4 . 1 1 42 42 GLY H H 42 7.942 7.942 8.245 -0.303 18292 2115 1 4 . 1 1 43 43 VAL N N 43 114.640 114.640 119.692 -5.052 18292 2116 1 4 . 1 1 43 43 VAL HA H 43 4.527 4.527 4.649 -0.122 18292 2117 1 4 . 1 1 43 43 VAL C C 43 169.861 169.861 174.575 -4.714 18292 2118 1 4 . 1 1 43 43 VAL CA C 43 58.404 58.404 60.661 -2.257 18292 2119 1 4 . 1 1 43 43 VAL CB C 43 31.692 31.692 35.244 -3.552 18292 2120 1 4 . 1 1 43 43 VAL H H 43 8.679 8.679 8.398 0.281 18292 2121 1 4 . 1 1 44 44 ILE N N 44 115.792 115.792 121.691 -5.899 18292 2122 1 4 . 1 1 44 44 ILE HA H 44 4.918 4.918 5.057 -0.139 18292 2123 1 4 . 1 1 44 44 ILE C C 44 172.246 172.246 174.662 -2.416 18292 2124 1 4 . 1 1 44 44 ILE CA C 44 57.770 57.770 60.483 -2.713 18292 2125 1 4 . 1 1 44 44 ILE CB C 44 37.197 37.197 39.770 -2.574 18292 2126 1 4 . 1 1 44 44 ILE H H 44 8.587 8.587 8.761 -0.174 18292 2127 1 4 . 1 1 45 45 HIS N N 45 122.684 122.684 118.203 4.481 18292 2128 1 4 . 1 1 45 45 HIS HA H 45 4.426 4.426 4.747 -0.321 18292 2129 1 4 . 1 1 45 45 HIS C C 45 168.452 168.452 172.624 -4.172 18292 2130 1 4 . 1 1 45 45 HIS CA C 45 55.548 55.548 56.177 -0.629 18292 2131 1 4 . 1 1 45 45 HIS CB C 45 31.632 31.632 33.981 -2.349 18292 2132 1 4 . 1 1 45 45 HIS H H 45 7.791 7.791 7.675 0.116 18292 2133 1 4 . 1 1 46 46 ILE N N 46 123.917 123.917 126.556 -2.639 18292 2134 1 4 . 1 1 46 46 ILE HA H 46 5.120 5.120 4.817 0.303 18292 2135 1 4 . 1 1 46 46 ILE C C 46 170.171 170.171 174.009 -3.838 18292 2136 1 4 . 1 1 46 46 ILE CA C 46 56.063 56.063 59.843 -3.780 18292 2137 1 4 . 1 1 46 46 ILE CB C 46 39.753 39.753 41.146 -1.393 18292 2138 1 4 . 1 1 46 46 ILE H H 46 7.391 7.391 8.351 -0.960 18292 2139 1 4 . 1 1 47 47 TYR N N 47 125.750 125.750 129.162 -3.412 18292 2140 1 4 . 1 1 47 47 TYR HA H 47 4.370 4.370 4.760 -0.390 18292 2141 1 4 . 1 1 47 47 TYR C C 47 171.029 171.029 173.623 -2.594 18292 2142 1 4 . 1 1 47 47 TYR CA C 47 54.800 54.800 56.648 -1.848 18292 2143 1 4 . 1 1 47 47 TYR CB C 47 39.851 39.851 40.179 -0.328 18292 2144 1 4 . 1 1 47 47 TYR H H 47 9.055 9.055 8.962 0.093 18292 2145 1 4 . 1 1 48 48 VAL N N 48 129.720 129.720 128.387 1.333 18292 2146 1 4 . 1 1 48 48 VAL HA H 48 3.869 3.869 3.807 0.062 18292 2147 1 4 . 1 1 48 48 VAL C C 48 170.949 170.949 174.443 -3.494 18292 2148 1 4 . 1 1 48 48 VAL CA C 48 59.328 59.328 63.238 -3.910 18292 2149 1 4 . 1 1 48 48 VAL CB C 48 29.022 29.022 31.723 -2.701 18292 2150 1 4 . 1 1 48 48 VAL H H 48 8.290 8.290 8.644 -0.354 18292 2151 1 4 . 1 1 49 49 ASP N N 49 125.287 125.287 126.397 -1.110 18292 2152 1 4 . 1 1 49 49 ASP HA H 49 4.703 4.703 4.673 0.030 18292 2153 1 4 . 1 1 49 49 ASP C C 49 173.851 173.851 175.702 -1.851 18292 2154 1 4 . 1 1 49 49 ASP CA C 49 50.349 50.349 51.876 -1.527 18292 2155 1 4 . 1 1 49 49 ASP CB C 49 38.139 38.139 42.411 -4.272 18292 2156 1 4 . 1 1 49 49 ASP H H 49 8.274 8.274 8.107 0.167 18292 2157 1 4 . 1 1 50 50 LYS N N 50 125.099 125.099 125.479 -0.380 18292 2158 1 4 . 1 1 50 50 LYS HA H 50 4.096 4.096 4.166 -0.070 18292 2159 1 4 . 1 1 50 50 LYS C C 50 173.120 173.120 177.135 -4.015 18292 2160 1 4 . 1 1 50 50 LYS CA C 50 56.284 56.284 58.579 -2.295 18292 2161 1 4 . 1 1 50 50 LYS CB C 50 29.763 29.763 32.093 -2.329 18292 2162 1 4 . 1 1 50 50 LYS H H 50 8.090 8.090 8.655 -0.565 18292 2163 1 4 . 1 1 51 51 ASN N N 51 114.422 114.422 115.740 -1.318 18292 2164 1 4 . 1 1 51 51 ASN HA H 51 4.931 4.931 4.809 0.122 18292 2165 1 4 . 1 1 51 51 ASN C C 51 172.685 172.685 175.579 -2.894 18292 2166 1 4 . 1 1 51 51 ASN CA C 51 50.744 50.744 53.616 -2.872 18292 2167 1 4 . 1 1 51 51 ASN CB C 51 37.036 37.036 39.294 -2.258 18292 2168 1 4 . 1 1 51 51 ASN H H 51 8.272 8.272 8.410 -0.138 18292 2169 1 4 . 1 1 52 52 SER N N 52 115.013 115.013 116.682 -1.669 18292 2170 1 4 . 1 1 52 52 SER HA H 52 4.410 4.410 4.557 -0.147 18292 2171 1 4 . 1 1 52 52 SER C C 52 172.628 172.628 174.911 -2.283 18292 2172 1 4 . 1 1 52 52 SER CA C 52 55.035 55.035 58.698 -3.663 18292 2173 1 4 . 1 1 52 52 SER CB C 52 61.604 61.604 64.743 -3.139 18292 2174 1 4 . 1 1 52 52 SER H H 52 7.920 7.920 7.785 0.135 18292 2175 1 4 . 1 1 53 53 ALA N N 53 129.163 129.163 125.509 3.654 18292 2176 1 4 . 1 1 53 53 ALA HA H 53 4.088 4.088 4.275 -0.187 18292 2177 1 4 . 1 1 53 53 ALA C C 53 175.951 175.951 178.419 -2.468 18292 2178 1 4 . 1 1 53 53 ALA CA C 53 51.409 51.409 53.570 -2.161 18292 2179 1 4 . 1 1 53 53 ALA CB C 53 15.878 15.878 19.284 -3.405 18292 2180 1 4 . 1 1 53 53 ALA H H 53 8.837 8.837 8.574 0.263 18292 2181 1 4 . 1 1 54 54 GLN N N 54 113.081 113.081 117.653 -4.572 18292 2182 1 4 . 1 1 54 54 GLN HA H 54 4.202 4.202 4.398 -0.196 18292 2183 1 4 . 1 1 54 54 GLN C C 54 173.388 173.388 174.966 -1.578 18292 2184 1 4 . 1 1 54 54 GLN CA C 54 52.993 52.993 54.156 -1.163 18292 2185 1 4 . 1 1 54 54 GLN CB C 54 26.360 26.360 29.157 -2.797 18292 2186 1 4 . 1 1 54 54 GLN H H 54 7.836 7.836 8.130 -0.294 18292 2187 1 4 . 1 1 55 55 GLY N N 55 108.967 108.967 108.457 0.510 18292 2188 1 4 . 1 1 55 55 GLY CA C 55 45.087 45.087 44.771 0.316 18292 2189 1 4 . 1 1 55 55 GLY H H 55 7.191 7.191 8.431 -1.240 18292 2190 1 4 . 1 1 56 56 ASN N N 56 114.505 114.505 118.689 -4.184 18292 2191 1 4 . 1 1 56 56 ASN HA H 56 5.520 5.520 5.114 0.406 18292 2192 1 4 . 1 1 56 56 ASN C C 56 172.166 172.166 174.131 -1.965 18292 2193 1 4 . 1 1 56 56 ASN CA C 56 50.462 50.462 53.136 -2.674 18292 2194 1 4 . 1 1 56 56 ASN CB C 56 38.400 38.400 41.115 -2.715 18292 2195 1 4 . 1 1 56 56 ASN H H 56 7.614 7.614 7.899 -0.285 18292 2196 1 4 . 1 1 57 57 VAL N N 57 119.859 119.859 119.977 -0.118 18292 2197 1 4 . 1 1 57 57 VAL HA H 57 4.692 4.692 4.757 -0.065 18292 2198 1 4 . 1 1 57 57 VAL C C 57 170.667 170.667 173.535 -2.868 18292 2199 1 4 . 1 1 57 57 VAL CA C 57 58.163 58.163 59.790 -1.627 18292 2200 1 4 . 1 1 57 57 VAL CB C 57 33.663 33.663 35.581 -1.918 18292 2201 1 4 . 1 1 57 57 VAL H H 57 8.354 8.354 7.913 0.441 18292 2202 1 4 . 1 1 58 58 TYR N N 58 128.478 128.478 122.977 5.501 18292 2203 1 4 . 1 1 58 58 TYR HA H 58 4.937 4.937 4.669 0.268 18292 2204 1 4 . 1 1 58 58 TYR C C 58 170.605 170.605 174.305 -3.700 18292 2205 1 4 . 1 1 58 58 TYR CA C 58 55.354 55.354 57.177 -1.823 18292 2206 1 4 . 1 1 58 58 TYR CB C 58 37.775 37.775 40.868 -3.093 18292 2207 1 4 . 1 1 58 58 TYR H H 58 9.275 9.275 8.769 0.506 18292 2208 1 4 . 1 1 59 59 VAL N N 59 123.117 123.117 122.773 0.344 18292 2209 1 4 . 1 1 59 59 VAL HA H 59 4.462 4.462 4.938 -0.476 18292 2210 1 4 . 1 1 59 59 VAL C C 59 170.875 170.875 173.936 -3.061 18292 2211 1 4 . 1 1 59 59 VAL CA C 59 58.527 58.527 60.106 -1.579 18292 2212 1 4 . 1 1 59 59 VAL CB C 59 32.611 32.611 35.074 -2.463 18292 2213 1 4 . 1 1 59 59 VAL H H 59 8.860 8.860 8.567 0.293 18292 2214 1 4 . 1 1 60 60 LYS N N 60 123.266 123.266 126.292 -3.026 18292 2215 1 4 . 1 1 60 60 LYS HA H 60 4.745 4.745 4.732 0.013 18292 2216 1 4 . 1 1 60 60 LYS C C 60 173.399 173.399 174.965 -1.566 18292 2217 1 4 . 1 1 60 60 LYS CA C 60 52.207 52.207 54.677 -2.470 18292 2218 1 4 . 1 1 60 60 LYS CB C 60 34.244 34.244 35.901 -1.657 18292 2219 1 4 . 1 1 60 60 LYS H H 60 8.668 8.668 8.967 -0.299 18292 2220 1 4 . 1 1 61 61 CYS N N 61 125.267 125.267 125.657 -0.390 18292 2221 1 4 . 1 1 61 61 CYS HA H 61 4.740 4.740 4.869 -0.129 18292 2222 1 4 . 1 1 61 61 CYS CA C 61 56.393 56.393 56.470 -0.077 18292 2223 1 4 . 1 1 61 61 CYS CB C 61 27.416 27.416 28.502 -1.086 18292 2224 1 4 . 1 1 61 61 CYS H H 61 9.207 9.207 8.957 0.250 18292 2225 1 4 . 1 1 62 62 PRO HA H 62 4.266 4.266 4.418 -0.152 18292 2226 1 4 . 1 1 62 62 PRO C C 62 171.443 171.443 175.740 -4.297 18292 2227 1 4 . 1 1 62 62 PRO CA C 62 61.167 61.167 63.911 -2.744 18292 2228 1 4 . 1 1 62 62 PRO CB C 62 29.450 29.450 32.257 -2.807 18292 2229 1 4 . 1 1 63 63 SER N N 63 108.558 108.558 112.673 -4.115 18292 2230 1 4 . 1 1 63 63 SER HA H 63 4.606 4.606 4.697 -0.091 18292 2231 1 4 . 1 1 63 63 SER C C 63 171.147 171.147 174.276 -3.129 18292 2232 1 4 . 1 1 63 63 SER CA C 63 53.259 53.259 56.774 -3.515 18292 2233 1 4 . 1 1 63 63 SER CB C 63 63.378 63.378 66.615 -3.237 18292 2234 1 4 . 1 1 63 63 SER H H 63 6.990 6.990 7.636 -0.646 18292 2235 1 4 . 1 1 64 64 ILE N N 64 122.885 122.885 125.065 -2.180 18292 2236 1 4 . 1 1 64 64 ILE HA H 64 3.462 3.462 3.742 -0.280 18292 2237 1 4 . 1 1 64 64 ILE C C 64 174.204 174.204 177.480 -3.276 18292 2238 1 4 . 1 1 64 64 ILE CA C 64 62.955 62.955 65.594 -2.639 18292 2239 1 4 . 1 1 64 64 ILE CB C 64 35.297 35.297 37.842 -2.545 18292 2240 1 4 . 1 1 64 64 ILE H H 64 8.786 8.786 8.799 -0.013 18292 2241 1 4 . 1 1 65 65 ALA N N 65 120.653 120.653 121.797 -1.144 18292 2242 1 4 . 1 1 65 65 ALA HA H 65 3.890 3.890 4.002 -0.112 18292 2243 1 4 . 1 1 65 65 ALA C C 65 177.926 177.926 179.188 -1.262 18292 2244 1 4 . 1 1 65 65 ALA CA C 65 52.772 52.772 55.446 -2.674 18292 2245 1 4 . 1 1 65 65 ALA CB C 65 15.552 15.552 17.769 -2.217 18292 2246 1 4 . 1 1 65 65 ALA H H 65 8.287 8.287 8.432 -0.145 18292 2247 1 4 . 1 1 66 66 ALA N N 66 119.802 119.802 120.475 -0.673 18292 2248 1 4 . 1 1 66 66 ALA HA H 66 4.344 4.344 4.432 -0.088 18292 2249 1 4 . 1 1 66 66 ALA C C 66 176.063 176.063 179.371 -3.308 18292 2250 1 4 . 1 1 66 66 ALA CA C 66 52.108 52.108 54.175 -2.067 18292 2251 1 4 . 1 1 66 66 ALA CB C 66 16.106 16.106 18.174 -2.067 18292 2252 1 4 . 1 1 66 66 ALA H H 66 7.952 7.952 8.395 -0.443 18292 2253 1 4 . 1 1 67 67 ALA N N 67 121.626 121.626 122.691 -1.065 18292 2254 1 4 . 1 1 67 67 ALA HA H 67 4.398 4.398 4.122 0.276 18292 2255 1 4 . 1 1 67 67 ALA C C 67 175.824 175.824 179.144 -3.320 18292 2256 1 4 . 1 1 67 67 ALA CA C 67 53.135 53.135 54.440 -1.305 18292 2257 1 4 . 1 1 67 67 ALA CB C 67 17.020 17.020 18.782 -1.762 18292 2258 1 4 . 1 1 67 67 ALA H H 67 7.332 7.332 7.576 -0.244 18292 2259 1 4 . 1 1 68 68 ILE N N 68 117.793 117.793 120.680 -2.887 18292 2260 1 4 . 1 1 68 68 ILE HA H 68 4.185 4.185 3.725 0.460 18292 2261 1 4 . 1 1 68 68 ILE C C 68 176.163 176.163 178.231 -2.068 18292 2262 1 4 . 1 1 68 68 ILE CA C 68 61.323 61.323 65.332 -4.009 18292 2263 1 4 . 1 1 68 68 ILE CB C 68 36.657 36.657 37.801 -1.144 18292 2264 1 4 . 1 1 68 68 ILE H H 68 8.655 8.655 8.565 0.090 18292 2265 1 4 . 1 1 69 69 ALA N N 69 119.051 119.051 120.367 -1.316 18292 2266 1 4 . 1 1 69 69 ALA HA H 69 3.836 3.836 3.809 0.027 18292 2267 1 4 . 1 1 69 69 ALA C C 69 177.325 177.325 178.801 -1.476 18292 2268 1 4 . 1 1 69 69 ALA CA C 69 51.781 51.781 54.963 -3.182 18292 2269 1 4 . 1 1 69 69 ALA CB C 69 15.767 15.767 17.872 -2.105 18292 2270 1 4 . 1 1 69 69 ALA H H 69 7.377 7.377 8.217 -0.840 18292 2271 1 4 . 1 1 70 70 ALA N N 70 121.378 121.378 121.405 -0.027 18292 2272 1 4 . 1 1 70 70 ALA HA H 70 3.544 3.544 3.548 -0.004 18292 2273 1 4 . 1 1 70 70 ALA C C 70 176.012 176.012 179.115 -3.103 18292 2274 1 4 . 1 1 70 70 ALA CA C 70 52.966 52.966 54.228 -1.262 18292 2275 1 4 . 1 1 70 70 ALA CB C 70 16.740 16.740 18.117 -1.377 18292 2276 1 4 . 1 1 70 70 ALA H H 70 7.798 7.798 7.079 0.719 18292 2277 1 4 . 1 1 71 71 VAL N N 71 119.944 119.944 118.641 1.303 18292 2278 1 4 . 1 1 71 71 VAL HA H 71 2.524 2.524 2.973 -0.449 18292 2279 1 4 . 1 1 71 71 VAL C C 71 175.408 175.408 178.058 -2.650 18292 2280 1 4 . 1 1 71 71 VAL CA C 71 64.993 64.993 66.794 -1.801 18292 2281 1 4 . 1 1 71 71 VAL CB C 71 28.184 28.184 30.861 -2.677 18292 2282 1 4 . 1 1 71 71 VAL H H 71 8.662 8.662 8.051 0.611 18292 2283 1 4 . 1 1 72 72 ASN N N 72 114.981 114.981 116.524 -1.543 18292 2284 1 4 . 1 1 72 72 ASN HA H 72 4.244 4.244 4.361 -0.117 18292 2285 1 4 . 1 1 72 72 ASN C C 72 174.490 174.490 176.144 -1.654 18292 2286 1 4 . 1 1 72 72 ASN CA C 72 52.776 52.776 55.943 -3.167 18292 2287 1 4 . 1 1 72 72 ASN CB C 72 35.394 35.394 38.455 -3.061 18292 2288 1 4 . 1 1 72 72 ASN H H 72 8.061 8.061 8.239 -0.178 18292 2289 1 4 . 1 1 73 73 ALA N N 73 120.308 120.308 122.784 -2.476 18292 2290 1 4 . 1 1 73 73 ALA HA H 73 4.162 4.162 4.140 0.022 18292 2291 1 4 . 1 1 73 73 ALA C C 73 176.245 176.245 178.817 -2.572 18292 2292 1 4 . 1 1 73 73 ALA CA C 73 51.058 51.058 53.859 -2.801 18292 2293 1 4 . 1 1 73 73 ALA CB C 73 17.457 17.457 19.140 -1.683 18292 2294 1 4 . 1 1 73 73 ALA H H 73 7.230 7.230 7.043 0.187 18292 2295 1 4 . 1 1 74 74 LEU N N 74 118.156 118.156 118.004 0.152 18292 2296 1 4 . 1 1 74 74 LEU HA H 74 4.021 4.021 4.104 -0.083 18292 2297 1 4 . 1 1 74 74 LEU C C 74 173.863 173.863 177.684 -3.821 18292 2298 1 4 . 1 1 74 74 LEU CA C 74 53.853 53.853 57.100 -3.247 18292 2299 1 4 . 1 1 74 74 LEU CB C 74 41.552 41.552 42.193 -0.641 18292 2300 1 4 . 1 1 74 74 LEU H H 74 7.856 7.856 7.963 -0.107 18292 2301 1 4 . 1 1 75 75 HIS N N 75 117.126 117.126 118.581 -1.455 18292 2302 1 4 . 1 1 75 75 HIS HA H 75 3.830 3.830 4.128 -0.298 18292 2303 1 4 . 1 1 75 75 HIS C C 75 174.851 174.851 175.976 -1.125 18292 2304 1 4 . 1 1 75 75 HIS CA C 75 56.621 56.621 58.421 -1.800 18292 2305 1 4 . 1 1 75 75 HIS CB C 75 28.299 28.299 29.475 -1.176 18292 2306 1 4 . 1 1 75 75 HIS H H 75 8.434 8.434 8.098 0.336 18292 2307 1 4 . 1 1 76 76 GLY N N 76 116.761 116.761 114.640 2.121 18292 2308 1 4 . 1 1 76 76 GLY CA C 76 42.221 42.221 44.740 -2.519 18292 2309 1 4 . 1 1 76 76 GLY H H 76 8.418 8.418 8.479 -0.061 18292 2310 1 4 . 1 1 77 77 ARG N N 77 120.430 120.430 119.935 0.495 18292 2311 1 4 . 1 1 77 77 ARG HA H 77 4.248 4.248 4.330 -0.082 18292 2312 1 4 . 1 1 77 77 ARG C C 77 173.536 173.536 175.589 -2.053 18292 2313 1 4 . 1 1 77 77 ARG CA C 77 53.029 53.029 56.456 -3.428 18292 2314 1 4 . 1 1 77 77 ARG CB C 77 29.058 29.058 31.404 -2.346 18292 2315 1 4 . 1 1 77 77 ARG H H 77 7.385 7.385 7.508 -0.123 18292 2316 1 4 . 1 1 78 78 TRP N N 78 122.989 122.989 119.691 3.298 18292 2317 1 4 . 1 1 78 78 TRP HA H 78 4.941 4.941 4.828 0.113 18292 2318 1 4 . 1 1 78 78 TRP C C 78 173.888 173.888 176.397 -2.509 18292 2319 1 4 . 1 1 78 78 TRP CA C 78 54.234 54.234 57.823 -3.589 18292 2320 1 4 . 1 1 78 78 TRP CB C 78 26.923 26.923 30.805 -3.882 18292 2321 1 4 . 1 1 78 78 TRP H H 78 8.463 8.463 8.214 0.249 18292 2322 1 4 . 1 1 79 79 PHE N N 79 126.899 126.899 118.860 8.039 18292 2323 1 4 . 1 1 79 79 PHE HA H 79 4.637 4.637 4.834 -0.197 18292 2324 1 4 . 1 1 79 79 PHE C C 79 171.696 171.696 176.653 -4.957 18292 2325 1 4 . 1 1 79 79 PHE CA C 79 54.624 54.624 57.007 -2.383 18292 2326 1 4 . 1 1 79 79 PHE CB C 79 39.577 39.577 43.053 -3.476 18292 2327 1 4 . 1 1 79 79 PHE H H 79 9.500 9.500 8.515 0.985 18292 2328 1 4 . 1 1 80 80 ALA N N 80 130.285 130.285 125.115 5.170 18292 2329 1 4 . 1 1 80 80 ALA HA H 80 3.705 3.705 4.240 -0.535 18292 2330 1 4 . 1 1 80 80 ALA C C 80 174.560 174.560 177.521 -2.961 18292 2331 1 4 . 1 1 80 80 ALA CA C 80 49.993 49.993 54.420 -4.427 18292 2332 1 4 . 1 1 80 80 ALA CB C 80 14.479 14.479 17.868 -3.389 18292 2333 1 4 . 1 1 80 80 ALA H H 80 8.840 8.840 8.401 0.439 18292 2334 1 4 . 1 1 81 81 GLY N N 81 102.771 102.771 104.468 -1.697 18292 2335 1 4 . 1 1 81 81 GLY C C 81 171.087 171.087 173.264 -2.177 18292 2336 1 4 . 1 1 81 81 GLY CA C 81 42.891 42.891 45.100 -2.209 18292 2337 1 4 . 1 1 81 81 GLY H H 81 8.268 8.268 7.783 0.485 18292 2338 1 4 . 1 1 82 82 LYS N N 82 120.307 120.307 118.057 2.250 18292 2339 1 4 . 1 1 82 82 LYS HA H 82 4.469 4.469 4.675 -0.206 18292 2340 1 4 . 1 1 82 82 LYS C C 82 170.688 170.688 173.801 -3.113 18292 2341 1 4 . 1 1 82 82 LYS CA C 82 52.029 52.029 55.063 -3.034 18292 2342 1 4 . 1 1 82 82 LYS CB C 82 32.776 32.776 34.407 -1.631 18292 2343 1 4 . 1 1 82 82 LYS H H 82 7.791 7.791 7.965 -0.174 18292 2344 1 4 . 1 1 83 83 MET N N 83 121.212 121.212 120.711 0.501 18292 2345 1 4 . 1 1 83 83 MET HA H 83 3.871 3.871 4.156 -0.285 18292 2346 1 4 . 1 1 83 83 MET C C 83 173.474 173.474 175.252 -1.778 18292 2347 1 4 . 1 1 83 83 MET CA C 83 51.968 51.968 54.894 -2.926 18292 2348 1 4 . 1 1 83 83 MET CB C 83 30.275 30.275 33.218 -2.943 18292 2349 1 4 . 1 1 83 83 MET H H 83 7.953 7.953 8.454 -0.501 18292 2350 1 4 . 1 1 84 84 ILE N N 84 128.512 128.512 125.404 3.108 18292 2351 1 4 . 1 1 84 84 ILE HA H 84 4.230 4.230 4.132 0.098 18292 2352 1 4 . 1 1 84 84 ILE C C 84 173.459 173.459 175.337 -1.878 18292 2353 1 4 . 1 1 84 84 ILE CA C 84 58.832 58.832 58.883 -0.051 18292 2354 1 4 . 1 1 84 84 ILE CB C 84 36.088 36.088 38.009 -1.921 18292 2355 1 4 . 1 1 84 84 ILE H H 84 8.683 8.683 8.910 -0.227 18292 2356 1 4 . 1 1 85 85 THR N N 85 115.456 115.456 115.557 -0.101 18292 2357 1 4 . 1 1 85 85 THR HA H 85 4.825 4.825 4.067 0.758 18292 2358 1 4 . 1 1 85 85 THR CA C 85 56.520 56.520 59.665 -3.145 18292 2359 1 4 . 1 1 85 85 THR CB C 85 68.803 68.803 71.499 -2.696 18292 2360 1 4 . 1 1 85 85 THR H H 85 7.318 7.318 8.117 -0.799 18292 2361 1 4 . 1 1 86 86 ALA N N 86 128.004 128.004 121.978 6.026 18292 2362 1 4 . 1 1 86 86 ALA HA H 86 5.542 5.542 5.276 0.266 18292 2363 1 4 . 1 1 86 86 ALA C C 86 173.070 173.070 174.985 -1.915 18292 2364 1 4 . 1 1 86 86 ALA CA C 86 47.491 47.491 50.812 -3.321 18292 2365 1 4 . 1 1 86 86 ALA CB C 86 22.241 22.241 22.378 -0.137 18292 2366 1 4 . 1 1 86 86 ALA H H 86 10.712 10.712 8.075 2.637 18292 2367 1 4 . 1 1 87 87 ALA N N 87 122.902 122.902 123.496 -0.594 18292 2368 1 4 . 1 1 87 87 ALA HA H 87 4.499 4.499 5.001 -0.502 18292 2369 1 4 . 1 1 87 87 ALA C C 87 173.781 173.781 175.021 -1.240 18292 2370 1 4 . 1 1 87 87 ALA CA C 87 47.989 47.989 51.075 -3.086 18292 2371 1 4 . 1 1 87 87 ALA CB C 87 19.981 19.981 22.189 -2.208 18292 2372 1 4 . 1 1 87 87 ALA H H 87 8.413 8.413 8.456 -0.043 18292 2373 1 4 . 1 1 88 88 TYR N N 88 120.267 120.267 118.939 1.328 18292 2374 1 4 . 1 1 88 88 TYR HA H 88 4.723 4.723 5.297 -0.574 18292 2375 1 4 . 1 1 88 88 TYR C C 88 173.615 173.615 176.571 -2.956 18292 2376 1 4 . 1 1 88 88 TYR CA C 88 57.556 57.556 57.388 0.168 18292 2377 1 4 . 1 1 88 88 TYR CB C 88 36.474 36.474 40.567 -4.093 18292 2378 1 4 . 1 1 88 88 TYR H H 88 8.311 8.311 8.542 -0.231 18292 2379 1 4 . 1 1 89 89 VAL N N 89 123.298 123.298 114.755 8.543 18292 2380 1 4 . 1 1 89 89 VAL HA H 89 4.696 4.696 4.882 -0.186 18292 2381 1 4 . 1 1 89 89 VAL CA C 89 55.899 55.899 58.528 -2.628 18292 2382 1 4 . 1 1 89 89 VAL CB C 89 33.445 33.445 33.583 -0.138 18292 2383 1 4 . 1 1 89 89 VAL H H 89 8.420 8.420 8.538 -0.118 18292 2384 1 4 . 1 1 90 90 PRO HA H 90 4.450 4.450 4.630 -0.180 18292 2385 1 4 . 1 1 90 90 PRO CA C 90 60.310 60.310 63.037 -2.727 18292 2386 1 4 . 1 1 90 90 PRO CB C 90 30.489 30.489 32.157 -1.668 18292 2387 1 4 . 1 1 91 91 LEU N N 91 126.649 126.649 126.790 -0.141 18292 2388 1 4 . 1 1 91 91 LEU HA H 91 3.975 3.975 4.305 -0.330 18292 2389 1 4 . 1 1 91 91 LEU CA C 91 56.691 56.691 59.466 -2.775 18292 2390 1 4 . 1 1 91 91 LEU CB C 91 37.139 37.139 39.403 -2.264 18292 2391 1 4 . 1 1 91 91 LEU H H 91 8.997 8.997 8.949 0.048 18292 2392 1 4 . 1 1 92 92 PRO HA H 92 4.211 4.211 4.615 -0.404 18292 2393 1 4 . 1 1 92 92 PRO C C 92 177.175 177.175 178.420 -1.245 18292 2394 1 4 . 1 1 92 92 PRO CA C 92 63.104 63.104 65.904 -2.800 18292 2395 1 4 . 1 1 92 92 PRO CB C 92 27.973 27.973 31.042 -3.069 18292 2396 1 4 . 1 1 93 93 THR N N 93 112.839 112.839 115.661 -2.822 18292 2397 1 4 . 1 1 93 93 THR HA H 93 3.827 3.827 4.215 -0.388 18292 2398 1 4 . 1 1 93 93 THR C C 93 172.669 172.669 176.429 -3.760 18292 2399 1 4 . 1 1 93 93 THR CA C 93 63.096 63.096 66.643 -3.547 18292 2400 1 4 . 1 1 93 93 THR CB C 93 65.968 65.968 68.290 -2.322 18292 2401 1 4 . 1 1 93 93 THR H H 93 6.528 6.528 8.225 -1.697 18292 2402 1 4 . 1 1 94 94 TYR N N 94 125.195 125.195 123.589 1.606 18292 2403 1 4 . 1 1 94 94 TYR HA H 94 3.515 3.515 4.192 -0.677 18292 2404 1 4 . 1 1 94 94 TYR C C 94 174.953 174.953 177.539 -2.586 18292 2405 1 4 . 1 1 94 94 TYR CA C 94 60.012 60.012 62.575 -2.563 18292 2406 1 4 . 1 1 94 94 TYR CB C 94 37.588 37.588 38.507 -0.919 18292 2407 1 4 . 1 1 94 94 TYR H H 94 8.263 8.263 8.674 -0.411 18292 2408 1 4 . 1 1 95 95 HIS N N 95 114.994 114.994 117.701 -2.707 18292 2409 1 4 . 1 1 95 95 HIS HA H 95 4.187 4.187 4.376 -0.189 18292 2410 1 4 . 1 1 95 95 HIS C C 95 173.780 173.780 177.554 -3.774 18292 2411 1 4 . 1 1 95 95 HIS CA C 95 53.471 53.471 60.541 -7.070 18292 2412 1 4 . 1 1 95 95 HIS CB C 95 26.528 26.528 29.568 -3.040 18292 2413 1 4 . 1 1 95 95 HIS H H 95 8.529 8.529 7.989 0.540 18292 2414 1 4 . 1 1 96 96 ASN N N 96 116.599 116.599 117.436 -0.837 18292 2415 1 4 . 1 1 96 96 ASN HA H 96 4.315 4.315 4.503 -0.188 18292 2416 1 4 . 1 1 96 96 ASN C C 96 175.849 175.849 177.541 -1.692 18292 2417 1 4 . 1 1 96 96 ASN CA C 96 52.814 52.814 55.986 -3.172 18292 2418 1 4 . 1 1 96 96 ASN CB C 96 36.453 36.453 38.554 -2.101 18292 2419 1 4 . 1 1 96 96 ASN H H 96 7.343 7.343 8.316 -0.973 18292 2420 1 4 . 1 1 97 97 LEU N N 97 119.316 119.316 118.752 0.564 18292 2421 1 4 . 1 1 97 97 LEU HA H 97 3.406 3.406 3.962 -0.556 18292 2422 1 4 . 1 1 97 97 LEU CA C 97 54.399 54.399 57.304 -2.905 18292 2423 1 4 . 1 1 97 97 LEU CB C 97 39.614 39.614 42.564 -2.950 18292 2424 1 4 . 1 1 97 97 LEU H H 97 7.299 7.299 7.965 -0.666 18292 2425 1 4 . 1 1 98 98 PHE N N 98 113.688 113.688 115.739 -2.051 18292 2426 1 4 . 1 1 98 98 PHE HA H 98 4.696 4.696 4.902 -0.206 18292 2427 1 4 . 1 1 98 98 PHE CA C 98 54.399 54.399 54.861 -0.462 18292 2428 1 4 . 1 1 98 98 PHE CB C 98 35.380 35.380 38.549 -3.169 18292 2429 1 4 . 1 1 98 98 PHE H H 98 7.795 7.795 8.204 -0.409 18292 2430 1 4 . 1 1 99 99 PRO HA H 99 4.430 4.430 4.571 -0.141 18292 2431 1 4 . 1 1 99 99 PRO C C 99 176.469 176.469 178.010 -1.541 18292 2432 1 4 . 1 1 99 99 PRO CA C 99 63.174 63.174 64.431 -1.257 18292 2433 1 4 . 1 1 99 99 PRO CB C 99 28.822 28.822 31.756 -2.934 18292 2434 1 4 . 1 1 100 100 ASP N N 100 115.482 115.482 119.169 -3.687 18292 2435 1 4 . 1 1 100 100 ASP HA H 100 4.306 4.306 4.465 -0.159 18292 2436 1 4 . 1 1 100 100 ASP C C 100 174.886 174.886 177.704 -2.818 18292 2437 1 4 . 1 1 100 100 ASP CA C 100 53.064 53.064 56.812 -3.748 18292 2438 1 4 . 1 1 100 100 ASP CB C 100 36.736 36.736 40.555 -3.819 18292 2439 1 4 . 1 1 100 100 ASP H H 100 8.897 8.897 8.533 0.364 18292 2440 1 4 . 1 1 101 101 SER N N 101 114.743 114.743 114.513 0.230 18292 2441 1 4 . 1 1 101 101 SER HA H 101 3.876 3.876 4.291 -0.415 18292 2442 1 4 . 1 1 101 101 SER C C 101 173.539 173.539 176.610 -3.071 18292 2443 1 4 . 1 1 101 101 SER CA C 101 58.183 58.183 60.828 -2.646 18292 2444 1 4 . 1 1 101 101 SER CB C 101 61.403 61.403 62.474 -1.071 18292 2445 1 4 . 1 1 101 101 SER H H 101 8.057 8.057 7.956 0.101 18292 2446 1 4 . 1 1 102 102 MET N N 102 122.103 122.103 119.506 2.597 18292 2447 1 4 . 1 1 102 102 MET HA H 102 3.340 3.340 4.644 -1.304 18292 2448 1 4 . 1 1 102 102 MET C C 102 174.488 174.488 177.324 -2.836 18292 2449 1 4 . 1 1 102 102 MET CA C 102 56.606 56.606 57.921 -1.315 18292 2450 1 4 . 1 1 102 102 MET CB C 102 31.312 31.312 32.512 -1.200 18292 2451 1 4 . 1 1 102 102 MET H H 102 7.319 7.319 7.781 -0.462 18292 2452 1 4 . 1 1 103 103 THR N N 103 104.780 104.780 110.348 -5.568 18292 2453 1 4 . 1 1 103 103 THR HA H 103 4.318 4.318 4.414 -0.096 18292 2454 1 4 . 1 1 103 103 THR C C 103 171.121 171.121 174.306 -3.185 18292 2455 1 4 . 1 1 103 103 THR CA C 103 57.203 57.203 61.657 -4.455 18292 2456 1 4 . 1 1 103 103 THR CB C 103 65.753 65.753 68.727 -2.974 18292 2457 1 4 . 1 1 103 103 THR H H 103 7.216 7.216 8.158 -0.942 18292 2458 1 4 . 1 1 104 104 ALA N N 104 125.795 125.795 124.672 1.123 18292 2459 1 4 . 1 1 104 104 ALA HA H 104 4.347 4.347 4.597 -0.250 18292 2460 1 4 . 1 1 104 104 ALA C C 104 174.370 174.370 176.723 -2.353 18292 2461 1 4 . 1 1 104 104 ALA CA C 104 50.244 50.244 52.430 -2.186 18292 2462 1 4 . 1 1 104 104 ALA CB C 104 16.077 16.077 18.914 -2.837 18292 2463 1 4 . 1 1 104 104 ALA H H 104 6.605 6.605 7.182 -0.577 18292 2464 1 4 . 1 1 105 105 THR N N 105 111.482 111.482 116.446 -4.964 18292 2465 1 4 . 1 1 105 105 THR HA H 105 4.390 4.390 4.440 -0.050 18292 2466 1 4 . 1 1 105 105 THR C C 105 171.563 171.563 173.723 -2.160 18292 2467 1 4 . 1 1 105 105 THR CA C 105 58.977 58.977 61.806 -2.829 18292 2468 1 4 . 1 1 105 105 THR CB C 105 68.537 68.537 69.447 -0.909 18292 2469 1 4 . 1 1 105 105 THR H H 105 8.698 8.698 8.461 0.237 18292 2470 1 4 . 1 1 106 106 GLN N N 106 123.003 123.003 121.546 1.457 18292 2471 1 4 . 1 1 106 106 GLN HA H 106 4.294 4.294 4.363 -0.069 18292 2472 1 4 . 1 1 106 106 GLN C C 106 172.973 172.973 174.698 -1.725 18292 2473 1 4 . 1 1 106 106 GLN CA C 106 52.710 52.710 54.782 -2.072 18292 2474 1 4 . 1 1 106 106 GLN CB C 106 27.282 27.282 28.234 -0.952 18292 2475 1 4 . 1 1 106 106 GLN H H 106 7.944 7.944 8.169 -0.225 18292 2476 1 4 . 1 1 107 107 LEU N N 107 124.765 124.765 126.291 -1.526 18292 2477 1 4 . 1 1 107 107 LEU HA H 107 4.328 4.328 4.655 -0.327 18292 2478 1 4 . 1 1 107 107 LEU C C 107 174.110 174.110 177.258 -3.148 18292 2479 1 4 . 1 1 107 107 LEU CA C 107 52.798 52.798 54.595 -1.797 18292 2480 1 4 . 1 1 107 107 LEU CB C 107 37.829 37.829 42.325 -4.497 18292 2481 1 4 . 1 1 107 107 LEU H H 107 8.390 8.390 8.599 -0.209 18292 2482 1 4 . 1 1 108 108 LEU N N 108 122.332 122.332 126.374 -4.042 18292 2483 1 4 . 1 1 108 108 LEU HA H 108 4.259 4.259 4.491 -0.232 18292 2484 1 4 . 1 1 108 108 LEU C C 108 173.870 173.870 176.553 -2.683 18292 2485 1 4 . 1 1 108 108 LEU CA C 108 52.092 52.092 55.155 -3.063 18292 2486 1 4 . 1 1 108 108 LEU CB C 108 39.253 39.253 42.099 -2.846 18292 2487 1 4 . 1 1 108 108 LEU H H 108 8.480 8.480 8.458 0.022 18292 2488 1 4 . 1 1 109 109 VAL N N 109 115.421 115.421 115.310 0.111 18292 2489 1 4 . 1 1 109 109 VAL HA H 109 4.444 4.444 4.506 -0.062 18292 2490 1 4 . 1 1 109 109 VAL CA C 109 55.640 55.640 58.727 -3.087 18292 2491 1 4 . 1 1 109 109 VAL CB C 109 31.153 31.153 32.160 -1.007 18292 2492 1 4 . 1 1 109 109 VAL H H 109 8.007 8.007 8.077 -0.070 18292 2493 1 4 . 1 1 110 110 PRO HA H 110 4.361 4.361 4.624 -0.263 18292 2494 1 4 . 1 1 110 110 PRO C C 110 173.778 173.778 176.469 -2.691 18292 2495 1 4 . 1 1 110 110 PRO CA C 110 59.737 59.737 62.284 -2.547 18292 2496 1 4 . 1 1 110 110 PRO CB C 110 29.710 29.710 32.944 -3.234 18292 2497 1 4 . 1 1 111 111 SER N N 111 120.434 120.434 115.286 5.148 18292 2498 1 4 . 1 1 111 111 SER HA H 111 4.139 4.139 4.271 -0.132 18292 2499 1 4 . 1 1 111 111 SER C C 111 172.475 172.475 174.982 -2.507 18292 2500 1 4 . 1 1 111 111 SER CA C 111 57.674 57.674 59.464 -1.790 18292 2501 1 4 . 1 1 111 111 SER CB C 111 60.580 60.580 63.944 -3.364 18292 2502 1 4 . 1 1 111 111 SER H H 111 9.945 9.945 9.091 0.854 18292 2503 1 4 . 1 1 112 112 ARG N N 112 121.013 121.013 121.074 -0.061 18292 2504 1 4 . 1 1 112 112 ARG HA H 112 4.253 4.253 4.450 -0.197 18292 2505 1 4 . 1 1 112 112 ARG C C 112 172.216 172.216 174.755 -2.539 18292 2506 1 4 . 1 1 112 112 ARG CA C 112 53.071 53.071 55.593 -2.522 18292 2507 1 4 . 1 1 112 112 ARG CB C 112 27.963 27.963 31.431 -3.468 18292 2508 1 4 . 1 1 112 112 ARG H H 112 7.861 7.861 7.818 0.043 18292 2509 1 5 . 1 1 2 2 GLN N N 2 125.719 125.719 122.686 3.033 18292 2510 1 5 . 1 1 2 2 GLN HA H 2 4.571 4.571 4.752 -0.181 18292 2511 1 5 . 1 1 2 2 GLN CA C 2 50.502 50.502 54.527 -4.025 18292 2512 1 5 . 1 1 2 2 GLN CB C 2 26.254 26.254 31.223 -4.969 18292 2513 1 5 . 1 1 2 2 GLN H H 2 8.471 8.471 8.233 0.238 18292 2514 1 5 . 1 1 3 3 PRO HA H 3 4.311 4.311 4.335 -0.024 18292 2515 1 5 . 1 1 3 3 PRO C C 3 173.634 173.634 175.904 -2.270 18292 2516 1 5 . 1 1 3 3 PRO CA C 3 60.349 60.349 63.333 -2.984 18292 2517 1 5 . 1 1 3 3 PRO CB C 3 29.678 29.678 30.925 -1.247 18292 2518 1 5 . 1 1 4 4 LEU N N 4 122.253 122.253 125.931 -3.678 18292 2519 1 5 . 1 1 4 4 LEU HA H 4 4.133 4.133 4.495 -0.362 18292 2520 1 5 . 1 1 4 4 LEU C C 4 172.946 172.946 175.608 -2.662 18292 2521 1 5 . 1 1 4 4 LEU CA C 4 51.900 51.900 54.238 -2.338 18292 2522 1 5 . 1 1 4 4 LEU CB C 4 39.711 39.711 42.448 -2.737 18292 2523 1 5 . 1 1 4 4 LEU H H 4 7.912 7.912 7.710 0.202 18292 2524 1 5 . 1 1 5 5 ALA N N 5 122.619 122.619 128.254 -5.635 18292 2525 1 5 . 1 1 5 5 ALA HA H 5 2.385 2.385 4.254 -1.869 18292 2526 1 5 . 1 1 5 5 ALA C C 5 174.164 174.164 176.803 -2.639 18292 2527 1 5 . 1 1 5 5 ALA CA C 5 49.205 49.205 52.284 -3.079 18292 2528 1 5 . 1 1 5 5 ALA CB C 5 17.058 17.058 18.579 -1.521 18292 2529 1 5 . 1 1 5 5 ALA H H 5 7.415 7.415 8.495 -1.080 18292 2530 1 5 . 1 1 6 6 THR N N 6 112.768 112.768 114.732 -1.964 18292 2531 1 5 . 1 1 6 6 THR HA H 6 4.393 4.393 4.710 -0.317 18292 2532 1 5 . 1 1 6 6 THR C C 6 168.908 168.908 175.166 -6.258 18292 2533 1 5 . 1 1 6 6 THR CA C 6 56.371 56.371 59.567 -3.196 18292 2534 1 5 . 1 1 6 6 THR CB C 6 68.874 68.874 71.136 -2.262 18292 2535 1 5 . 1 1 6 6 THR H H 6 6.601 6.601 8.049 -1.448 18292 2536 1 5 . 1 1 7 7 GLN N N 7 111.707 111.707 118.586 -6.879 18292 2537 1 5 . 1 1 7 7 GLN HA H 7 4.344 4.344 4.466 -0.122 18292 2538 1 5 . 1 1 7 7 GLN C C 7 171.068 171.068 174.410 -3.342 18292 2539 1 5 . 1 1 7 7 GLN CA C 7 53.795 53.795 55.874 -2.079 18292 2540 1 5 . 1 1 7 7 GLN CB C 7 28.252 28.252 27.482 0.770 18292 2541 1 5 . 1 1 7 7 GLN H H 7 8.547 8.547 8.875 -0.328 18292 2542 1 5 . 1 1 8 8 CYS N N 8 118.669 118.669 117.019 1.650 18292 2543 1 5 . 1 1 8 8 CYS HA H 8 5.389 5.389 4.772 0.617 18292 2544 1 5 . 1 1 8 8 CYS C C 8 171.026 171.026 173.544 -2.518 18292 2545 1 5 . 1 1 8 8 CYS CA C 8 53.652 53.652 57.572 -3.920 18292 2546 1 5 . 1 1 8 8 CYS CB C 8 29.416 29.416 31.436 -2.020 18292 2547 1 5 . 1 1 8 8 CYS H H 8 8.558 8.558 7.515 1.043 18292 2548 1 5 . 1 1 9 9 PHE N N 9 117.117 117.117 117.650 -0.533 18292 2549 1 5 . 1 1 9 9 PHE HA H 9 5.369 5.369 5.213 0.156 18292 2550 1 5 . 1 1 9 9 PHE C C 9 168.313 168.313 172.893 -4.580 18292 2551 1 5 . 1 1 9 9 PHE CA C 9 53.341 53.341 55.407 -2.066 18292 2552 1 5 . 1 1 9 9 PHE CB C 9 39.008 39.008 40.789 -1.781 18292 2553 1 5 . 1 1 9 9 PHE H H 9 9.533 9.533 8.240 1.293 18292 2554 1 5 . 1 1 10 10 GLN N N 10 118.344 118.344 115.074 3.270 18292 2555 1 5 . 1 1 10 10 GLN HA H 10 5.063 5.063 5.198 -0.135 18292 2556 1 5 . 1 1 10 10 GLN C C 10 173.280 173.280 174.193 -0.913 18292 2557 1 5 . 1 1 10 10 GLN CA C 10 50.242 50.242 54.239 -3.997 18292 2558 1 5 . 1 1 10 10 GLN CB C 10 30.263 30.263 32.870 -2.607 18292 2559 1 5 . 1 1 10 10 GLN H H 10 9.299 9.299 8.902 0.397 18292 2560 1 5 . 1 1 11 11 LEU N N 11 128.664 128.664 119.456 9.208 18292 2561 1 5 . 1 1 11 11 LEU HA H 11 5.474 5.474 5.296 0.178 18292 2562 1 5 . 1 1 11 11 LEU C C 11 173.987 173.987 177.354 -3.367 18292 2563 1 5 . 1 1 11 11 LEU CA C 11 50.153 50.153 53.247 -3.094 18292 2564 1 5 . 1 1 11 11 LEU CB C 11 41.779 41.779 44.880 -3.101 18292 2565 1 5 . 1 1 11 11 LEU H H 11 9.679 9.679 8.218 1.461 18292 2566 1 5 . 1 1 12 12 SER N N 12 115.661 115.661 113.000 2.661 18292 2567 1 5 . 1 1 12 12 SER HA H 12 4.877 4.877 4.799 0.078 18292 2568 1 5 . 1 1 12 12 SER C C 12 170.086 170.086 173.134 -3.048 18292 2569 1 5 . 1 1 12 12 SER CA C 12 54.698 54.698 58.620 -3.922 18292 2570 1 5 . 1 1 12 12 SER CB C 12 63.054 63.054 63.142 -0.088 18292 2571 1 5 . 1 1 12 12 SER H H 12 8.717 8.717 8.312 0.405 18292 2572 1 5 . 1 1 13 13 ASN N N 13 114.812 114.812 118.267 -3.455 18292 2573 1 5 . 1 1 13 13 ASN HA H 13 4.165 4.165 4.738 -0.573 18292 2574 1 5 . 1 1 13 13 ASN C C 13 171.867 171.867 175.026 -3.159 18292 2575 1 5 . 1 1 13 13 ASN CA C 13 51.269 51.269 54.049 -2.780 18292 2576 1 5 . 1 1 13 13 ASN CB C 13 34.988 34.988 40.565 -5.577 18292 2577 1 5 . 1 1 13 13 ASN H H 13 8.563 8.563 8.329 0.234 18292 2578 1 5 . 1 1 14 14 MET N N 14 113.100 113.100 118.530 -5.430 18292 2579 1 5 . 1 1 14 14 MET HA H 14 4.258 4.258 4.329 -0.071 18292 2580 1 5 . 1 1 14 14 MET C C 14 171.935 171.935 175.547 -3.612 18292 2581 1 5 . 1 1 14 14 MET CA C 14 53.020 53.020 56.510 -3.490 18292 2582 1 5 . 1 1 14 14 MET CB C 14 29.746 29.746 32.628 -2.882 18292 2583 1 5 . 1 1 14 14 MET H H 14 8.261 8.261 8.100 0.161 18292 2584 1 5 . 1 1 15 15 PHE N N 15 108.769 108.769 112.149 -3.380 18292 2585 1 5 . 1 1 15 15 PHE HA H 15 4.485 4.485 4.648 -0.163 18292 2586 1 5 . 1 1 15 15 PHE C C 15 170.024 170.024 173.233 -3.209 18292 2587 1 5 . 1 1 15 15 PHE CA C 15 53.080 53.080 56.330 -3.250 18292 2588 1 5 . 1 1 15 15 PHE CB C 15 36.300 36.300 39.770 -3.470 18292 2589 1 5 . 1 1 15 15 PHE H H 15 6.804 6.804 7.164 -0.360 18292 2590 1 5 . 1 1 16 16 ASN N N 16 117.922 117.922 117.707 0.215 18292 2591 1 5 . 1 1 16 16 ASN HA H 16 4.932 4.932 5.280 -0.348 18292 2592 1 5 . 1 1 16 16 ASN CA C 16 47.510 47.510 50.100 -2.590 18292 2593 1 5 . 1 1 16 16 ASN CB C 16 36.512 36.512 41.405 -4.893 18292 2594 1 5 . 1 1 16 16 ASN H H 16 8.681 8.681 8.211 0.470 18292 2595 1 5 . 1 1 17 17 PRO HA H 17 4.102 4.102 4.655 -0.553 18292 2596 1 5 . 1 1 17 17 PRO C C 17 174.773 174.773 176.523 -1.750 18292 2597 1 5 . 1 1 17 17 PRO CA C 17 61.933 61.933 64.528 -2.595 18292 2598 1 5 . 1 1 17 17 PRO CB C 17 29.557 29.557 32.422 -2.865 18292 2599 1 5 . 1 1 18 18 GLN N N 18 116.462 116.462 116.233 0.229 18292 2600 1 5 . 1 1 18 18 GLN HA H 18 4.146 4.146 4.397 -0.251 18292 2601 1 5 . 1 1 18 18 GLN C C 18 174.423 174.423 175.871 -1.448 18292 2602 1 5 . 1 1 18 18 GLN CA C 18 54.067 54.067 55.894 -1.827 18292 2603 1 5 . 1 1 18 18 GLN CB C 18 26.326 26.326 29.713 -3.387 18292 2604 1 5 . 1 1 18 18 GLN H H 18 7.934 7.934 8.125 -0.191 18292 2605 1 5 . 1 1 19 19 THR N N 19 112.362 112.362 112.389 -0.027 18292 2606 1 5 . 1 1 19 19 THR HA H 19 4.176 4.176 4.434 -0.258 18292 2607 1 5 . 1 1 19 19 THR C C 19 171.908 171.908 173.440 -1.532 18292 2608 1 5 . 1 1 19 19 THR CA C 19 59.509 59.509 61.063 -1.554 18292 2609 1 5 . 1 1 19 19 THR CB C 19 66.360 66.360 68.094 -1.734 18292 2610 1 5 . 1 1 19 19 THR H H 19 7.723 7.723 7.497 0.226 18292 2611 1 5 . 1 1 20 20 GLU N N 20 120.326 120.326 120.861 -0.535 18292 2612 1 5 . 1 1 20 20 GLU HA H 20 3.658 3.658 3.872 -0.213 18292 2613 1 5 . 1 1 20 20 GLU C C 20 173.311 173.311 175.643 -2.332 18292 2614 1 5 . 1 1 20 20 GLU CA C 20 53.164 53.164 56.033 -2.869 18292 2615 1 5 . 1 1 20 20 GLU CB C 20 25.837 25.837 29.299 -3.462 18292 2616 1 5 . 1 1 20 20 GLU H H 20 7.312 7.312 7.708 -0.396 18292 2617 1 5 . 1 1 21 21 GLU N N 21 120.796 120.796 120.714 0.082 18292 2618 1 5 . 1 1 21 21 GLU HA H 21 4.162 4.162 4.571 -0.409 18292 2619 1 5 . 1 1 21 21 GLU C C 21 173.747 173.747 176.071 -2.324 18292 2620 1 5 . 1 1 21 21 GLU CA C 21 53.873 53.873 55.955 -2.082 18292 2621 1 5 . 1 1 21 21 GLU CB C 21 28.445 28.445 30.299 -1.854 18292 2622 1 5 . 1 1 21 21 GLU H H 21 8.011 8.011 8.334 -0.323 18292 2623 1 5 . 1 1 22 22 GLU N N 22 121.370 121.370 120.655 0.715 18292 2624 1 5 . 1 1 22 22 GLU HA H 22 4.393 4.393 4.564 -0.171 18292 2625 1 5 . 1 1 22 22 GLU C C 22 173.536 173.536 175.176 -1.640 18292 2626 1 5 . 1 1 22 22 GLU CA C 22 52.982 52.982 55.212 -2.230 18292 2627 1 5 . 1 1 22 22 GLU CB C 22 28.012 28.012 32.427 -4.415 18292 2628 1 5 . 1 1 22 22 GLU H H 22 8.039 8.039 7.930 0.109 18292 2629 1 5 . 1 1 23 23 VAL N N 23 123.340 123.340 122.086 1.254 18292 2630 1 5 . 1 1 23 23 VAL HA H 23 3.901 3.901 4.428 -0.527 18292 2631 1 5 . 1 1 23 23 VAL C C 23 175.077 175.077 176.645 -1.568 18292 2632 1 5 . 1 1 23 23 VAL CA C 23 61.540 61.540 62.530 -0.990 18292 2633 1 5 . 1 1 23 23 VAL CB C 23 29.361 29.361 32.564 -3.203 18292 2634 1 5 . 1 1 23 23 VAL H H 23 8.447 8.447 8.294 0.153 18292 2635 1 5 . 1 1 24 24 GLY N N 24 114.476 114.476 116.320 -1.844 18292 2636 1 5 . 1 1 24 24 GLY C C 24 173.717 173.717 175.636 -1.919 18292 2637 1 5 . 1 1 24 24 GLY CA C 24 42.667 42.667 45.292 -2.625 18292 2638 1 5 . 1 1 24 24 GLY H H 24 9.087 9.087 8.811 0.276 18292 2639 1 5 . 1 1 25 25 TRP N N 25 121.382 121.382 119.490 1.892 18292 2640 1 5 . 1 1 25 25 TRP HA H 25 4.214 4.214 4.367 -0.153 18292 2641 1 5 . 1 1 25 25 TRP C C 25 174.056 174.056 175.503 -1.447 18292 2642 1 5 . 1 1 25 25 TRP CA C 25 56.093 56.093 56.692 -0.599 18292 2643 1 5 . 1 1 25 25 TRP CB C 25 25.016 25.016 28.490 -3.474 18292 2644 1 5 . 1 1 26 26 ASP N N 26 118.789 118.789 122.231 -3.442 18292 2645 1 5 . 1 1 26 26 ASP HA H 26 3.261 3.261 4.161 -0.900 18292 2646 1 5 . 1 1 26 26 ASP C C 26 174.709 174.709 177.742 -3.033 18292 2647 1 5 . 1 1 26 26 ASP CA C 26 52.705 52.705 57.039 -4.334 18292 2648 1 5 . 1 1 26 26 ASP CB C 26 34.503 34.503 40.490 -5.987 18292 2649 1 5 . 1 1 26 26 ASP H H 26 7.939 7.939 7.831 0.108 18292 2650 1 5 . 1 1 27 27 THR N N 27 118.934 118.934 115.896 3.038 18292 2651 1 5 . 1 1 27 27 THR HA H 27 3.552 3.552 4.004 -0.452 18292 2652 1 5 . 1 1 27 27 THR C C 27 172.390 172.390 176.752 -4.362 18292 2653 1 5 . 1 1 27 27 THR CA C 27 63.307 63.307 66.757 -3.450 18292 2654 1 5 . 1 1 27 27 THR CB C 27 65.331 65.331 68.645 -3.314 18292 2655 1 5 . 1 1 27 27 THR H H 27 7.103 7.103 7.657 -0.554 18292 2656 1 5 . 1 1 28 28 GLU N N 28 120.484 120.484 120.650 -0.166 18292 2657 1 5 . 1 1 28 28 GLU HA H 28 3.978 3.978 4.287 -0.309 18292 2658 1 5 . 1 1 28 28 GLU C C 28 175.447 175.447 178.653 -3.206 18292 2659 1 5 . 1 1 28 28 GLU CA C 28 56.760 56.760 58.935 -2.175 18292 2660 1 5 . 1 1 28 28 GLU CB C 28 26.418 26.418 29.484 -3.066 18292 2661 1 5 . 1 1 28 28 GLU H H 28 7.473 7.473 8.398 -0.924 18292 2662 1 5 . 1 1 29 29 ILE N N 29 116.961 116.961 120.200 -3.239 18292 2663 1 5 . 1 1 29 29 ILE HA H 29 3.773 3.773 3.850 -0.077 18292 2664 1 5 . 1 1 29 29 ILE C C 29 174.605 174.605 177.759 -3.154 18292 2665 1 5 . 1 1 29 29 ILE CA C 29 61.243 61.243 65.404 -4.161 18292 2666 1 5 . 1 1 29 29 ILE CB C 29 35.267 35.267 37.904 -2.637 18292 2667 1 5 . 1 1 29 29 ILE H H 29 7.113 7.113 7.638 -0.525 18292 2668 1 5 . 1 1 30 30 LYS N N 30 118.457 118.457 119.089 -0.632 18292 2669 1 5 . 1 1 30 30 LYS HA H 30 3.430 3.430 3.952 -0.522 18292 2670 1 5 . 1 1 30 30 LYS C C 30 174.886 174.886 178.401 -3.515 18292 2671 1 5 . 1 1 30 30 LYS CA C 30 57.872 57.872 59.451 -1.579 18292 2672 1 5 . 1 1 30 30 LYS CB C 30 29.680 29.680 31.729 -2.049 18292 2673 1 5 . 1 1 30 30 LYS H H 30 7.480 7.480 8.446 -0.966 18292 2674 1 5 . 1 1 31 31 ASP N N 31 118.630 118.630 120.166 -1.536 18292 2675 1 5 . 1 1 31 31 ASP HA H 31 4.233 4.233 4.354 -0.121 18292 2676 1 5 . 1 1 31 31 ASP C C 31 175.558 175.558 177.812 -2.254 18292 2677 1 5 . 1 1 31 31 ASP CA C 31 55.137 55.137 57.469 -2.332 18292 2678 1 5 . 1 1 31 31 ASP CB C 31 36.829 36.829 40.810 -3.981 18292 2679 1 5 . 1 1 31 31 ASP H H 31 8.334 8.334 7.778 0.556 18292 2680 1 5 . 1 1 32 32 ASP N N 32 120.576 120.576 120.109 0.467 18292 2681 1 5 . 1 1 32 32 ASP HA H 32 4.277 4.277 4.592 -0.315 18292 2682 1 5 . 1 1 32 32 ASP C C 32 176.966 176.966 179.007 -2.041 18292 2683 1 5 . 1 1 32 32 ASP CA C 32 54.829 54.829 56.946 -2.117 18292 2684 1 5 . 1 1 32 32 ASP CB C 32 37.331 37.331 40.979 -3.648 18292 2685 1 5 . 1 1 32 32 ASP H H 32 8.189 8.189 7.849 0.340 18292 2686 1 5 . 1 1 33 33 VAL N N 33 121.083 121.083 120.516 0.567 18292 2687 1 5 . 1 1 33 33 VAL HA H 33 3.444 3.444 3.835 -0.391 18292 2688 1 5 . 1 1 33 33 VAL C C 33 175.529 175.529 177.759 -2.230 18292 2689 1 5 . 1 1 33 33 VAL CA C 33 64.511 64.511 66.729 -2.218 18292 2690 1 5 . 1 1 33 33 VAL CB C 33 28.920 28.920 31.938 -3.018 18292 2691 1 5 . 1 1 33 33 VAL H H 33 8.069 8.069 7.525 0.544 18292 2692 1 5 . 1 1 34 34 ILE N N 34 122.145 122.145 120.807 1.338 18292 2693 1 5 . 1 1 34 34 ILE HA H 34 3.272 3.272 3.529 -0.257 18292 2694 1 5 . 1 1 34 34 ILE C C 34 174.723 174.723 177.913 -3.190 18292 2695 1 5 . 1 1 34 34 ILE CA C 34 63.723 63.723 66.083 -2.360 18292 2696 1 5 . 1 1 34 34 ILE CB C 34 35.949 35.949 37.497 -1.548 18292 2697 1 5 . 1 1 34 34 ILE H H 34 8.887 8.887 7.773 1.114 18292 2698 1 5 . 1 1 35 35 GLU N N 35 117.927 117.927 118.956 -1.029 18292 2699 1 5 . 1 1 35 35 GLU HA H 35 3.830 3.830 3.899 -0.069 18292 2700 1 5 . 1 1 35 35 GLU C C 35 176.747 176.747 179.126 -2.379 18292 2701 1 5 . 1 1 35 35 GLU CA C 35 57.183 57.183 60.127 -2.944 18292 2702 1 5 . 1 1 35 35 GLU CB C 35 26.969 26.969 29.144 -2.175 18292 2703 1 5 . 1 1 35 35 GLU H H 35 8.565 8.565 8.327 0.238 18292 2704 1 5 . 1 1 36 36 GLU N N 36 117.299 117.299 119.620 -2.321 18292 2705 1 5 . 1 1 36 36 GLU HA H 36 4.012 4.012 4.038 -0.026 18292 2706 1 5 . 1 1 36 36 GLU C C 36 176.604 176.604 178.953 -2.349 18292 2707 1 5 . 1 1 36 36 GLU CA C 36 56.357 56.357 59.414 -3.057 18292 2708 1 5 . 1 1 36 36 GLU CB C 36 26.612 26.612 29.582 -2.970 18292 2709 1 5 . 1 1 36 36 GLU H H 36 7.523 7.523 7.754 -0.231 18292 2710 1 5 . 1 1 37 37 CYS N N 37 116.308 116.308 116.439 -0.131 18292 2711 1 5 . 1 1 37 37 CYS HA H 37 4.141 4.141 4.226 -0.085 18292 2712 1 5 . 1 1 37 37 CYS C C 37 175.888 175.888 177.125 -1.237 18292 2713 1 5 . 1 1 37 37 CYS CA C 37 61.915 61.915 64.315 -2.400 18292 2714 1 5 . 1 1 37 37 CYS CB C 37 24.513 24.513 27.684 -3.171 18292 2715 1 5 . 1 1 37 37 CYS H H 37 8.754 8.754 8.258 0.496 18292 2716 1 5 . 1 1 38 38 ASN N N 38 121.598 121.598 118.336 3.262 18292 2717 1 5 . 1 1 38 38 ASN HA H 38 4.452 4.452 4.529 -0.077 18292 2718 1 5 . 1 1 38 38 ASN C C 38 174.340 174.340 176.698 -2.358 18292 2719 1 5 . 1 1 38 38 ASN CA C 38 52.249 52.249 55.176 -2.927 18292 2720 1 5 . 1 1 38 38 ASN CB C 38 34.488 34.488 38.192 -3.704 18292 2721 1 5 . 1 1 38 38 ASN H H 38 8.800 8.800 8.410 0.390 18292 2722 1 5 . 1 1 39 39 LYS N N 39 119.297 119.297 116.971 2.326 18292 2723 1 5 . 1 1 39 39 LYS HA H 39 4.002 4.002 3.975 0.027 18292 2724 1 5 . 1 1 39 39 LYS C C 39 174.388 174.388 176.857 -2.469 18292 2725 1 5 . 1 1 39 39 LYS CA C 39 55.239 55.239 57.585 -2.346 18292 2726 1 5 . 1 1 39 39 LYS CB C 39 29.477 29.477 32.203 -2.726 18292 2727 1 5 . 1 1 39 39 LYS H H 39 7.427 7.427 7.803 -0.376 18292 2728 1 5 . 1 1 40 40 HIS N N 40 114.421 114.421 115.157 -0.736 18292 2729 1 5 . 1 1 40 40 HIS HA H 40 4.896 4.896 4.784 0.112 18292 2730 1 5 . 1 1 40 40 HIS C C 40 171.895 171.895 176.393 -4.498 18292 2731 1 5 . 1 1 40 40 HIS CA C 40 51.758 51.758 57.030 -5.272 18292 2732 1 5 . 1 1 40 40 HIS CB C 40 28.775 28.775 32.224 -3.449 18292 2733 1 5 . 1 1 40 40 HIS H H 40 7.453 7.453 7.658 -0.205 18292 2734 1 5 . 1 1 41 41 GLY N N 41 106.587 106.587 104.621 1.966 18292 2735 1 5 . 1 1 41 41 GLY C C 41 171.376 171.376 173.591 -2.215 18292 2736 1 5 . 1 1 41 41 GLY CA C 41 42.388 42.388 45.270 -2.881 18292 2737 1 5 . 1 1 41 41 GLY H H 41 7.599 7.599 8.587 -0.988 18292 2738 1 5 . 1 1 42 42 GLY N N 42 107.066 107.066 108.486 -1.420 18292 2739 1 5 . 1 1 42 42 GLY C C 42 169.120 169.120 171.950 -2.830 18292 2740 1 5 . 1 1 42 42 GLY CA C 42 41.518 41.518 44.828 -3.310 18292 2741 1 5 . 1 1 42 42 GLY H H 42 7.942 7.942 7.928 0.014 18292 2742 1 5 . 1 1 43 43 VAL N N 43 114.640 114.640 118.543 -3.903 18292 2743 1 5 . 1 1 43 43 VAL HA H 43 4.527 4.527 4.565 -0.038 18292 2744 1 5 . 1 1 43 43 VAL C C 43 169.861 169.861 174.725 -4.864 18292 2745 1 5 . 1 1 43 43 VAL CA C 43 58.404 58.404 58.967 -0.563 18292 2746 1 5 . 1 1 43 43 VAL CB C 43 31.692 31.692 34.756 -3.064 18292 2747 1 5 . 1 1 43 43 VAL H H 43 8.679 8.679 8.060 0.619 18292 2748 1 5 . 1 1 44 44 ILE N N 44 115.792 115.792 120.881 -5.089 18292 2749 1 5 . 1 1 44 44 ILE HA H 44 4.918 4.918 4.932 -0.014 18292 2750 1 5 . 1 1 44 44 ILE C C 44 172.246 172.246 174.710 -2.464 18292 2751 1 5 . 1 1 44 44 ILE CA C 44 57.770 57.770 60.678 -2.908 18292 2752 1 5 . 1 1 44 44 ILE CB C 44 37.197 37.197 39.953 -2.756 18292 2753 1 5 . 1 1 44 44 ILE H H 44 8.587 8.587 8.638 -0.051 18292 2754 1 5 . 1 1 45 45 HIS N N 45 122.684 122.684 117.091 5.593 18292 2755 1 5 . 1 1 45 45 HIS HA H 45 4.426 4.426 4.801 -0.375 18292 2756 1 5 . 1 1 45 45 HIS C C 45 168.452 168.452 172.943 -4.491 18292 2757 1 5 . 1 1 45 45 HIS CA C 45 55.548 55.548 56.000 -0.452 18292 2758 1 5 . 1 1 45 45 HIS CB C 45 31.632 31.632 33.752 -2.120 18292 2759 1 5 . 1 1 45 45 HIS H H 45 7.791 7.791 7.598 0.193 18292 2760 1 5 . 1 1 46 46 ILE N N 46 123.917 123.917 122.956 0.961 18292 2761 1 5 . 1 1 46 46 ILE HA H 46 5.120 5.120 4.764 0.356 18292 2762 1 5 . 1 1 46 46 ILE C C 46 170.171 170.171 173.050 -2.879 18292 2763 1 5 . 1 1 46 46 ILE CA C 46 56.063 56.063 60.074 -4.011 18292 2764 1 5 . 1 1 46 46 ILE CB C 46 39.753 39.753 41.788 -2.035 18292 2765 1 5 . 1 1 46 46 ILE H H 46 7.391 7.391 8.292 -0.901 18292 2766 1 5 . 1 1 47 47 TYR N N 47 125.750 125.750 127.338 -1.588 18292 2767 1 5 . 1 1 47 47 TYR HA H 47 4.370 4.370 4.766 -0.396 18292 2768 1 5 . 1 1 47 47 TYR C C 47 171.029 171.029 173.349 -2.320 18292 2769 1 5 . 1 1 47 47 TYR CA C 47 54.800 54.800 56.691 -1.891 18292 2770 1 5 . 1 1 47 47 TYR CB C 47 39.851 39.851 40.505 -0.654 18292 2771 1 5 . 1 1 47 47 TYR H H 47 9.055 9.055 9.035 0.020 18292 2772 1 5 . 1 1 48 48 VAL N N 48 129.720 129.720 129.334 0.386 18292 2773 1 5 . 1 1 48 48 VAL HA H 48 3.869 3.869 3.855 0.014 18292 2774 1 5 . 1 1 48 48 VAL C C 48 170.949 170.949 174.797 -3.848 18292 2775 1 5 . 1 1 48 48 VAL CA C 48 59.328 59.328 62.946 -3.618 18292 2776 1 5 . 1 1 48 48 VAL CB C 48 29.022 29.022 31.252 -2.230 18292 2777 1 5 . 1 1 48 48 VAL H H 48 8.290 8.290 8.403 -0.113 18292 2778 1 5 . 1 1 49 49 ASP N N 49 125.287 125.287 129.215 -3.928 18292 2779 1 5 . 1 1 49 49 ASP HA H 49 4.703 4.703 4.440 0.263 18292 2780 1 5 . 1 1 49 49 ASP C C 49 173.851 173.851 176.289 -2.438 18292 2781 1 5 . 1 1 49 49 ASP CA C 49 50.349 50.349 52.440 -2.091 18292 2782 1 5 . 1 1 49 49 ASP CB C 49 38.139 38.139 40.602 -2.463 18292 2783 1 5 . 1 1 49 49 ASP H H 49 8.274 8.274 7.984 0.290 18292 2784 1 5 . 1 1 50 50 LYS N N 50 125.099 125.099 125.407 -0.308 18292 2785 1 5 . 1 1 50 50 LYS HA H 50 4.096 4.096 3.840 0.256 18292 2786 1 5 . 1 1 50 50 LYS C C 50 173.120 173.120 177.324 -4.204 18292 2787 1 5 . 1 1 50 50 LYS CA C 50 56.284 56.284 59.123 -2.839 18292 2788 1 5 . 1 1 50 50 LYS CB C 50 29.763 29.763 32.152 -2.389 18292 2789 1 5 . 1 1 50 50 LYS H H 50 8.090 8.090 7.761 0.329 18292 2790 1 5 . 1 1 51 51 ASN N N 51 114.422 114.422 116.005 -1.583 18292 2791 1 5 . 1 1 51 51 ASN HA H 51 4.931 4.931 4.822 0.109 18292 2792 1 5 . 1 1 51 51 ASN C C 51 172.685 172.685 175.902 -3.217 18292 2793 1 5 . 1 1 51 51 ASN CA C 51 50.744 50.744 53.662 -2.918 18292 2794 1 5 . 1 1 51 51 ASN CB C 51 37.036 37.036 38.950 -1.914 18292 2795 1 5 . 1 1 51 51 ASN H H 51 8.272 8.272 7.960 0.312 18292 2796 1 5 . 1 1 52 52 SER N N 52 115.013 115.013 115.899 -0.886 18292 2797 1 5 . 1 1 52 52 SER HA H 52 4.410 4.410 4.492 -0.082 18292 2798 1 5 . 1 1 52 52 SER C C 52 172.628 172.628 174.109 -1.481 18292 2799 1 5 . 1 1 52 52 SER CA C 52 55.035 55.035 58.984 -3.949 18292 2800 1 5 . 1 1 52 52 SER CB C 52 61.604 61.604 64.564 -2.960 18292 2801 1 5 . 1 1 52 52 SER H H 52 7.920 7.920 7.935 -0.015 18292 2802 1 5 . 1 1 53 53 ALA N N 53 129.163 129.163 121.922 7.241 18292 2803 1 5 . 1 1 53 53 ALA HA H 53 4.088 4.088 4.533 -0.445 18292 2804 1 5 . 1 1 53 53 ALA C C 53 175.951 175.951 177.387 -1.436 18292 2805 1 5 . 1 1 53 53 ALA CA C 53 51.409 51.409 52.549 -1.140 18292 2806 1 5 . 1 1 53 53 ALA CB C 53 15.878 15.878 20.393 -4.515 18292 2807 1 5 . 1 1 53 53 ALA H H 53 8.837 8.837 8.604 0.233 18292 2808 1 5 . 1 1 54 54 GLN N N 54 113.081 113.081 117.933 -4.852 18292 2809 1 5 . 1 1 54 54 GLN HA H 54 4.202 4.202 4.399 -0.197 18292 2810 1 5 . 1 1 54 54 GLN C C 54 173.388 173.388 174.933 -1.545 18292 2811 1 5 . 1 1 54 54 GLN CA C 54 52.993 52.993 54.464 -1.471 18292 2812 1 5 . 1 1 54 54 GLN CB C 54 26.360 26.360 30.298 -3.938 18292 2813 1 5 . 1 1 54 54 GLN H H 54 7.836 7.836 8.430 -0.594 18292 2814 1 5 . 1 1 55 55 GLY N N 55 108.967 108.967 107.593 1.374 18292 2815 1 5 . 1 1 55 55 GLY CA C 55 45.087 45.087 44.686 0.401 18292 2816 1 5 . 1 1 55 55 GLY H H 55 7.191 7.191 8.361 -1.170 18292 2817 1 5 . 1 1 56 56 ASN N N 56 114.505 114.505 118.200 -3.695 18292 2818 1 5 . 1 1 56 56 ASN HA H 56 5.520 5.520 5.201 0.319 18292 2819 1 5 . 1 1 56 56 ASN C C 56 172.166 172.166 173.924 -1.758 18292 2820 1 5 . 1 1 56 56 ASN CA C 56 50.462 50.462 53.092 -2.630 18292 2821 1 5 . 1 1 56 56 ASN CB C 56 38.400 38.400 41.423 -3.023 18292 2822 1 5 . 1 1 56 56 ASN H H 56 7.614 7.614 7.611 0.003 18292 2823 1 5 . 1 1 57 57 VAL N N 57 119.859 119.859 120.191 -0.332 18292 2824 1 5 . 1 1 57 57 VAL HA H 57 4.692 4.692 4.579 0.113 18292 2825 1 5 . 1 1 57 57 VAL C C 57 170.667 170.667 173.817 -3.150 18292 2826 1 5 . 1 1 57 57 VAL CA C 57 58.163 58.163 59.878 -1.715 18292 2827 1 5 . 1 1 57 57 VAL CB C 57 33.663 33.663 35.544 -1.881 18292 2828 1 5 . 1 1 57 57 VAL H H 57 8.354 8.354 7.721 0.633 18292 2829 1 5 . 1 1 58 58 TYR N N 58 128.478 128.478 126.894 1.584 18292 2830 1 5 . 1 1 58 58 TYR HA H 58 4.937 4.937 5.083 -0.146 18292 2831 1 5 . 1 1 58 58 TYR C C 58 170.605 170.605 174.425 -3.820 18292 2832 1 5 . 1 1 58 58 TYR CA C 58 55.354 55.354 57.836 -2.482 18292 2833 1 5 . 1 1 58 58 TYR CB C 58 37.775 37.775 41.127 -3.352 18292 2834 1 5 . 1 1 58 58 TYR H H 58 9.275 9.275 8.954 0.321 18292 2835 1 5 . 1 1 59 59 VAL N N 59 123.117 123.117 119.767 3.350 18292 2836 1 5 . 1 1 59 59 VAL HA H 59 4.462 4.462 4.699 -0.237 18292 2837 1 5 . 1 1 59 59 VAL C C 59 170.875 170.875 173.535 -2.660 18292 2838 1 5 . 1 1 59 59 VAL CA C 59 58.527 58.527 60.086 -1.559 18292 2839 1 5 . 1 1 59 59 VAL CB C 59 32.611 32.611 35.348 -2.737 18292 2840 1 5 . 1 1 59 59 VAL H H 59 8.860 8.860 8.641 0.219 18292 2841 1 5 . 1 1 60 60 LYS N N 60 123.266 123.266 128.375 -5.109 18292 2842 1 5 . 1 1 60 60 LYS HA H 60 4.745 4.745 4.827 -0.082 18292 2843 1 5 . 1 1 60 60 LYS C C 60 173.399 173.399 174.932 -1.533 18292 2844 1 5 . 1 1 60 60 LYS CA C 60 52.207 52.207 55.448 -3.241 18292 2845 1 5 . 1 1 60 60 LYS CB C 60 34.244 34.244 35.921 -1.677 18292 2846 1 5 . 1 1 60 60 LYS H H 60 8.668 8.668 8.769 -0.101 18292 2847 1 5 . 1 1 61 61 CYS N N 61 125.267 125.267 125.873 -0.606 18292 2848 1 5 . 1 1 61 61 CYS HA H 61 4.740 4.740 4.928 -0.188 18292 2849 1 5 . 1 1 61 61 CYS CA C 61 56.393 56.393 55.973 0.420 18292 2850 1 5 . 1 1 61 61 CYS CB C 61 27.416 27.416 28.873 -1.457 18292 2851 1 5 . 1 1 61 61 CYS H H 61 9.207 9.207 8.950 0.257 18292 2852 1 5 . 1 1 62 62 PRO HA H 62 4.266 4.266 4.460 -0.194 18292 2853 1 5 . 1 1 62 62 PRO C C 62 171.443 171.443 176.065 -4.622 18292 2854 1 5 . 1 1 62 62 PRO CA C 62 61.167 61.167 64.062 -2.895 18292 2855 1 5 . 1 1 62 62 PRO CB C 62 29.450 29.450 32.203 -2.753 18292 2856 1 5 . 1 1 63 63 SER N N 63 108.558 108.558 111.741 -3.183 18292 2857 1 5 . 1 1 63 63 SER HA H 63 4.606 4.606 4.745 -0.139 18292 2858 1 5 . 1 1 63 63 SER C C 63 171.147 171.147 174.529 -3.382 18292 2859 1 5 . 1 1 63 63 SER CA C 63 53.259 53.259 56.490 -3.231 18292 2860 1 5 . 1 1 63 63 SER CB C 63 63.378 63.378 66.559 -3.181 18292 2861 1 5 . 1 1 63 63 SER H H 63 6.990 6.990 7.615 -0.625 18292 2862 1 5 . 1 1 64 64 ILE N N 64 122.885 122.885 122.585 0.300 18292 2863 1 5 . 1 1 64 64 ILE HA H 64 3.462 3.462 3.890 -0.428 18292 2864 1 5 . 1 1 64 64 ILE C C 64 174.204 174.204 177.641 -3.437 18292 2865 1 5 . 1 1 64 64 ILE CA C 64 62.955 62.955 64.874 -1.919 18292 2866 1 5 . 1 1 64 64 ILE CB C 64 35.297 35.297 37.727 -2.429 18292 2867 1 5 . 1 1 64 64 ILE H H 64 8.786 8.786 9.048 -0.262 18292 2868 1 5 . 1 1 65 65 ALA N N 65 120.653 120.653 123.210 -2.557 18292 2869 1 5 . 1 1 65 65 ALA HA H 65 3.890 3.890 3.976 -0.086 18292 2870 1 5 . 1 1 65 65 ALA C C 65 177.926 177.926 179.064 -1.138 18292 2871 1 5 . 1 1 65 65 ALA CA C 65 52.772 52.772 55.220 -2.448 18292 2872 1 5 . 1 1 65 65 ALA CB C 65 15.552 15.552 17.825 -2.273 18292 2873 1 5 . 1 1 65 65 ALA H H 65 8.287 8.287 8.495 -0.208 18292 2874 1 5 . 1 1 66 66 ALA N N 66 119.802 119.802 120.977 -1.175 18292 2875 1 5 . 1 1 66 66 ALA HA H 66 4.344 4.344 3.984 0.360 18292 2876 1 5 . 1 1 66 66 ALA C C 66 176.063 176.063 179.164 -3.101 18292 2877 1 5 . 1 1 66 66 ALA CA C 66 52.108 52.108 54.905 -2.797 18292 2878 1 5 . 1 1 66 66 ALA CB C 66 16.106 16.106 18.447 -2.341 18292 2879 1 5 . 1 1 66 66 ALA H H 66 7.952 7.952 7.597 0.355 18292 2880 1 5 . 1 1 67 67 ALA N N 67 121.626 121.626 122.254 -0.628 18292 2881 1 5 . 1 1 67 67 ALA HA H 67 4.398 4.398 4.039 0.359 18292 2882 1 5 . 1 1 67 67 ALA C C 67 175.824 175.824 179.289 -3.465 18292 2883 1 5 . 1 1 67 67 ALA CA C 67 53.135 53.135 54.651 -1.516 18292 2884 1 5 . 1 1 67 67 ALA CB C 67 17.020 17.020 18.325 -1.305 18292 2885 1 5 . 1 1 67 67 ALA H H 67 7.332 7.332 7.386 -0.054 18292 2886 1 5 . 1 1 68 68 ILE N N 68 117.793 117.793 120.220 -2.427 18292 2887 1 5 . 1 1 68 68 ILE HA H 68 4.185 4.185 3.627 0.558 18292 2888 1 5 . 1 1 68 68 ILE C C 68 176.163 176.163 178.025 -1.862 18292 2889 1 5 . 1 1 68 68 ILE CA C 68 61.323 61.323 65.486 -4.163 18292 2890 1 5 . 1 1 68 68 ILE CB C 68 36.657 36.657 37.878 -1.221 18292 2891 1 5 . 1 1 68 68 ILE H H 68 8.655 8.655 8.495 0.160 18292 2892 1 5 . 1 1 69 69 ALA N N 69 119.051 119.051 120.235 -1.184 18292 2893 1 5 . 1 1 69 69 ALA HA H 69 3.836 3.836 3.877 -0.041 18292 2894 1 5 . 1 1 69 69 ALA C C 69 177.325 177.325 179.332 -2.007 18292 2895 1 5 . 1 1 69 69 ALA CA C 69 51.781 51.781 54.929 -3.148 18292 2896 1 5 . 1 1 69 69 ALA CB C 69 15.767 15.767 17.936 -2.169 18292 2897 1 5 . 1 1 69 69 ALA H H 69 7.377 7.377 8.038 -0.661 18292 2898 1 5 . 1 1 70 70 ALA N N 70 121.378 121.378 122.425 -1.047 18292 2899 1 5 . 1 1 70 70 ALA HA H 70 3.544 3.544 3.941 -0.397 18292 2900 1 5 . 1 1 70 70 ALA C C 70 176.012 176.012 179.028 -3.016 18292 2901 1 5 . 1 1 70 70 ALA CA C 70 52.966 52.966 54.475 -1.509 18292 2902 1 5 . 1 1 70 70 ALA CB C 70 16.740 16.740 18.304 -1.564 18292 2903 1 5 . 1 1 70 70 ALA H H 70 7.798 7.798 7.594 0.204 18292 2904 1 5 . 1 1 71 71 VAL N N 71 119.944 119.944 118.556 1.388 18292 2905 1 5 . 1 1 71 71 VAL HA H 71 2.524 2.524 3.186 -0.662 18292 2906 1 5 . 1 1 71 71 VAL C C 71 175.408 175.408 178.230 -2.822 18292 2907 1 5 . 1 1 71 71 VAL CA C 71 64.993 64.993 66.483 -1.490 18292 2908 1 5 . 1 1 71 71 VAL CB C 71 28.184 28.184 30.760 -2.576 18292 2909 1 5 . 1 1 71 71 VAL H H 71 8.662 8.662 8.089 0.573 18292 2910 1 5 . 1 1 72 72 ASN N N 72 114.981 114.981 118.110 -3.129 18292 2911 1 5 . 1 1 72 72 ASN HA H 72 4.244 4.244 4.374 -0.130 18292 2912 1 5 . 1 1 72 72 ASN C C 72 174.490 174.490 176.478 -1.988 18292 2913 1 5 . 1 1 72 72 ASN CA C 72 52.776 52.776 55.793 -3.017 18292 2914 1 5 . 1 1 72 72 ASN CB C 72 35.394 35.394 37.942 -2.548 18292 2915 1 5 . 1 1 72 72 ASN H H 72 8.061 8.061 8.480 -0.419 18292 2916 1 5 . 1 1 73 73 ALA N N 73 120.308 120.308 120.488 -0.180 18292 2917 1 5 . 1 1 73 73 ALA HA H 73 4.162 4.162 4.029 0.133 18292 2918 1 5 . 1 1 73 73 ALA C C 73 176.245 176.245 178.399 -2.154 18292 2919 1 5 . 1 1 73 73 ALA CA C 73 51.058 51.058 53.964 -2.906 18292 2920 1 5 . 1 1 73 73 ALA CB C 73 17.457 17.457 18.953 -1.496 18292 2921 1 5 . 1 1 73 73 ALA H H 73 7.230 7.230 7.507 -0.277 18292 2922 1 5 . 1 1 74 74 LEU N N 74 118.156 118.156 115.880 2.276 18292 2923 1 5 . 1 1 74 74 LEU HA H 74 4.021 4.021 4.443 -0.422 18292 2924 1 5 . 1 1 74 74 LEU C C 74 173.863 173.863 177.184 -3.321 18292 2925 1 5 . 1 1 74 74 LEU CA C 74 53.853 53.853 55.894 -2.041 18292 2926 1 5 . 1 1 74 74 LEU CB C 74 41.552 41.552 43.120 -1.568 18292 2927 1 5 . 1 1 74 74 LEU H H 74 7.856 7.856 7.653 0.203 18292 2928 1 5 . 1 1 75 75 HIS N N 75 117.126 117.126 118.465 -1.339 18292 2929 1 5 . 1 1 75 75 HIS HA H 75 3.830 3.830 4.303 -0.473 18292 2930 1 5 . 1 1 75 75 HIS C C 75 174.851 174.851 176.303 -1.452 18292 2931 1 5 . 1 1 75 75 HIS CA C 75 56.621 56.621 58.073 -1.452 18292 2932 1 5 . 1 1 75 75 HIS CB C 75 28.299 28.299 29.549 -1.250 18292 2933 1 5 . 1 1 75 75 HIS H H 75 8.434 8.434 7.981 0.453 18292 2934 1 5 . 1 1 76 76 GLY N N 76 116.761 116.761 116.204 0.557 18292 2935 1 5 . 1 1 76 76 GLY CA C 76 42.221 42.221 44.560 -2.339 18292 2936 1 5 . 1 1 76 76 GLY H H 76 8.418 8.418 8.802 -0.384 18292 2937 1 5 . 1 1 77 77 ARG N N 77 120.430 120.430 120.042 0.388 18292 2938 1 5 . 1 1 77 77 ARG HA H 77 4.248 4.248 4.346 -0.098 18292 2939 1 5 . 1 1 77 77 ARG C C 77 173.536 173.536 174.889 -1.353 18292 2940 1 5 . 1 1 77 77 ARG CA C 77 53.029 53.029 55.582 -2.553 18292 2941 1 5 . 1 1 77 77 ARG CB C 77 29.058 29.058 31.760 -2.702 18292 2942 1 5 . 1 1 77 77 ARG H H 77 7.385 7.385 7.863 -0.478 18292 2943 1 5 . 1 1 78 78 TRP N N 78 122.989 122.989 120.172 2.817 18292 2944 1 5 . 1 1 78 78 TRP HA H 78 4.941 4.941 5.108 -0.167 18292 2945 1 5 . 1 1 78 78 TRP C C 78 173.888 173.888 176.329 -2.441 18292 2946 1 5 . 1 1 78 78 TRP CA C 78 54.234 54.234 56.721 -2.487 18292 2947 1 5 . 1 1 78 78 TRP CB C 78 26.923 26.923 30.173 -3.250 18292 2948 1 5 . 1 1 78 78 TRP H H 78 8.463 8.463 8.404 0.059 18292 2949 1 5 . 1 1 79 79 PHE N N 79 126.899 126.899 123.347 3.552 18292 2950 1 5 . 1 1 79 79 PHE HA H 79 4.637 4.637 4.478 0.159 18292 2951 1 5 . 1 1 79 79 PHE C C 79 171.696 171.696 177.939 -6.243 18292 2952 1 5 . 1 1 79 79 PHE CA C 79 54.624 54.624 57.986 -3.362 18292 2953 1 5 . 1 1 79 79 PHE CB C 79 39.577 39.577 41.239 -1.662 18292 2954 1 5 . 1 1 79 79 PHE H H 79 9.500 9.500 9.057 0.443 18292 2955 1 5 . 1 1 80 80 ALA N N 80 130.285 130.285 123.927 6.358 18292 2956 1 5 . 1 1 80 80 ALA HA H 80 3.705 3.705 4.124 -0.419 18292 2957 1 5 . 1 1 80 80 ALA C C 80 174.560 174.560 177.668 -3.108 18292 2958 1 5 . 1 1 80 80 ALA CA C 80 49.993 49.993 54.227 -4.234 18292 2959 1 5 . 1 1 80 80 ALA CB C 80 14.479 14.479 18.475 -3.996 18292 2960 1 5 . 1 1 80 80 ALA H H 80 8.840 8.840 8.591 0.249 18292 2961 1 5 . 1 1 81 81 GLY N N 81 102.771 102.771 103.724 -0.953 18292 2962 1 5 . 1 1 81 81 GLY C C 81 171.087 171.087 173.338 -2.251 18292 2963 1 5 . 1 1 81 81 GLY CA C 81 42.891 42.891 45.273 -2.382 18292 2964 1 5 . 1 1 81 81 GLY H H 81 8.268 8.268 8.395 -0.127 18292 2965 1 5 . 1 1 82 82 LYS N N 82 120.307 120.307 118.664 1.643 18292 2966 1 5 . 1 1 82 82 LYS HA H 82 4.469 4.469 4.828 -0.359 18292 2967 1 5 . 1 1 82 82 LYS C C 82 170.688 170.688 174.238 -3.550 18292 2968 1 5 . 1 1 82 82 LYS CA C 82 52.029 52.029 54.653 -2.624 18292 2969 1 5 . 1 1 82 82 LYS CB C 82 32.776 32.776 34.556 -1.780 18292 2970 1 5 . 1 1 82 82 LYS H H 82 7.791 7.791 7.979 -0.188 18292 2971 1 5 . 1 1 83 83 MET N N 83 121.212 121.212 119.764 1.448 18292 2972 1 5 . 1 1 83 83 MET HA H 83 3.871 3.871 4.068 -0.197 18292 2973 1 5 . 1 1 83 83 MET C C 83 173.474 173.474 175.504 -2.030 18292 2974 1 5 . 1 1 83 83 MET CA C 83 51.968 51.968 55.739 -3.771 18292 2975 1 5 . 1 1 83 83 MET CB C 83 30.275 30.275 33.300 -3.025 18292 2976 1 5 . 1 1 83 83 MET H H 83 7.953 7.953 8.445 -0.492 18292 2977 1 5 . 1 1 84 84 ILE N N 84 128.512 128.512 119.650 8.862 18292 2978 1 5 . 1 1 84 84 ILE HA H 84 4.230 4.230 4.512 -0.282 18292 2979 1 5 . 1 1 84 84 ILE C C 84 173.459 173.459 174.796 -1.337 18292 2980 1 5 . 1 1 84 84 ILE CA C 84 58.832 58.832 58.815 0.017 18292 2981 1 5 . 1 1 84 84 ILE CB C 84 36.088 36.088 40.164 -4.076 18292 2982 1 5 . 1 1 84 84 ILE H H 84 8.683 8.683 8.628 0.055 18292 2983 1 5 . 1 1 85 85 THR N N 85 115.456 115.456 117.479 -2.023 18292 2984 1 5 . 1 1 85 85 THR HA H 85 4.825 4.825 5.318 -0.493 18292 2985 1 5 . 1 1 85 85 THR CA C 85 56.520 56.520 59.359 -2.839 18292 2986 1 5 . 1 1 85 85 THR CB C 85 68.803 68.803 72.036 -3.233 18292 2987 1 5 . 1 1 85 85 THR H H 85 7.318 7.318 8.714 -1.396 18292 2988 1 5 . 1 1 86 86 ALA N N 86 128.004 128.004 124.871 3.133 18292 2989 1 5 . 1 1 86 86 ALA HA H 86 5.542 5.542 5.385 0.157 18292 2990 1 5 . 1 1 86 86 ALA C C 86 173.070 173.070 175.261 -2.191 18292 2991 1 5 . 1 1 86 86 ALA CA C 86 47.491 47.491 50.118 -2.627 18292 2992 1 5 . 1 1 86 86 ALA CB C 86 22.241 22.241 22.055 0.186 18292 2993 1 5 . 1 1 86 86 ALA H H 86 10.712 10.712 7.995 2.717 18292 2994 1 5 . 1 1 87 87 ALA N N 87 122.902 122.902 120.590 2.312 18292 2995 1 5 . 1 1 87 87 ALA HA H 87 4.499 4.499 4.736 -0.237 18292 2996 1 5 . 1 1 87 87 ALA C C 87 173.781 173.781 174.785 -1.004 18292 2997 1 5 . 1 1 87 87 ALA CA C 87 47.989 47.989 51.717 -3.728 18292 2998 1 5 . 1 1 87 87 ALA CB C 87 19.981 19.981 21.351 -1.369 18292 2999 1 5 . 1 1 87 87 ALA H H 87 8.413 8.413 8.299 0.114 18292 3000 1 5 . 1 1 88 88 TYR N N 88 120.267 120.267 119.245 1.022 18292 3001 1 5 . 1 1 88 88 TYR HA H 88 4.723 4.723 5.007 -0.284 18292 3002 1 5 . 1 1 88 88 TYR C C 88 173.615 173.615 176.713 -3.098 18292 3003 1 5 . 1 1 88 88 TYR CA C 88 57.556 57.556 57.534 0.022 18292 3004 1 5 . 1 1 88 88 TYR CB C 88 36.474 36.474 39.584 -3.110 18292 3005 1 5 . 1 1 88 88 TYR H H 88 8.311 8.311 8.695 -0.384 18292 3006 1 5 . 1 1 89 89 VAL N N 89 123.298 123.298 115.964 7.334 18292 3007 1 5 . 1 1 89 89 VAL HA H 89 4.696 4.696 4.837 -0.141 18292 3008 1 5 . 1 1 89 89 VAL CA C 89 55.899 55.899 58.271 -2.372 18292 3009 1 5 . 1 1 89 89 VAL CB C 89 33.445 33.445 33.450 -0.006 18292 3010 1 5 . 1 1 89 89 VAL H H 89 8.420 8.420 8.554 -0.134 18292 3011 1 5 . 1 1 90 90 PRO HA H 90 4.450 4.450 4.711 -0.261 18292 3012 1 5 . 1 1 90 90 PRO CA C 90 60.310 60.310 62.938 -2.628 18292 3013 1 5 . 1 1 90 90 PRO CB C 90 30.489 30.489 31.800 -1.311 18292 3014 1 5 . 1 1 91 91 LEU N N 91 126.649 126.649 127.698 -1.049 18292 3015 1 5 . 1 1 91 91 LEU HA H 91 3.975 3.975 4.202 -0.227 18292 3016 1 5 . 1 1 91 91 LEU CA C 91 56.691 56.691 59.566 -2.875 18292 3017 1 5 . 1 1 91 91 LEU CB C 91 37.139 37.139 39.848 -2.709 18292 3018 1 5 . 1 1 91 91 LEU H H 91 8.997 8.997 8.960 0.037 18292 3019 1 5 . 1 1 92 92 PRO HA H 92 4.211 4.211 4.462 -0.251 18292 3020 1 5 . 1 1 92 92 PRO C C 92 177.175 177.175 178.894 -1.719 18292 3021 1 5 . 1 1 92 92 PRO CA C 92 63.104 63.104 66.103 -2.999 18292 3022 1 5 . 1 1 92 92 PRO CB C 92 27.973 27.973 31.180 -3.207 18292 3023 1 5 . 1 1 93 93 THR N N 93 112.839 112.839 115.896 -3.057 18292 3024 1 5 . 1 1 93 93 THR HA H 93 3.827 3.827 4.114 -0.287 18292 3025 1 5 . 1 1 93 93 THR C C 93 172.669 172.669 176.451 -3.782 18292 3026 1 5 . 1 1 93 93 THR CA C 93 63.096 63.096 66.596 -3.500 18292 3027 1 5 . 1 1 93 93 THR CB C 93 65.968 65.968 68.661 -2.693 18292 3028 1 5 . 1 1 93 93 THR H H 93 6.528 6.528 7.645 -1.117 18292 3029 1 5 . 1 1 94 94 TYR N N 94 125.195 125.195 123.949 1.246 18292 3030 1 5 . 1 1 94 94 TYR HA H 94 3.515 3.515 4.007 -0.492 18292 3031 1 5 . 1 1 94 94 TYR C C 94 174.953 174.953 177.546 -2.593 18292 3032 1 5 . 1 1 94 94 TYR CA C 94 60.012 60.012 62.383 -2.372 18292 3033 1 5 . 1 1 94 94 TYR CB C 94 37.588 37.588 38.289 -0.701 18292 3034 1 5 . 1 1 94 94 TYR H H 94 8.263 8.263 8.246 0.017 18292 3035 1 5 . 1 1 95 95 HIS N N 95 114.994 114.994 117.456 -2.462 18292 3036 1 5 . 1 1 95 95 HIS HA H 95 4.187 4.187 4.503 -0.316 18292 3037 1 5 . 1 1 95 95 HIS C C 95 173.780 173.780 176.982 -3.202 18292 3038 1 5 . 1 1 95 95 HIS CA C 95 53.471 53.471 59.340 -5.869 18292 3039 1 5 . 1 1 95 95 HIS CB C 95 26.528 26.528 29.688 -3.160 18292 3040 1 5 . 1 1 95 95 HIS H H 95 8.529 8.529 8.335 0.194 18292 3041 1 5 . 1 1 96 96 ASN N N 96 116.599 116.599 117.416 -0.817 18292 3042 1 5 . 1 1 96 96 ASN HA H 96 4.315 4.315 4.532 -0.217 18292 3043 1 5 . 1 1 96 96 ASN C C 96 175.849 175.849 177.011 -1.162 18292 3044 1 5 . 1 1 96 96 ASN CA C 96 52.814 52.814 55.198 -2.384 18292 3045 1 5 . 1 1 96 96 ASN CB C 96 36.453 36.453 38.721 -2.268 18292 3046 1 5 . 1 1 96 96 ASN H H 96 7.343 7.343 7.833 -0.490 18292 3047 1 5 . 1 1 97 97 LEU N N 97 119.316 119.316 118.557 0.759 18292 3048 1 5 . 1 1 97 97 LEU HA H 97 3.406 3.406 3.735 -0.329 18292 3049 1 5 . 1 1 97 97 LEU CA C 97 54.399 54.399 56.911 -2.512 18292 3050 1 5 . 1 1 97 97 LEU CB C 97 39.614 39.614 42.034 -2.420 18292 3051 1 5 . 1 1 97 97 LEU H H 97 7.299 7.299 7.678 -0.379 18292 3052 1 5 . 1 1 98 98 PHE N N 98 113.688 113.688 115.587 -1.899 18292 3053 1 5 . 1 1 98 98 PHE HA H 98 4.696 4.696 4.794 -0.098 18292 3054 1 5 . 1 1 98 98 PHE CA C 98 54.399 54.399 54.458 -0.059 18292 3055 1 5 . 1 1 98 98 PHE CB C 98 35.380 35.380 38.380 -3.001 18292 3056 1 5 . 1 1 98 98 PHE H H 98 7.795 7.795 8.084 -0.289 18292 3057 1 5 . 1 1 99 99 PRO HA H 99 4.430 4.430 4.493 -0.063 18292 3058 1 5 . 1 1 99 99 PRO C C 99 176.469 176.469 178.583 -2.114 18292 3059 1 5 . 1 1 99 99 PRO CA C 99 63.174 63.174 65.193 -2.019 18292 3060 1 5 . 1 1 99 99 PRO CB C 99 28.822 28.822 32.513 -3.691 18292 3061 1 5 . 1 1 100 100 ASP N N 100 115.482 115.482 118.680 -3.198 18292 3062 1 5 . 1 1 100 100 ASP HA H 100 4.306 4.306 4.307 -0.001 18292 3063 1 5 . 1 1 100 100 ASP C C 100 174.886 174.886 178.483 -3.597 18292 3064 1 5 . 1 1 100 100 ASP CA C 100 53.064 53.064 58.098 -5.034 18292 3065 1 5 . 1 1 100 100 ASP CB C 100 36.736 36.736 39.912 -3.176 18292 3066 1 5 . 1 1 100 100 ASP H H 100 8.897 8.897 8.877 0.020 18292 3067 1 5 . 1 1 101 101 SER N N 101 114.743 114.743 112.269 2.474 18292 3068 1 5 . 1 1 101 101 SER HA H 101 3.876 3.876 4.065 -0.189 18292 3069 1 5 . 1 1 101 101 SER C C 101 173.539 173.539 175.566 -2.027 18292 3070 1 5 . 1 1 101 101 SER CA C 101 58.183 58.183 60.336 -2.153 18292 3071 1 5 . 1 1 101 101 SER CB C 101 61.403 61.403 62.139 -0.736 18292 3072 1 5 . 1 1 101 101 SER H H 101 8.057 8.057 8.374 -0.317 18292 3073 1 5 . 1 1 102 102 MET N N 102 122.103 122.103 115.944 6.159 18292 3074 1 5 . 1 1 102 102 MET HA H 102 3.340 3.340 4.418 -1.078 18292 3075 1 5 . 1 1 102 102 MET C C 102 174.488 174.488 177.123 -2.635 18292 3076 1 5 . 1 1 102 102 MET CA C 102 56.606 56.606 58.041 -1.435 18292 3077 1 5 . 1 1 102 102 MET CB C 102 31.312 31.312 33.376 -2.064 18292 3078 1 5 . 1 1 102 102 MET H H 102 7.319 7.319 8.117 -0.798 18292 3079 1 5 . 1 1 103 103 THR N N 103 104.780 104.780 110.487 -5.707 18292 3080 1 5 . 1 1 103 103 THR HA H 103 4.318 4.318 4.424 -0.106 18292 3081 1 5 . 1 1 103 103 THR C C 103 171.121 171.121 174.802 -3.681 18292 3082 1 5 . 1 1 103 103 THR CA C 103 57.203 57.203 61.336 -4.133 18292 3083 1 5 . 1 1 103 103 THR CB C 103 65.753 65.753 69.569 -3.816 18292 3084 1 5 . 1 1 103 103 THR H H 103 7.216 7.216 7.750 -0.534 18292 3085 1 5 . 1 1 104 104 ALA N N 104 125.795 125.795 124.760 1.035 18292 3086 1 5 . 1 1 104 104 ALA HA H 104 4.347 4.347 4.304 0.043 18292 3087 1 5 . 1 1 104 104 ALA C C 104 174.370 174.370 176.905 -2.535 18292 3088 1 5 . 1 1 104 104 ALA CA C 104 50.244 50.244 52.981 -2.737 18292 3089 1 5 . 1 1 104 104 ALA CB C 104 16.077 16.077 18.379 -2.302 18292 3090 1 5 . 1 1 104 104 ALA H H 104 6.605 6.605 7.412 -0.807 18292 3091 1 5 . 1 1 105 105 THR N N 105 111.482 111.482 116.915 -5.433 18292 3092 1 5 . 1 1 105 105 THR HA H 105 4.390 4.390 4.349 0.041 18292 3093 1 5 . 1 1 105 105 THR C C 105 171.563 171.563 174.833 -3.270 18292 3094 1 5 . 1 1 105 105 THR CA C 105 58.977 58.977 62.291 -3.314 18292 3095 1 5 . 1 1 105 105 THR CB C 105 68.537 68.537 69.366 -0.829 18292 3096 1 5 . 1 1 105 105 THR H H 105 8.698 8.698 8.523 0.175 18292 3097 1 5 . 1 1 106 106 GLN N N 106 123.003 123.003 121.943 1.060 18292 3098 1 5 . 1 1 106 106 GLN HA H 106 4.294 4.294 4.279 0.015 18292 3099 1 5 . 1 1 106 106 GLN C C 106 172.973 172.973 175.417 -2.444 18292 3100 1 5 . 1 1 106 106 GLN CA C 106 52.710 52.710 55.645 -2.935 18292 3101 1 5 . 1 1 106 106 GLN CB C 106 27.282 27.282 28.907 -1.625 18292 3102 1 5 . 1 1 106 106 GLN H H 106 7.944 7.944 8.026 -0.082 18292 3103 1 5 . 1 1 107 107 LEU N N 107 124.765 124.765 124.815 -0.050 18292 3104 1 5 . 1 1 107 107 LEU HA H 107 4.328 4.328 4.310 0.018 18292 3105 1 5 . 1 1 107 107 LEU C C 107 174.110 174.110 177.061 -2.951 18292 3106 1 5 . 1 1 107 107 LEU CA C 107 52.798 52.798 55.389 -2.591 18292 3107 1 5 . 1 1 107 107 LEU CB C 107 37.829 37.829 42.697 -4.867 18292 3108 1 5 . 1 1 107 107 LEU H H 107 8.390 8.390 8.487 -0.097 18292 3109 1 5 . 1 1 108 108 LEU N N 108 122.332 122.332 122.015 0.317 18292 3110 1 5 . 1 1 108 108 LEU HA H 108 4.259 4.259 4.730 -0.471 18292 3111 1 5 . 1 1 108 108 LEU C C 108 173.870 173.870 175.487 -1.617 18292 3112 1 5 . 1 1 108 108 LEU CA C 108 52.092 52.092 54.016 -1.924 18292 3113 1 5 . 1 1 108 108 LEU CB C 108 39.253 39.253 43.734 -4.481 18292 3114 1 5 . 1 1 108 108 LEU H H 108 8.480 8.480 8.679 -0.199 18292 3115 1 5 . 1 1 109 109 VAL N N 109 115.421 115.421 116.388 -0.967 18292 3116 1 5 . 1 1 109 109 VAL HA H 109 4.444 4.444 4.494 -0.050 18292 3117 1 5 . 1 1 109 109 VAL CA C 109 55.640 55.640 58.297 -2.657 18292 3118 1 5 . 1 1 109 109 VAL CB C 109 31.153 31.153 32.226 -1.073 18292 3119 1 5 . 1 1 109 109 VAL H H 109 8.007 8.007 8.108 -0.101 18292 3120 1 5 . 1 1 110 110 PRO HA H 110 4.361 4.361 4.640 -0.279 18292 3121 1 5 . 1 1 110 110 PRO C C 110 173.778 173.778 175.922 -2.144 18292 3122 1 5 . 1 1 110 110 PRO CA C 110 59.737 59.737 62.330 -2.593 18292 3123 1 5 . 1 1 110 110 PRO CB C 110 29.710 29.710 32.902 -3.192 18292 3124 1 5 . 1 1 111 111 SER N N 111 120.434 120.434 115.241 5.193 18292 3125 1 5 . 1 1 111 111 SER HA H 111 4.139 4.139 4.548 -0.409 18292 3126 1 5 . 1 1 111 111 SER C C 111 172.475 172.475 174.237 -1.762 18292 3127 1 5 . 1 1 111 111 SER CA C 111 57.674 57.674 58.723 -1.049 18292 3128 1 5 . 1 1 111 111 SER CB C 111 60.580 60.580 65.159 -4.579 18292 3129 1 5 . 1 1 111 111 SER H H 111 9.945 9.945 9.318 0.627 18292 3130 1 5 . 1 1 112 112 ARG N N 112 121.013 121.013 121.152 -0.139 18292 3131 1 5 . 1 1 112 112 ARG HA H 112 4.253 4.253 4.459 -0.206 18292 3132 1 5 . 1 1 112 112 ARG C C 112 172.216 172.216 173.795 -1.579 18292 3133 1 5 . 1 1 112 112 ARG CA C 112 53.071 53.071 56.469 -3.398 18292 3134 1 5 . 1 1 112 112 ARG CB C 112 27.963 27.963 31.957 -3.994 18292 3135 1 5 . 1 1 112 112 ARG H H 112 7.861 7.861 8.770 -0.909 18292 3136 1 6 . 1 1 2 2 GLN N N 2 125.719 125.719 123.526 2.193 18292 3137 1 6 . 1 1 2 2 GLN HA H 2 4.571 4.571 4.688 -0.117 18292 3138 1 6 . 1 1 2 2 GLN CA C 2 50.502 50.502 53.798 -3.296 18292 3139 1 6 . 1 1 2 2 GLN CB C 2 26.254 26.254 29.494 -3.240 18292 3140 1 6 . 1 1 2 2 GLN H H 2 8.471 8.471 8.373 0.098 18292 3141 1 6 . 1 1 3 3 PRO HA H 3 4.311 4.311 4.570 -0.259 18292 3142 1 6 . 1 1 3 3 PRO C C 3 173.634 173.634 175.647 -2.013 18292 3143 1 6 . 1 1 3 3 PRO CA C 3 60.349 60.349 63.002 -2.654 18292 3144 1 6 . 1 1 3 3 PRO CB C 3 29.678 29.678 30.406 -0.728 18292 3145 1 6 . 1 1 4 4 LEU N N 4 122.253 122.253 115.274 6.979 18292 3146 1 6 . 1 1 4 4 LEU HA H 4 4.133 4.133 4.731 -0.598 18292 3147 1 6 . 1 1 4 4 LEU C C 4 172.946 172.946 175.086 -2.140 18292 3148 1 6 . 1 1 4 4 LEU CA C 4 51.900 51.900 54.922 -3.022 18292 3149 1 6 . 1 1 4 4 LEU CB C 4 39.711 39.711 41.734 -2.023 18292 3150 1 6 . 1 1 4 4 LEU H H 4 7.912 7.912 7.725 0.187 18292 3151 1 6 . 1 1 5 5 ALA N N 5 122.619 122.619 123.637 -1.018 18292 3152 1 6 . 1 1 5 5 ALA HA H 5 2.385 2.385 4.863 -2.478 18292 3153 1 6 . 1 1 5 5 ALA C C 5 174.164 174.164 176.547 -2.383 18292 3154 1 6 . 1 1 5 5 ALA CA C 5 49.205 49.205 51.772 -2.567 18292 3155 1 6 . 1 1 5 5 ALA CB C 5 17.058 17.058 19.014 -1.956 18292 3156 1 6 . 1 1 5 5 ALA H H 5 7.415 7.415 7.911 -0.496 18292 3157 1 6 . 1 1 6 6 THR N N 6 112.768 112.768 113.452 -0.684 18292 3158 1 6 . 1 1 6 6 THR HA H 6 4.393 4.393 4.771 -0.378 18292 3159 1 6 . 1 1 6 6 THR C C 6 168.908 168.908 175.356 -6.448 18292 3160 1 6 . 1 1 6 6 THR CA C 6 56.371 56.371 59.722 -3.352 18292 3161 1 6 . 1 1 6 6 THR CB C 6 68.874 68.874 71.228 -2.354 18292 3162 1 6 . 1 1 6 6 THR H H 6 6.601 6.601 7.870 -1.269 18292 3163 1 6 . 1 1 7 7 GLN N N 7 111.707 111.707 118.481 -6.774 18292 3164 1 6 . 1 1 7 7 GLN HA H 7 4.344 4.344 4.380 -0.036 18292 3165 1 6 . 1 1 7 7 GLN C C 7 171.068 171.068 174.874 -3.806 18292 3166 1 6 . 1 1 7 7 GLN CA C 7 53.795 53.795 56.597 -2.803 18292 3167 1 6 . 1 1 7 7 GLN CB C 7 28.252 28.252 28.355 -0.103 18292 3168 1 6 . 1 1 7 7 GLN H H 7 8.547 8.547 9.074 -0.527 18292 3169 1 6 . 1 1 8 8 CYS N N 8 118.669 118.669 117.493 1.176 18292 3170 1 6 . 1 1 8 8 CYS HA H 8 5.389 5.389 5.217 0.172 18292 3171 1 6 . 1 1 8 8 CYS C C 8 171.026 171.026 172.784 -1.758 18292 3172 1 6 . 1 1 8 8 CYS CA C 8 53.652 53.652 56.775 -3.123 18292 3173 1 6 . 1 1 8 8 CYS CB C 8 29.416 29.416 30.108 -0.692 18292 3174 1 6 . 1 1 8 8 CYS H H 8 8.558 8.558 7.564 0.994 18292 3175 1 6 . 1 1 9 9 PHE N N 9 117.117 117.117 120.414 -3.297 18292 3176 1 6 . 1 1 9 9 PHE HA H 9 5.369 5.369 5.522 -0.153 18292 3177 1 6 . 1 1 9 9 PHE C C 9 168.313 168.313 172.545 -4.232 18292 3178 1 6 . 1 1 9 9 PHE CA C 9 53.341 53.341 55.348 -2.007 18292 3179 1 6 . 1 1 9 9 PHE CB C 9 39.008 39.008 41.429 -2.421 18292 3180 1 6 . 1 1 9 9 PHE H H 9 9.533 9.533 8.947 0.586 18292 3181 1 6 . 1 1 10 10 GLN N N 10 118.344 118.344 114.686 3.658 18292 3182 1 6 . 1 1 10 10 GLN HA H 10 5.063 5.063 5.046 0.017 18292 3183 1 6 . 1 1 10 10 GLN C C 10 173.280 173.280 174.092 -0.812 18292 3184 1 6 . 1 1 10 10 GLN CA C 10 50.242 50.242 54.192 -3.950 18292 3185 1 6 . 1 1 10 10 GLN CB C 10 30.263 30.263 32.589 -2.326 18292 3186 1 6 . 1 1 10 10 GLN H H 10 9.299 9.299 8.847 0.452 18292 3187 1 6 . 1 1 11 11 LEU N N 11 128.664 128.664 119.130 9.534 18292 3188 1 6 . 1 1 11 11 LEU HA H 11 5.474 5.474 5.041 0.433 18292 3189 1 6 . 1 1 11 11 LEU C C 11 173.987 173.987 177.683 -3.696 18292 3190 1 6 . 1 1 11 11 LEU CA C 11 50.153 50.153 52.850 -2.697 18292 3191 1 6 . 1 1 11 11 LEU CB C 11 41.779 41.779 44.380 -2.601 18292 3192 1 6 . 1 1 11 11 LEU H H 11 9.679 9.679 8.390 1.289 18292 3193 1 6 . 1 1 12 12 SER N N 12 115.661 115.661 114.840 0.821 18292 3194 1 6 . 1 1 12 12 SER HA H 12 4.877 4.877 4.600 0.277 18292 3195 1 6 . 1 1 12 12 SER C C 12 170.086 170.086 172.503 -2.417 18292 3196 1 6 . 1 1 12 12 SER CA C 12 54.698 54.698 58.201 -3.503 18292 3197 1 6 . 1 1 12 12 SER CB C 12 63.054 63.054 62.932 0.122 18292 3198 1 6 . 1 1 12 12 SER H H 12 8.717 8.717 8.203 0.514 18292 3199 1 6 . 1 1 13 13 ASN N N 13 114.812 114.812 117.690 -2.878 18292 3200 1 6 . 1 1 13 13 ASN HA H 13 4.165 4.165 4.512 -0.347 18292 3201 1 6 . 1 1 13 13 ASN C C 13 171.867 171.867 174.306 -2.439 18292 3202 1 6 . 1 1 13 13 ASN CA C 13 51.269 51.269 53.957 -2.688 18292 3203 1 6 . 1 1 13 13 ASN CB C 13 34.988 34.988 39.320 -4.332 18292 3204 1 6 . 1 1 13 13 ASN H H 13 8.563 8.563 8.332 0.231 18292 3205 1 6 . 1 1 14 14 MET N N 14 113.100 113.100 118.506 -5.406 18292 3206 1 6 . 1 1 14 14 MET HA H 14 4.258 4.258 3.890 0.368 18292 3207 1 6 . 1 1 14 14 MET C C 14 171.935 171.935 175.382 -3.447 18292 3208 1 6 . 1 1 14 14 MET CA C 14 53.020 53.020 55.956 -2.936 18292 3209 1 6 . 1 1 14 14 MET CB C 14 29.746 29.746 32.886 -3.140 18292 3210 1 6 . 1 1 14 14 MET H H 14 8.261 8.261 7.989 0.272 18292 3211 1 6 . 1 1 15 15 PHE N N 15 108.769 108.769 109.311 -0.542 18292 3212 1 6 . 1 1 15 15 PHE HA H 15 4.485 4.485 4.721 -0.236 18292 3213 1 6 . 1 1 15 15 PHE C C 15 170.024 170.024 173.172 -3.148 18292 3214 1 6 . 1 1 15 15 PHE CA C 15 53.080 53.080 55.610 -2.530 18292 3215 1 6 . 1 1 15 15 PHE CB C 15 36.300 36.300 39.682 -3.382 18292 3216 1 6 . 1 1 15 15 PHE H H 15 6.804 6.804 6.837 -0.033 18292 3217 1 6 . 1 1 16 16 ASN N N 16 117.922 117.922 117.961 -0.039 18292 3218 1 6 . 1 1 16 16 ASN HA H 16 4.932 4.932 5.239 -0.307 18292 3219 1 6 . 1 1 16 16 ASN CA C 16 47.510 47.510 50.384 -2.874 18292 3220 1 6 . 1 1 16 16 ASN CB C 16 36.512 36.512 39.674 -3.162 18292 3221 1 6 . 1 1 16 16 ASN H H 16 8.681 8.681 8.852 -0.171 18292 3222 1 6 . 1 1 17 17 PRO HA H 17 4.102 4.102 4.406 -0.304 18292 3223 1 6 . 1 1 17 17 PRO C C 17 174.773 174.773 176.373 -1.600 18292 3224 1 6 . 1 1 17 17 PRO CA C 17 61.933 61.933 64.370 -2.437 18292 3225 1 6 . 1 1 17 17 PRO CB C 17 29.557 29.557 32.264 -2.707 18292 3226 1 6 . 1 1 18 18 GLN N N 18 116.462 116.462 115.597 0.865 18292 3227 1 6 . 1 1 18 18 GLN HA H 18 4.146 4.146 4.430 -0.284 18292 3228 1 6 . 1 1 18 18 GLN C C 18 174.423 174.423 175.301 -0.878 18292 3229 1 6 . 1 1 18 18 GLN CA C 18 54.067 54.067 55.435 -1.369 18292 3230 1 6 . 1 1 18 18 GLN CB C 18 26.326 26.326 29.682 -3.356 18292 3231 1 6 . 1 1 18 18 GLN H H 18 7.934 7.934 8.045 -0.111 18292 3232 1 6 . 1 1 19 19 THR N N 19 112.362 112.362 116.009 -3.647 18292 3233 1 6 . 1 1 19 19 THR HA H 19 4.176 4.176 4.508 -0.332 18292 3234 1 6 . 1 1 19 19 THR C C 19 171.908 171.908 172.685 -0.777 18292 3235 1 6 . 1 1 19 19 THR CA C 19 59.509 59.509 61.798 -2.289 18292 3236 1 6 . 1 1 19 19 THR CB C 19 66.360 66.360 69.114 -2.754 18292 3237 1 6 . 1 1 19 19 THR H H 19 7.723 7.723 7.418 0.305 18292 3238 1 6 . 1 1 20 20 GLU N N 20 120.326 120.326 120.821 -0.495 18292 3239 1 6 . 1 1 20 20 GLU HA H 20 3.658 3.658 4.117 -0.459 18292 3240 1 6 . 1 1 20 20 GLU C C 20 173.311 173.311 174.338 -1.027 18292 3241 1 6 . 1 1 20 20 GLU CA C 20 53.164 53.164 55.666 -2.502 18292 3242 1 6 . 1 1 20 20 GLU CB C 20 25.837 25.837 30.358 -4.521 18292 3243 1 6 . 1 1 20 20 GLU H H 20 7.312 7.312 7.582 -0.270 18292 3244 1 6 . 1 1 21 21 GLU N N 21 120.796 120.796 120.021 0.775 18292 3245 1 6 . 1 1 21 21 GLU HA H 21 4.162 4.162 4.275 -0.113 18292 3246 1 6 . 1 1 21 21 GLU C C 21 173.747 173.747 174.921 -1.174 18292 3247 1 6 . 1 1 21 21 GLU CA C 21 53.873 53.873 56.455 -2.582 18292 3248 1 6 . 1 1 21 21 GLU CB C 21 28.445 28.445 30.912 -2.467 18292 3249 1 6 . 1 1 21 21 GLU H H 21 8.011 8.011 8.478 -0.467 18292 3250 1 6 . 1 1 22 22 GLU N N 22 121.370 121.370 118.211 3.159 18292 3251 1 6 . 1 1 22 22 GLU HA H 22 4.393 4.393 4.585 -0.192 18292 3252 1 6 . 1 1 22 22 GLU C C 22 173.536 173.536 175.446 -1.910 18292 3253 1 6 . 1 1 22 22 GLU CA C 22 52.982 52.982 55.493 -2.511 18292 3254 1 6 . 1 1 22 22 GLU CB C 22 28.012 28.012 31.682 -3.670 18292 3255 1 6 . 1 1 22 22 GLU H H 22 8.039 8.039 7.977 0.062 18292 3256 1 6 . 1 1 23 23 VAL N N 23 123.340 123.340 125.155 -1.815 18292 3257 1 6 . 1 1 23 23 VAL HA H 23 3.901 3.901 4.105 -0.204 18292 3258 1 6 . 1 1 23 23 VAL C C 23 175.077 175.077 175.981 -0.904 18292 3259 1 6 . 1 1 23 23 VAL CA C 23 61.540 61.540 62.719 -1.179 18292 3260 1 6 . 1 1 23 23 VAL CB C 23 29.361 29.361 30.653 -1.292 18292 3261 1 6 . 1 1 23 23 VAL H H 23 8.447 8.447 8.869 -0.422 18292 3262 1 6 . 1 1 24 24 GLY N N 24 114.476 114.476 115.335 -0.859 18292 3263 1 6 . 1 1 24 24 GLY C C 24 173.717 173.717 175.079 -1.362 18292 3264 1 6 . 1 1 24 24 GLY CA C 24 42.667 42.667 45.154 -2.487 18292 3265 1 6 . 1 1 24 24 GLY H H 24 9.087 9.087 8.676 0.411 18292 3266 1 6 . 1 1 25 25 TRP N N 25 121.382 121.382 120.609 0.773 18292 3267 1 6 . 1 1 25 25 TRP HA H 25 4.214 4.214 4.389 -0.175 18292 3268 1 6 . 1 1 25 25 TRP C C 25 174.056 174.056 175.839 -1.783 18292 3269 1 6 . 1 1 25 25 TRP CA C 25 56.093 56.093 58.822 -2.728 18292 3270 1 6 . 1 1 25 25 TRP CB C 25 25.016 25.016 28.090 -3.074 18292 3271 1 6 . 1 1 26 26 ASP N N 26 118.789 118.789 121.151 -2.362 18292 3272 1 6 . 1 1 26 26 ASP HA H 26 3.261 3.261 4.060 -0.799 18292 3273 1 6 . 1 1 26 26 ASP C C 26 174.709 174.709 177.686 -2.977 18292 3274 1 6 . 1 1 26 26 ASP CA C 26 52.705 52.705 56.470 -3.765 18292 3275 1 6 . 1 1 26 26 ASP CB C 26 34.503 34.503 40.763 -6.260 18292 3276 1 6 . 1 1 26 26 ASP H H 26 7.939 7.939 7.795 0.144 18292 3277 1 6 . 1 1 27 27 THR N N 27 118.934 118.934 115.735 3.199 18292 3278 1 6 . 1 1 27 27 THR HA H 27 3.552 3.552 3.975 -0.423 18292 3279 1 6 . 1 1 27 27 THR C C 27 172.390 172.390 176.539 -4.149 18292 3280 1 6 . 1 1 27 27 THR CA C 27 63.307 63.307 66.352 -3.045 18292 3281 1 6 . 1 1 27 27 THR CB C 27 65.331 65.331 68.771 -3.440 18292 3282 1 6 . 1 1 27 27 THR H H 27 7.103 7.103 7.458 -0.355 18292 3283 1 6 . 1 1 28 28 GLU N N 28 120.484 120.484 121.621 -1.137 18292 3284 1 6 . 1 1 28 28 GLU HA H 28 3.978 3.978 4.391 -0.413 18292 3285 1 6 . 1 1 28 28 GLU C C 28 175.447 175.447 178.738 -3.291 18292 3286 1 6 . 1 1 28 28 GLU CA C 28 56.760 56.760 58.363 -1.603 18292 3287 1 6 . 1 1 28 28 GLU CB C 28 26.418 26.418 28.966 -2.548 18292 3288 1 6 . 1 1 28 28 GLU H H 28 7.473 7.473 8.249 -0.776 18292 3289 1 6 . 1 1 29 29 ILE N N 29 116.961 116.961 120.012 -3.051 18292 3290 1 6 . 1 1 29 29 ILE HA H 29 3.773 3.773 3.803 -0.030 18292 3291 1 6 . 1 1 29 29 ILE C C 29 174.605 174.605 177.976 -3.371 18292 3292 1 6 . 1 1 29 29 ILE CA C 29 61.243 61.243 65.018 -3.775 18292 3293 1 6 . 1 1 29 29 ILE CB C 29 35.267 35.267 37.763 -2.496 18292 3294 1 6 . 1 1 29 29 ILE H H 29 7.113 7.113 7.433 -0.320 18292 3295 1 6 . 1 1 30 30 LYS N N 30 118.457 118.457 120.172 -1.715 18292 3296 1 6 . 1 1 30 30 LYS HA H 30 3.430 3.430 3.920 -0.490 18292 3297 1 6 . 1 1 30 30 LYS C C 30 174.886 174.886 178.318 -3.432 18292 3298 1 6 . 1 1 30 30 LYS CA C 30 57.872 57.872 59.773 -1.901 18292 3299 1 6 . 1 1 30 30 LYS CB C 30 29.680 29.680 32.105 -2.425 18292 3300 1 6 . 1 1 30 30 LYS H H 30 7.480 7.480 7.727 -0.247 18292 3301 1 6 . 1 1 31 31 ASP N N 31 118.630 118.630 118.537 0.093 18292 3302 1 6 . 1 1 31 31 ASP HA H 31 4.233 4.233 4.393 -0.160 18292 3303 1 6 . 1 1 31 31 ASP C C 31 175.558 175.558 178.078 -2.520 18292 3304 1 6 . 1 1 31 31 ASP CA C 31 55.137 55.137 57.368 -2.231 18292 3305 1 6 . 1 1 31 31 ASP CB C 31 36.829 36.829 40.406 -3.577 18292 3306 1 6 . 1 1 31 31 ASP H H 31 8.334 8.334 7.858 0.476 18292 3307 1 6 . 1 1 32 32 ASP N N 32 120.576 120.576 120.027 0.549 18292 3308 1 6 . 1 1 32 32 ASP HA H 32 4.277 4.277 4.559 -0.282 18292 3309 1 6 . 1 1 32 32 ASP C C 32 176.966 176.966 178.821 -1.855 18292 3310 1 6 . 1 1 32 32 ASP CA C 32 54.829 54.829 57.041 -2.212 18292 3311 1 6 . 1 1 32 32 ASP CB C 32 37.331 37.331 41.023 -3.692 18292 3312 1 6 . 1 1 32 32 ASP H H 32 8.189 8.189 7.923 0.266 18292 3313 1 6 . 1 1 33 33 VAL N N 33 121.083 121.083 118.175 2.908 18292 3314 1 6 . 1 1 33 33 VAL HA H 33 3.444 3.444 3.877 -0.433 18292 3315 1 6 . 1 1 33 33 VAL C C 33 175.529 175.529 177.685 -2.156 18292 3316 1 6 . 1 1 33 33 VAL CA C 33 64.511 64.511 65.186 -0.675 18292 3317 1 6 . 1 1 33 33 VAL CB C 33 28.920 28.920 31.636 -2.716 18292 3318 1 6 . 1 1 33 33 VAL H H 33 8.069 8.069 7.415 0.654 18292 3319 1 6 . 1 1 34 34 ILE N N 34 122.145 122.145 121.458 0.687 18292 3320 1 6 . 1 1 34 34 ILE HA H 34 3.272 3.272 3.624 -0.352 18292 3321 1 6 . 1 1 34 34 ILE C C 34 174.723 174.723 177.857 -3.134 18292 3322 1 6 . 1 1 34 34 ILE CA C 34 63.723 63.723 65.917 -2.194 18292 3323 1 6 . 1 1 34 34 ILE CB C 34 35.949 35.949 37.600 -1.651 18292 3324 1 6 . 1 1 34 34 ILE H H 34 8.887 8.887 7.134 1.753 18292 3325 1 6 . 1 1 35 35 GLU N N 35 117.927 117.927 119.406 -1.479 18292 3326 1 6 . 1 1 35 35 GLU HA H 35 3.830 3.830 3.981 -0.151 18292 3327 1 6 . 1 1 35 35 GLU C C 35 176.747 176.747 179.482 -2.735 18292 3328 1 6 . 1 1 35 35 GLU CA C 35 57.183 57.183 59.784 -2.601 18292 3329 1 6 . 1 1 35 35 GLU CB C 35 26.969 26.969 29.135 -2.166 18292 3330 1 6 . 1 1 35 35 GLU H H 35 8.565 8.565 8.490 0.075 18292 3331 1 6 . 1 1 36 36 GLU N N 36 117.299 117.299 119.639 -2.340 18292 3332 1 6 . 1 1 36 36 GLU HA H 36 4.012 4.012 4.198 -0.186 18292 3333 1 6 . 1 1 36 36 GLU C C 36 176.604 176.604 179.295 -2.691 18292 3334 1 6 . 1 1 36 36 GLU CA C 36 56.357 56.357 59.447 -3.090 18292 3335 1 6 . 1 1 36 36 GLU CB C 36 26.612 26.612 29.468 -2.856 18292 3336 1 6 . 1 1 36 36 GLU H H 36 7.523 7.523 7.830 -0.307 18292 3337 1 6 . 1 1 37 37 CYS N N 37 116.308 116.308 118.928 -2.620 18292 3338 1 6 . 1 1 37 37 CYS HA H 37 4.141 4.141 4.262 -0.121 18292 3339 1 6 . 1 1 37 37 CYS C C 37 175.888 175.888 176.625 -0.737 18292 3340 1 6 . 1 1 37 37 CYS CA C 37 61.915 61.915 62.615 -0.700 18292 3341 1 6 . 1 1 37 37 CYS CB C 37 24.513 24.513 27.085 -2.572 18292 3342 1 6 . 1 1 37 37 CYS H H 37 8.754 8.754 8.088 0.666 18292 3343 1 6 . 1 1 38 38 ASN N N 38 121.598 121.598 117.263 4.335 18292 3344 1 6 . 1 1 38 38 ASN HA H 38 4.452 4.452 4.570 -0.118 18292 3345 1 6 . 1 1 38 38 ASN C C 38 174.340 174.340 176.297 -1.957 18292 3346 1 6 . 1 1 38 38 ASN CA C 38 52.249 52.249 55.425 -3.176 18292 3347 1 6 . 1 1 38 38 ASN CB C 38 34.488 34.488 38.446 -3.958 18292 3348 1 6 . 1 1 38 38 ASN H H 38 8.800 8.800 8.591 0.209 18292 3349 1 6 . 1 1 39 39 LYS N N 39 119.297 119.297 115.607 3.690 18292 3350 1 6 . 1 1 39 39 LYS HA H 39 4.002 4.002 4.395 -0.393 18292 3351 1 6 . 1 1 39 39 LYS C C 39 174.388 174.388 176.973 -2.585 18292 3352 1 6 . 1 1 39 39 LYS CA C 39 55.239 55.239 57.046 -1.807 18292 3353 1 6 . 1 1 39 39 LYS CB C 39 29.477 29.477 32.856 -3.379 18292 3354 1 6 . 1 1 39 39 LYS H H 39 7.427 7.427 8.044 -0.617 18292 3355 1 6 . 1 1 40 40 HIS N N 40 114.421 114.421 116.966 -2.545 18292 3356 1 6 . 1 1 40 40 HIS HA H 40 4.896 4.896 4.743 0.153 18292 3357 1 6 . 1 1 40 40 HIS C C 40 171.895 171.895 175.245 -3.350 18292 3358 1 6 . 1 1 40 40 HIS CA C 40 51.758 51.758 56.737 -4.979 18292 3359 1 6 . 1 1 40 40 HIS CB C 40 28.775 28.775 31.167 -2.392 18292 3360 1 6 . 1 1 40 40 HIS H H 40 7.453 7.453 7.548 -0.095 18292 3361 1 6 . 1 1 41 41 GLY N N 41 106.587 106.587 106.838 -0.251 18292 3362 1 6 . 1 1 41 41 GLY C C 41 171.376 171.376 173.854 -2.478 18292 3363 1 6 . 1 1 41 41 GLY CA C 41 42.388 42.388 45.030 -2.642 18292 3364 1 6 . 1 1 41 41 GLY H H 41 7.599 7.599 8.388 -0.789 18292 3365 1 6 . 1 1 42 42 GLY N N 42 107.066 107.066 107.460 -0.394 18292 3366 1 6 . 1 1 42 42 GLY C C 42 169.120 169.120 172.469 -3.349 18292 3367 1 6 . 1 1 42 42 GLY CA C 42 41.518 41.518 44.846 -3.328 18292 3368 1 6 . 1 1 42 42 GLY H H 42 7.942 7.942 8.045 -0.103 18292 3369 1 6 . 1 1 43 43 VAL N N 43 114.640 114.640 121.519 -6.879 18292 3370 1 6 . 1 1 43 43 VAL HA H 43 4.527 4.527 4.996 -0.469 18292 3371 1 6 . 1 1 43 43 VAL C C 43 169.861 169.861 174.789 -4.928 18292 3372 1 6 . 1 1 43 43 VAL CA C 43 58.404 58.404 59.366 -0.962 18292 3373 1 6 . 1 1 43 43 VAL CB C 43 31.692 31.692 35.377 -3.685 18292 3374 1 6 . 1 1 43 43 VAL H H 43 8.679 8.679 8.603 0.076 18292 3375 1 6 . 1 1 44 44 ILE N N 44 115.792 115.792 121.826 -6.034 18292 3376 1 6 . 1 1 44 44 ILE HA H 44 4.918 4.918 4.811 0.107 18292 3377 1 6 . 1 1 44 44 ILE C C 44 172.246 172.246 174.499 -2.253 18292 3378 1 6 . 1 1 44 44 ILE CA C 44 57.770 57.770 60.461 -2.691 18292 3379 1 6 . 1 1 44 44 ILE CB C 44 37.197 37.197 39.188 -1.991 18292 3380 1 6 . 1 1 44 44 ILE H H 44 8.587 8.587 8.613 -0.026 18292 3381 1 6 . 1 1 45 45 HIS N N 45 122.684 122.684 117.457 5.227 18292 3382 1 6 . 1 1 45 45 HIS HA H 45 4.426 4.426 4.728 -0.302 18292 3383 1 6 . 1 1 45 45 HIS C C 45 168.452 168.452 172.595 -4.143 18292 3384 1 6 . 1 1 45 45 HIS CA C 45 55.548 55.548 56.106 -0.558 18292 3385 1 6 . 1 1 45 45 HIS CB C 45 31.632 31.632 33.997 -2.365 18292 3386 1 6 . 1 1 45 45 HIS H H 45 7.791 7.791 7.682 0.109 18292 3387 1 6 . 1 1 46 46 ILE N N 46 123.917 123.917 125.667 -1.750 18292 3388 1 6 . 1 1 46 46 ILE HA H 46 5.120 5.120 5.043 0.077 18292 3389 1 6 . 1 1 46 46 ILE C C 46 170.171 170.171 173.456 -3.285 18292 3390 1 6 . 1 1 46 46 ILE CA C 46 56.063 56.063 59.436 -3.373 18292 3391 1 6 . 1 1 46 46 ILE CB C 46 39.753 39.753 42.301 -2.548 18292 3392 1 6 . 1 1 46 46 ILE H H 46 7.391 7.391 8.142 -0.751 18292 3393 1 6 . 1 1 47 47 TYR N N 47 125.750 125.750 128.209 -2.459 18292 3394 1 6 . 1 1 47 47 TYR HA H 47 4.370 4.370 4.777 -0.407 18292 3395 1 6 . 1 1 47 47 TYR C C 47 171.029 171.029 173.196 -2.167 18292 3396 1 6 . 1 1 47 47 TYR CA C 47 54.800 54.800 56.412 -1.612 18292 3397 1 6 . 1 1 47 47 TYR CB C 47 39.851 39.851 39.769 0.082 18292 3398 1 6 . 1 1 47 47 TYR H H 47 9.055 9.055 8.907 0.148 18292 3399 1 6 . 1 1 48 48 VAL N N 48 129.720 129.720 128.246 1.474 18292 3400 1 6 . 1 1 48 48 VAL HA H 48 3.869 3.869 3.859 0.010 18292 3401 1 6 . 1 1 48 48 VAL C C 48 170.949 170.949 175.488 -4.539 18292 3402 1 6 . 1 1 48 48 VAL CA C 48 59.328 59.328 63.247 -3.919 18292 3403 1 6 . 1 1 48 48 VAL CB C 48 29.022 29.022 31.717 -2.695 18292 3404 1 6 . 1 1 48 48 VAL H H 48 8.290 8.290 8.617 -0.327 18292 3405 1 6 . 1 1 49 49 ASP N N 49 125.287 125.287 126.364 -1.077 18292 3406 1 6 . 1 1 49 49 ASP HA H 49 4.703 4.703 4.815 -0.112 18292 3407 1 6 . 1 1 49 49 ASP C C 49 173.851 173.851 176.719 -2.868 18292 3408 1 6 . 1 1 49 49 ASP CA C 49 50.349 50.349 52.087 -1.738 18292 3409 1 6 . 1 1 49 49 ASP CB C 49 38.139 38.139 40.919 -2.780 18292 3410 1 6 . 1 1 49 49 ASP H H 49 8.274 8.274 8.262 0.012 18292 3411 1 6 . 1 1 50 50 LYS N N 50 125.099 125.099 123.619 1.480 18292 3412 1 6 . 1 1 50 50 LYS HA H 50 4.096 4.096 3.855 0.241 18292 3413 1 6 . 1 1 50 50 LYS C C 50 173.120 173.120 177.074 -3.954 18292 3414 1 6 . 1 1 50 50 LYS CA C 50 56.284 56.284 59.114 -2.830 18292 3415 1 6 . 1 1 50 50 LYS CB C 50 29.763 29.763 31.529 -1.766 18292 3416 1 6 . 1 1 50 50 LYS H H 50 8.090 8.090 8.487 -0.397 18292 3417 1 6 . 1 1 51 51 ASN N N 51 114.422 114.422 117.377 -2.955 18292 3418 1 6 . 1 1 51 51 ASN HA H 51 4.931 4.931 4.794 0.137 18292 3419 1 6 . 1 1 51 51 ASN C C 51 172.685 172.685 175.871 -3.186 18292 3420 1 6 . 1 1 51 51 ASN CA C 51 50.744 50.744 53.015 -2.271 18292 3421 1 6 . 1 1 51 51 ASN CB C 51 37.036 37.036 38.391 -1.355 18292 3422 1 6 . 1 1 51 51 ASN H H 51 8.272 8.272 8.518 -0.246 18292 3423 1 6 . 1 1 52 52 SER N N 52 115.013 115.013 116.895 -1.882 18292 3424 1 6 . 1 1 52 52 SER HA H 52 4.410 4.410 4.340 0.070 18292 3425 1 6 . 1 1 52 52 SER C C 52 172.628 172.628 174.756 -2.128 18292 3426 1 6 . 1 1 52 52 SER CA C 52 55.035 55.035 60.026 -4.992 18292 3427 1 6 . 1 1 52 52 SER CB C 52 61.604 61.604 63.897 -2.292 18292 3428 1 6 . 1 1 52 52 SER H H 52 7.920 7.920 7.845 0.075 18292 3429 1 6 . 1 1 53 53 ALA N N 53 129.163 129.163 126.540 2.623 18292 3430 1 6 . 1 1 53 53 ALA HA H 53 4.088 4.088 4.575 -0.487 18292 3431 1 6 . 1 1 53 53 ALA C C 53 175.951 175.951 177.651 -1.700 18292 3432 1 6 . 1 1 53 53 ALA CA C 53 51.409 51.409 53.109 -1.700 18292 3433 1 6 . 1 1 53 53 ALA CB C 53 15.878 15.878 20.074 -4.196 18292 3434 1 6 . 1 1 53 53 ALA H H 53 8.837 8.837 8.850 -0.013 18292 3435 1 6 . 1 1 54 54 GLN N N 54 113.081 113.081 117.663 -4.582 18292 3436 1 6 . 1 1 54 54 GLN HA H 54 4.202 4.202 4.400 -0.198 18292 3437 1 6 . 1 1 54 54 GLN C C 54 173.388 173.388 174.720 -1.332 18292 3438 1 6 . 1 1 54 54 GLN CA C 54 52.993 52.993 54.516 -1.523 18292 3439 1 6 . 1 1 54 54 GLN CB C 54 26.360 26.360 30.020 -3.660 18292 3440 1 6 . 1 1 54 54 GLN H H 54 7.836 7.836 7.854 -0.018 18292 3441 1 6 . 1 1 55 55 GLY N N 55 108.967 108.967 107.486 1.481 18292 3442 1 6 . 1 1 55 55 GLY CA C 55 45.087 45.087 44.798 0.289 18292 3443 1 6 . 1 1 55 55 GLY H H 55 7.191 7.191 8.488 -1.297 18292 3444 1 6 . 1 1 56 56 ASN N N 56 114.505 114.505 118.208 -3.703 18292 3445 1 6 . 1 1 56 56 ASN HA H 56 5.520 5.520 4.779 0.741 18292 3446 1 6 . 1 1 56 56 ASN C C 56 172.166 172.166 173.923 -1.757 18292 3447 1 6 . 1 1 56 56 ASN CA C 56 50.462 50.462 53.636 -3.174 18292 3448 1 6 . 1 1 56 56 ASN CB C 56 38.400 38.400 40.505 -2.105 18292 3449 1 6 . 1 1 56 56 ASN H H 56 7.614 7.614 7.878 -0.264 18292 3450 1 6 . 1 1 57 57 VAL N N 57 119.859 119.859 119.705 0.154 18292 3451 1 6 . 1 1 57 57 VAL HA H 57 4.692 4.692 4.641 0.051 18292 3452 1 6 . 1 1 57 57 VAL C C 57 170.667 170.667 174.046 -3.379 18292 3453 1 6 . 1 1 57 57 VAL CA C 57 58.163 58.163 60.279 -2.116 18292 3454 1 6 . 1 1 57 57 VAL CB C 57 33.663 33.663 34.946 -1.283 18292 3455 1 6 . 1 1 57 57 VAL H H 57 8.354 8.354 7.729 0.625 18292 3456 1 6 . 1 1 58 58 TYR N N 58 128.478 128.478 127.921 0.557 18292 3457 1 6 . 1 1 58 58 TYR HA H 58 4.937 4.937 4.378 0.559 18292 3458 1 6 . 1 1 58 58 TYR C C 58 170.605 170.605 174.732 -4.127 18292 3459 1 6 . 1 1 58 58 TYR CA C 58 55.354 55.354 58.950 -3.596 18292 3460 1 6 . 1 1 58 58 TYR CB C 58 37.775 37.775 38.977 -1.202 18292 3461 1 6 . 1 1 58 58 TYR H H 58 9.275 9.275 8.922 0.353 18292 3462 1 6 . 1 1 59 59 VAL N N 59 123.117 123.117 123.117 0.000 18292 3463 1 6 . 1 1 59 59 VAL HA H 59 4.462 4.462 4.702 -0.240 18292 3464 1 6 . 1 1 59 59 VAL C C 59 170.875 170.875 173.898 -3.023 18292 3465 1 6 . 1 1 59 59 VAL CA C 59 58.527 58.527 60.125 -1.598 18292 3466 1 6 . 1 1 59 59 VAL CB C 59 32.611 32.611 34.420 -1.809 18292 3467 1 6 . 1 1 59 59 VAL H H 59 8.860 8.860 8.341 0.519 18292 3468 1 6 . 1 1 60 60 LYS N N 60 123.266 123.266 125.543 -2.277 18292 3469 1 6 . 1 1 60 60 LYS HA H 60 4.745 4.745 4.829 -0.084 18292 3470 1 6 . 1 1 60 60 LYS C C 60 173.399 173.399 175.173 -1.774 18292 3471 1 6 . 1 1 60 60 LYS CA C 60 52.207 52.207 54.513 -2.305 18292 3472 1 6 . 1 1 60 60 LYS CB C 60 34.244 34.244 36.050 -1.806 18292 3473 1 6 . 1 1 60 60 LYS H H 60 8.668 8.668 8.918 -0.250 18292 3474 1 6 . 1 1 61 61 CYS N N 61 125.267 125.267 121.212 4.055 18292 3475 1 6 . 1 1 61 61 CYS HA H 61 4.740 4.740 5.076 -0.336 18292 3476 1 6 . 1 1 61 61 CYS CA C 61 56.393 56.393 56.525 -0.132 18292 3477 1 6 . 1 1 61 61 CYS CB C 61 27.416 27.416 29.215 -1.799 18292 3478 1 6 . 1 1 61 61 CYS H H 61 9.207 9.207 8.954 0.253 18292 3479 1 6 . 1 1 62 62 PRO HA H 62 4.266 4.266 4.456 -0.190 18292 3480 1 6 . 1 1 62 62 PRO C C 62 171.443 171.443 176.043 -4.600 18292 3481 1 6 . 1 1 62 62 PRO CA C 62 61.167 61.167 63.977 -2.810 18292 3482 1 6 . 1 1 62 62 PRO CB C 62 29.450 29.450 32.176 -2.726 18292 3483 1 6 . 1 1 63 63 SER N N 63 108.558 108.558 113.921 -5.363 18292 3484 1 6 . 1 1 63 63 SER HA H 63 4.606 4.606 4.706 -0.100 18292 3485 1 6 . 1 1 63 63 SER C C 63 171.147 171.147 174.431 -3.284 18292 3486 1 6 . 1 1 63 63 SER CA C 63 53.259 53.259 57.238 -3.979 18292 3487 1 6 . 1 1 63 63 SER CB C 63 63.378 63.378 66.506 -3.128 18292 3488 1 6 . 1 1 63 63 SER H H 63 6.990 6.990 7.938 -0.948 18292 3489 1 6 . 1 1 64 64 ILE N N 64 122.885 122.885 124.611 -1.726 18292 3490 1 6 . 1 1 64 64 ILE HA H 64 3.462 3.462 3.791 -0.329 18292 3491 1 6 . 1 1 64 64 ILE C C 64 174.204 174.204 177.574 -3.370 18292 3492 1 6 . 1 1 64 64 ILE CA C 64 62.955 62.955 65.376 -2.421 18292 3493 1 6 . 1 1 64 64 ILE CB C 64 35.297 35.297 37.841 -2.544 18292 3494 1 6 . 1 1 64 64 ILE H H 64 8.786 8.786 8.863 -0.077 18292 3495 1 6 . 1 1 65 65 ALA N N 65 120.653 120.653 122.610 -1.957 18292 3496 1 6 . 1 1 65 65 ALA HA H 65 3.890 3.890 3.970 -0.080 18292 3497 1 6 . 1 1 65 65 ALA C C 65 177.926 177.926 179.107 -1.181 18292 3498 1 6 . 1 1 65 65 ALA CA C 65 52.772 52.772 55.096 -2.324 18292 3499 1 6 . 1 1 65 65 ALA CB C 65 15.552 15.552 17.771 -2.219 18292 3500 1 6 . 1 1 65 65 ALA H H 65 8.287 8.287 8.504 -0.217 18292 3501 1 6 . 1 1 66 66 ALA N N 66 119.802 119.802 121.292 -1.490 18292 3502 1 6 . 1 1 66 66 ALA HA H 66 4.344 4.344 4.572 -0.228 18292 3503 1 6 . 1 1 66 66 ALA C C 66 176.063 176.063 179.405 -3.342 18292 3504 1 6 . 1 1 66 66 ALA CA C 66 52.108 52.108 54.312 -2.204 18292 3505 1 6 . 1 1 66 66 ALA CB C 66 16.106 16.106 18.525 -2.419 18292 3506 1 6 . 1 1 66 66 ALA H H 66 7.952 7.952 7.725 0.227 18292 3507 1 6 . 1 1 67 67 ALA N N 67 121.626 121.626 123.086 -1.460 18292 3508 1 6 . 1 1 67 67 ALA HA H 67 4.398 4.398 3.876 0.522 18292 3509 1 6 . 1 1 67 67 ALA C C 67 175.824 175.824 179.123 -3.299 18292 3510 1 6 . 1 1 67 67 ALA CA C 67 53.135 53.135 54.674 -1.539 18292 3511 1 6 . 1 1 67 67 ALA CB C 67 17.020 17.020 18.283 -1.263 18292 3512 1 6 . 1 1 67 67 ALA H H 67 7.332 7.332 7.391 -0.059 18292 3513 1 6 . 1 1 68 68 ILE N N 68 117.793 117.793 119.684 -1.891 18292 3514 1 6 . 1 1 68 68 ILE HA H 68 4.185 4.185 3.624 0.561 18292 3515 1 6 . 1 1 68 68 ILE C C 68 176.163 176.163 178.250 -2.087 18292 3516 1 6 . 1 1 68 68 ILE CA C 68 61.323 61.323 65.263 -3.940 18292 3517 1 6 . 1 1 68 68 ILE CB C 68 36.657 36.657 37.812 -1.155 18292 3518 1 6 . 1 1 68 68 ILE H H 68 8.655 8.655 8.513 0.142 18292 3519 1 6 . 1 1 69 69 ALA N N 69 119.051 119.051 120.907 -1.856 18292 3520 1 6 . 1 1 69 69 ALA HA H 69 3.836 3.836 4.002 -0.166 18292 3521 1 6 . 1 1 69 69 ALA C C 69 177.325 177.325 179.333 -2.008 18292 3522 1 6 . 1 1 69 69 ALA CA C 69 51.781 51.781 55.209 -3.428 18292 3523 1 6 . 1 1 69 69 ALA CB C 69 15.767 15.767 18.092 -2.325 18292 3524 1 6 . 1 1 69 69 ALA H H 69 7.377 7.377 8.083 -0.706 18292 3525 1 6 . 1 1 70 70 ALA N N 70 121.378 121.378 121.324 0.054 18292 3526 1 6 . 1 1 70 70 ALA HA H 70 3.544 3.544 3.496 0.048 18292 3527 1 6 . 1 1 70 70 ALA C C 70 176.012 176.012 179.334 -3.322 18292 3528 1 6 . 1 1 70 70 ALA CA C 70 52.966 52.966 54.492 -1.526 18292 3529 1 6 . 1 1 70 70 ALA CB C 70 16.740 16.740 18.020 -1.280 18292 3530 1 6 . 1 1 70 70 ALA H H 70 7.798 7.798 7.720 0.078 18292 3531 1 6 . 1 1 71 71 VAL N N 71 119.944 119.944 118.420 1.524 18292 3532 1 6 . 1 1 71 71 VAL HA H 71 2.524 2.524 3.199 -0.675 18292 3533 1 6 . 1 1 71 71 VAL C C 71 175.408 175.408 177.905 -2.497 18292 3534 1 6 . 1 1 71 71 VAL CA C 71 64.993 64.993 67.008 -2.015 18292 3535 1 6 . 1 1 71 71 VAL CB C 71 28.184 28.184 31.388 -3.204 18292 3536 1 6 . 1 1 71 71 VAL H H 71 8.662 8.662 7.965 0.697 18292 3537 1 6 . 1 1 72 72 ASN N N 72 114.981 114.981 116.920 -1.939 18292 3538 1 6 . 1 1 72 72 ASN HA H 72 4.244 4.244 4.456 -0.212 18292 3539 1 6 . 1 1 72 72 ASN C C 72 174.490 174.490 176.512 -2.022 18292 3540 1 6 . 1 1 72 72 ASN CA C 72 52.776 52.776 55.273 -2.497 18292 3541 1 6 . 1 1 72 72 ASN CB C 72 35.394 35.394 38.120 -2.726 18292 3542 1 6 . 1 1 72 72 ASN H H 72 8.061 8.061 8.297 -0.236 18292 3543 1 6 . 1 1 73 73 ALA N N 73 120.308 120.308 121.083 -0.775 18292 3544 1 6 . 1 1 73 73 ALA HA H 73 4.162 4.162 4.233 -0.071 18292 3545 1 6 . 1 1 73 73 ALA C C 73 176.245 176.245 178.804 -2.559 18292 3546 1 6 . 1 1 73 73 ALA CA C 73 51.058 51.058 53.999 -2.941 18292 3547 1 6 . 1 1 73 73 ALA CB C 73 17.457 17.457 18.940 -1.483 18292 3548 1 6 . 1 1 73 73 ALA H H 73 7.230 7.230 7.412 -0.182 18292 3549 1 6 . 1 1 74 74 LEU N N 74 118.156 118.156 115.859 2.297 18292 3550 1 6 . 1 1 74 74 LEU HA H 74 4.021 4.021 4.319 -0.298 18292 3551 1 6 . 1 1 74 74 LEU C C 74 173.863 173.863 177.612 -3.749 18292 3552 1 6 . 1 1 74 74 LEU CA C 74 53.853 53.853 55.819 -1.966 18292 3553 1 6 . 1 1 74 74 LEU CB C 74 41.552 41.552 43.017 -1.466 18292 3554 1 6 . 1 1 74 74 LEU H H 74 7.856 7.856 7.417 0.439 18292 3555 1 6 . 1 1 75 75 HIS N N 75 117.126 117.126 119.264 -2.138 18292 3556 1 6 . 1 1 75 75 HIS HA H 75 3.830 3.830 4.321 -0.491 18292 3557 1 6 . 1 1 75 75 HIS C C 75 174.851 174.851 175.969 -1.118 18292 3558 1 6 . 1 1 75 75 HIS CA C 75 56.621 56.621 57.699 -1.078 18292 3559 1 6 . 1 1 75 75 HIS CB C 75 28.299 28.299 29.413 -1.114 18292 3560 1 6 . 1 1 75 75 HIS H H 75 8.434 8.434 8.123 0.311 18292 3561 1 6 . 1 1 76 76 GLY N N 76 116.761 116.761 116.432 0.329 18292 3562 1 6 . 1 1 76 76 GLY CA C 76 42.221 42.221 44.765 -2.544 18292 3563 1 6 . 1 1 76 76 GLY H H 76 8.418 8.418 8.940 -0.522 18292 3564 1 6 . 1 1 77 77 ARG N N 77 120.430 120.430 120.135 0.295 18292 3565 1 6 . 1 1 77 77 ARG HA H 77 4.248 4.248 4.433 -0.185 18292 3566 1 6 . 1 1 77 77 ARG C C 77 173.536 173.536 174.920 -1.384 18292 3567 1 6 . 1 1 77 77 ARG CA C 77 53.029 53.029 56.406 -3.377 18292 3568 1 6 . 1 1 77 77 ARG CB C 77 29.058 29.058 31.739 -2.681 18292 3569 1 6 . 1 1 77 77 ARG H H 77 7.385 7.385 7.630 -0.245 18292 3570 1 6 . 1 1 78 78 TRP N N 78 122.989 122.989 120.740 2.249 18292 3571 1 6 . 1 1 78 78 TRP HA H 78 4.941 4.941 5.148 -0.207 18292 3572 1 6 . 1 1 78 78 TRP C C 78 173.888 173.888 176.217 -2.329 18292 3573 1 6 . 1 1 78 78 TRP CA C 78 54.234 54.234 56.688 -2.454 18292 3574 1 6 . 1 1 78 78 TRP CB C 78 26.923 26.923 30.235 -3.312 18292 3575 1 6 . 1 1 78 78 TRP H H 78 8.463 8.463 8.507 -0.044 18292 3576 1 6 . 1 1 79 79 PHE N N 79 126.899 126.899 124.621 2.278 18292 3577 1 6 . 1 1 79 79 PHE HA H 79 4.637 4.637 4.453 0.184 18292 3578 1 6 . 1 1 79 79 PHE C C 79 171.696 171.696 177.602 -5.906 18292 3579 1 6 . 1 1 79 79 PHE CA C 79 54.624 54.624 58.721 -4.097 18292 3580 1 6 . 1 1 79 79 PHE CB C 79 39.577 39.577 40.722 -1.145 18292 3581 1 6 . 1 1 79 79 PHE H H 79 9.500 9.500 8.895 0.605 18292 3582 1 6 . 1 1 80 80 ALA N N 80 130.285 130.285 123.407 6.878 18292 3583 1 6 . 1 1 80 80 ALA HA H 80 3.705 3.705 4.201 -0.496 18292 3584 1 6 . 1 1 80 80 ALA C C 80 174.560 174.560 176.781 -2.221 18292 3585 1 6 . 1 1 80 80 ALA CA C 80 49.993 49.993 52.937 -2.944 18292 3586 1 6 . 1 1 80 80 ALA CB C 80 14.479 14.479 16.957 -2.478 18292 3587 1 6 . 1 1 80 80 ALA H H 80 8.840 8.840 7.984 0.856 18292 3588 1 6 . 1 1 81 81 GLY N N 81 102.771 102.771 104.602 -1.831 18292 3589 1 6 . 1 1 81 81 GLY C C 81 171.087 171.087 173.267 -2.180 18292 3590 1 6 . 1 1 81 81 GLY CA C 81 42.891 42.891 45.194 -2.303 18292 3591 1 6 . 1 1 81 81 GLY H H 81 8.268 8.268 8.105 0.163 18292 3592 1 6 . 1 1 82 82 LYS N N 82 120.307 120.307 119.403 0.904 18292 3593 1 6 . 1 1 82 82 LYS HA H 82 4.469 4.469 4.625 -0.156 18292 3594 1 6 . 1 1 82 82 LYS C C 82 170.688 170.688 174.614 -3.926 18292 3595 1 6 . 1 1 82 82 LYS CA C 82 52.029 52.029 54.349 -2.321 18292 3596 1 6 . 1 1 82 82 LYS CB C 82 32.776 32.776 35.369 -2.593 18292 3597 1 6 . 1 1 82 82 LYS H H 82 7.791 7.791 8.015 -0.224 18292 3598 1 6 . 1 1 83 83 MET N N 83 121.212 121.212 120.014 1.198 18292 3599 1 6 . 1 1 83 83 MET HA H 83 3.871 3.871 4.013 -0.142 18292 3600 1 6 . 1 1 83 83 MET C C 83 173.474 173.474 175.387 -1.913 18292 3601 1 6 . 1 1 83 83 MET CA C 83 51.968 51.968 54.507 -2.539 18292 3602 1 6 . 1 1 83 83 MET CB C 83 30.275 30.275 33.069 -2.794 18292 3603 1 6 . 1 1 83 83 MET H H 83 7.953 7.953 8.047 -0.094 18292 3604 1 6 . 1 1 84 84 ILE N N 84 128.512 128.512 124.581 3.931 18292 3605 1 6 . 1 1 84 84 ILE HA H 84 4.230 4.230 4.185 0.045 18292 3606 1 6 . 1 1 84 84 ILE C C 84 173.459 173.459 174.769 -1.310 18292 3607 1 6 . 1 1 84 84 ILE CA C 84 58.832 58.832 59.017 -0.185 18292 3608 1 6 . 1 1 84 84 ILE CB C 84 36.088 36.088 38.949 -2.861 18292 3609 1 6 . 1 1 84 84 ILE H H 84 8.683 8.683 8.766 -0.083 18292 3610 1 6 . 1 1 85 85 THR N N 85 115.456 115.456 115.880 -0.424 18292 3611 1 6 . 1 1 85 85 THR HA H 85 4.825 4.825 3.480 1.345 18292 3612 1 6 . 1 1 85 85 THR CA C 85 56.520 56.520 60.629 -4.109 18292 3613 1 6 . 1 1 85 85 THR CB C 85 68.803 68.803 70.139 -1.336 18292 3614 1 6 . 1 1 85 85 THR H H 85 7.318 7.318 8.033 -0.715 18292 3615 1 6 . 1 1 86 86 ALA N N 86 128.004 128.004 128.227 -0.223 18292 3616 1 6 . 1 1 86 86 ALA HA H 86 5.542 5.542 5.254 0.288 18292 3617 1 6 . 1 1 86 86 ALA C C 86 173.070 173.070 176.211 -3.141 18292 3618 1 6 . 1 1 86 86 ALA CA C 86 47.491 47.491 50.080 -2.589 18292 3619 1 6 . 1 1 86 86 ALA CB C 86 22.241 22.241 20.645 1.596 18292 3620 1 6 . 1 1 86 86 ALA H H 86 10.712 10.712 7.932 2.780 18292 3621 1 6 . 1 1 87 87 ALA N N 87 122.902 122.902 119.249 3.653 18292 3622 1 6 . 1 1 87 87 ALA HA H 87 4.499 4.499 4.740 -0.241 18292 3623 1 6 . 1 1 87 87 ALA C C 87 173.781 173.781 174.903 -1.122 18292 3624 1 6 . 1 1 87 87 ALA CA C 87 47.989 47.989 51.757 -3.768 18292 3625 1 6 . 1 1 87 87 ALA CB C 87 19.981 19.981 21.222 -1.241 18292 3626 1 6 . 1 1 87 87 ALA H H 87 8.413 8.413 8.202 0.211 18292 3627 1 6 . 1 1 88 88 TYR N N 88 120.267 120.267 119.671 0.596 18292 3628 1 6 . 1 1 88 88 TYR HA H 88 4.723 4.723 4.929 -0.206 18292 3629 1 6 . 1 1 88 88 TYR C C 88 173.615 173.615 176.457 -2.842 18292 3630 1 6 . 1 1 88 88 TYR CA C 88 57.556 57.556 57.283 0.273 18292 3631 1 6 . 1 1 88 88 TYR CB C 88 36.474 36.474 39.828 -3.354 18292 3632 1 6 . 1 1 88 88 TYR H H 88 8.311 8.311 8.699 -0.388 18292 3633 1 6 . 1 1 89 89 VAL N N 89 123.298 123.298 120.876 2.422 18292 3634 1 6 . 1 1 89 89 VAL HA H 89 4.696 4.696 4.576 0.120 18292 3635 1 6 . 1 1 89 89 VAL CA C 89 55.899 55.899 59.047 -3.148 18292 3636 1 6 . 1 1 89 89 VAL CB C 89 33.445 33.445 33.582 -0.137 18292 3637 1 6 . 1 1 89 89 VAL H H 89 8.420 8.420 8.521 -0.101 18292 3638 1 6 . 1 1 90 90 PRO HA H 90 4.450 4.450 4.701 -0.251 18292 3639 1 6 . 1 1 90 90 PRO CA C 90 60.310 60.310 62.855 -2.545 18292 3640 1 6 . 1 1 90 90 PRO CB C 90 30.489 30.489 32.094 -1.605 18292 3641 1 6 . 1 1 91 91 LEU N N 91 126.649 126.649 126.193 0.456 18292 3642 1 6 . 1 1 91 91 LEU HA H 91 3.975 3.975 4.312 -0.337 18292 3643 1 6 . 1 1 91 91 LEU CA C 91 56.691 56.691 59.724 -3.033 18292 3644 1 6 . 1 1 91 91 LEU CB C 91 37.139 37.139 39.294 -2.155 18292 3645 1 6 . 1 1 91 91 LEU H H 91 8.997 8.997 8.939 0.058 18292 3646 1 6 . 1 1 92 92 PRO HA H 92 4.211 4.211 4.299 -0.088 18292 3647 1 6 . 1 1 92 92 PRO C C 92 177.175 177.175 177.594 -0.419 18292 3648 1 6 . 1 1 92 92 PRO CA C 92 63.104 63.104 64.874 -1.770 18292 3649 1 6 . 1 1 92 92 PRO CB C 92 27.973 27.973 31.470 -3.497 18292 3650 1 6 . 1 1 93 93 THR N N 93 112.839 112.839 114.561 -1.722 18292 3651 1 6 . 1 1 93 93 THR HA H 93 3.827 3.827 4.358 -0.531 18292 3652 1 6 . 1 1 93 93 THR C C 93 172.669 172.669 175.861 -3.192 18292 3653 1 6 . 1 1 93 93 THR CA C 93 63.096 63.096 65.871 -2.775 18292 3654 1 6 . 1 1 93 93 THR CB C 93 65.968 65.968 69.611 -3.643 18292 3655 1 6 . 1 1 93 93 THR H H 93 6.528 6.528 7.747 -1.219 18292 3656 1 6 . 1 1 94 94 TYR N N 94 125.195 125.195 124.562 0.633 18292 3657 1 6 . 1 1 94 94 TYR HA H 94 3.515 3.515 4.252 -0.737 18292 3658 1 6 . 1 1 94 94 TYR C C 94 174.953 174.953 176.709 -1.756 18292 3659 1 6 . 1 1 94 94 TYR CA C 94 60.012 60.012 59.759 0.253 18292 3660 1 6 . 1 1 94 94 TYR CB C 94 37.588 37.588 38.079 -0.491 18292 3661 1 6 . 1 1 94 94 TYR H H 94 8.263 8.263 8.957 -0.695 18292 3662 1 6 . 1 1 95 95 HIS N N 95 114.994 114.994 116.446 -1.452 18292 3663 1 6 . 1 1 95 95 HIS HA H 95 4.187 4.187 4.009 0.178 18292 3664 1 6 . 1 1 95 95 HIS C C 95 173.780 173.780 177.138 -3.358 18292 3665 1 6 . 1 1 95 95 HIS CA C 95 53.471 53.471 58.121 -4.650 18292 3666 1 6 . 1 1 95 95 HIS CB C 95 26.528 26.528 29.241 -2.713 18292 3667 1 6 . 1 1 95 95 HIS H H 95 8.529 8.529 8.602 -0.073 18292 3668 1 6 . 1 1 96 96 ASN N N 96 116.599 116.599 117.219 -0.620 18292 3669 1 6 . 1 1 96 96 ASN HA H 96 4.315 4.315 4.332 -0.017 18292 3670 1 6 . 1 1 96 96 ASN C C 96 175.849 175.849 176.989 -1.140 18292 3671 1 6 . 1 1 96 96 ASN CA C 96 52.814 52.814 55.163 -2.349 18292 3672 1 6 . 1 1 96 96 ASN CB C 96 36.453 36.453 38.751 -2.298 18292 3673 1 6 . 1 1 96 96 ASN H H 96 7.343 7.343 7.769 -0.426 18292 3674 1 6 . 1 1 97 97 LEU N N 97 119.316 119.316 120.159 -0.843 18292 3675 1 6 . 1 1 97 97 LEU HA H 97 3.406 3.406 4.041 -0.635 18292 3676 1 6 . 1 1 97 97 LEU CA C 97 54.399 54.399 57.828 -3.429 18292 3677 1 6 . 1 1 97 97 LEU CB C 97 39.614 39.614 42.880 -3.266 18292 3678 1 6 . 1 1 97 97 LEU H H 97 7.299 7.299 7.720 -0.421 18292 3679 1 6 . 1 1 98 98 PHE N N 98 113.688 113.688 115.552 -1.864 18292 3680 1 6 . 1 1 98 98 PHE HA H 98 4.696 4.696 4.948 -0.252 18292 3681 1 6 . 1 1 98 98 PHE CA C 98 54.399 54.399 54.992 -0.593 18292 3682 1 6 . 1 1 98 98 PHE CB C 98 35.380 35.380 38.641 -3.261 18292 3683 1 6 . 1 1 98 98 PHE H H 98 7.795 7.795 8.222 -0.427 18292 3684 1 6 . 1 1 99 99 PRO HA H 99 4.430 4.430 4.625 -0.195 18292 3685 1 6 . 1 1 99 99 PRO C C 99 176.469 176.469 176.402 0.067 18292 3686 1 6 . 1 1 99 99 PRO CA C 99 63.174 63.174 64.314 -1.140 18292 3687 1 6 . 1 1 99 99 PRO CB C 99 28.822 28.822 31.952 -3.130 18292 3688 1 6 . 1 1 100 100 ASP N N 100 115.482 115.482 117.380 -1.898 18292 3689 1 6 . 1 1 100 100 ASP HA H 100 4.306 4.306 4.636 -0.330 18292 3690 1 6 . 1 1 100 100 ASP C C 100 174.886 174.886 177.787 -2.901 18292 3691 1 6 . 1 1 100 100 ASP CA C 100 53.064 53.064 56.133 -3.069 18292 3692 1 6 . 1 1 100 100 ASP CB C 100 36.736 36.736 41.384 -4.648 18292 3693 1 6 . 1 1 100 100 ASP H H 100 8.897 8.897 8.456 0.441 18292 3694 1 6 . 1 1 101 101 SER N N 101 114.743 114.743 115.900 -1.157 18292 3695 1 6 . 1 1 101 101 SER HA H 101 3.876 3.876 4.132 -0.256 18292 3696 1 6 . 1 1 101 101 SER C C 101 173.539 173.539 176.485 -2.946 18292 3697 1 6 . 1 1 101 101 SER CA C 101 58.183 58.183 61.291 -3.108 18292 3698 1 6 . 1 1 101 101 SER CB C 101 61.403 61.403 62.295 -0.892 18292 3699 1 6 . 1 1 101 101 SER H H 101 8.057 8.057 7.741 0.316 18292 3700 1 6 . 1 1 102 102 MET N N 102 122.103 122.103 118.988 3.115 18292 3701 1 6 . 1 1 102 102 MET HA H 102 3.340 3.340 4.315 -0.975 18292 3702 1 6 . 1 1 102 102 MET C C 102 174.488 174.488 177.490 -3.002 18292 3703 1 6 . 1 1 102 102 MET CA C 102 56.606 56.606 57.911 -1.305 18292 3704 1 6 . 1 1 102 102 MET CB C 102 31.312 31.312 32.133 -0.821 18292 3705 1 6 . 1 1 102 102 MET H H 102 7.319 7.319 7.853 -0.534 18292 3706 1 6 . 1 1 103 103 THR N N 103 104.780 104.780 109.635 -4.855 18292 3707 1 6 . 1 1 103 103 THR HA H 103 4.318 4.318 4.355 -0.037 18292 3708 1 6 . 1 1 103 103 THR C C 103 171.121 171.121 174.943 -3.822 18292 3709 1 6 . 1 1 103 103 THR CA C 103 57.203 57.203 61.563 -4.360 18292 3710 1 6 . 1 1 103 103 THR CB C 103 65.753 65.753 69.138 -3.385 18292 3711 1 6 . 1 1 103 103 THR H H 103 7.216 7.216 7.792 -0.576 18292 3712 1 6 . 1 1 104 104 ALA N N 104 125.795 125.795 125.753 0.042 18292 3713 1 6 . 1 1 104 104 ALA HA H 104 4.347 4.347 4.318 0.029 18292 3714 1 6 . 1 1 104 104 ALA C C 104 174.370 174.370 177.588 -3.218 18292 3715 1 6 . 1 1 104 104 ALA CA C 104 50.244 50.244 52.524 -2.280 18292 3716 1 6 . 1 1 104 104 ALA CB C 104 16.077 16.077 18.538 -2.461 18292 3717 1 6 . 1 1 104 104 ALA H H 104 6.605 6.605 7.302 -0.697 18292 3718 1 6 . 1 1 105 105 THR N N 105 111.482 111.482 116.225 -4.743 18292 3719 1 6 . 1 1 105 105 THR HA H 105 4.390 4.390 4.266 0.124 18292 3720 1 6 . 1 1 105 105 THR C C 105 171.563 171.563 174.322 -2.759 18292 3721 1 6 . 1 1 105 105 THR CA C 105 58.977 58.977 62.474 -3.497 18292 3722 1 6 . 1 1 105 105 THR CB C 105 68.537 68.537 69.239 -0.702 18292 3723 1 6 . 1 1 105 105 THR H H 105 8.698 8.698 8.107 0.591 18292 3724 1 6 . 1 1 106 106 GLN N N 106 123.003 123.003 121.241 1.762 18292 3725 1 6 . 1 1 106 106 GLN HA H 106 4.294 4.294 4.464 -0.170 18292 3726 1 6 . 1 1 106 106 GLN C C 106 172.973 172.973 175.170 -2.197 18292 3727 1 6 . 1 1 106 106 GLN CA C 106 52.710 52.710 54.589 -1.879 18292 3728 1 6 . 1 1 106 106 GLN CB C 106 27.282 27.282 29.223 -1.941 18292 3729 1 6 . 1 1 106 106 GLN H H 106 7.944 7.944 7.716 0.228 18292 3730 1 6 . 1 1 107 107 LEU N N 107 124.765 124.765 124.503 0.262 18292 3731 1 6 . 1 1 107 107 LEU HA H 107 4.328 4.328 4.462 -0.134 18292 3732 1 6 . 1 1 107 107 LEU C C 107 174.110 174.110 177.404 -3.294 18292 3733 1 6 . 1 1 107 107 LEU CA C 107 52.798 52.798 55.243 -2.445 18292 3734 1 6 . 1 1 107 107 LEU CB C 107 37.829 37.829 42.294 -4.465 18292 3735 1 6 . 1 1 107 107 LEU H H 107 8.390 8.390 8.569 -0.179 18292 3736 1 6 . 1 1 108 108 LEU N N 108 122.332 122.332 123.184 -0.852 18292 3737 1 6 . 1 1 108 108 LEU HA H 108 4.259 4.259 4.481 -0.222 18292 3738 1 6 . 1 1 108 108 LEU C C 108 173.870 173.870 176.153 -2.283 18292 3739 1 6 . 1 1 108 108 LEU CA C 108 52.092 52.092 53.993 -1.901 18292 3740 1 6 . 1 1 108 108 LEU CB C 108 39.253 39.253 43.111 -3.858 18292 3741 1 6 . 1 1 108 108 LEU H H 108 8.480 8.480 8.754 -0.274 18292 3742 1 6 . 1 1 109 109 VAL N N 109 115.421 115.421 117.198 -1.777 18292 3743 1 6 . 1 1 109 109 VAL HA H 109 4.444 4.444 4.575 -0.131 18292 3744 1 6 . 1 1 109 109 VAL CA C 109 55.640 55.640 58.213 -2.573 18292 3745 1 6 . 1 1 109 109 VAL CB C 109 31.153 31.153 32.288 -1.135 18292 3746 1 6 . 1 1 109 109 VAL H H 109 8.007 8.007 8.031 -0.024 18292 3747 1 6 . 1 1 110 110 PRO HA H 110 4.361 4.361 4.702 -0.341 18292 3748 1 6 . 1 1 110 110 PRO C C 110 173.778 173.778 176.355 -2.577 18292 3749 1 6 . 1 1 110 110 PRO CA C 110 59.737 59.737 62.362 -2.626 18292 3750 1 6 . 1 1 110 110 PRO CB C 110 29.710 29.710 32.919 -3.209 18292 3751 1 6 . 1 1 111 111 SER N N 111 120.434 120.434 114.450 5.984 18292 3752 1 6 . 1 1 111 111 SER HA H 111 4.139 4.139 4.557 -0.418 18292 3753 1 6 . 1 1 111 111 SER C C 111 172.475 172.475 173.771 -1.296 18292 3754 1 6 . 1 1 111 111 SER CA C 111 57.674 57.674 58.945 -1.271 18292 3755 1 6 . 1 1 111 111 SER CB C 111 60.580 60.580 64.888 -4.308 18292 3756 1 6 . 1 1 111 111 SER H H 111 9.945 9.945 8.748 1.197 18292 3757 1 6 . 1 1 112 112 ARG N N 112 121.013 121.013 121.705 -0.692 18292 3758 1 6 . 1 1 112 112 ARG HA H 112 4.253 4.253 4.484 -0.231 18292 3759 1 6 . 1 1 112 112 ARG C C 112 172.216 172.216 174.335 -2.119 18292 3760 1 6 . 1 1 112 112 ARG CA C 112 53.071 53.071 56.035 -2.964 18292 3761 1 6 . 1 1 112 112 ARG CB C 112 27.963 27.963 31.655 -3.692 18292 3762 1 6 . 1 1 112 112 ARG H H 112 7.861 7.861 8.180 -0.319 18292 3763 1 7 . 1 1 2 2 GLN N N 2 125.719 125.719 122.143 3.576 18292 3764 1 7 . 1 1 2 2 GLN HA H 2 4.571 4.571 4.756 -0.185 18292 3765 1 7 . 1 1 2 2 GLN CA C 2 50.502 50.502 53.989 -3.487 18292 3766 1 7 . 1 1 2 2 GLN CB C 2 26.254 26.254 30.061 -3.807 18292 3767 1 7 . 1 1 2 2 GLN H H 2 8.471 8.471 8.120 0.351 18292 3768 1 7 . 1 1 3 3 PRO HA H 3 4.311 4.311 4.360 -0.049 18292 3769 1 7 . 1 1 3 3 PRO C C 3 173.634 173.634 175.705 -2.071 18292 3770 1 7 . 1 1 3 3 PRO CA C 3 60.349 60.349 63.032 -2.683 18292 3771 1 7 . 1 1 3 3 PRO CB C 3 29.678 29.678 31.174 -1.496 18292 3772 1 7 . 1 1 4 4 LEU N N 4 122.253 122.253 127.123 -4.870 18292 3773 1 7 . 1 1 4 4 LEU HA H 4 4.133 4.133 4.512 -0.379 18292 3774 1 7 . 1 1 4 4 LEU C C 4 172.946 172.946 175.607 -2.661 18292 3775 1 7 . 1 1 4 4 LEU CA C 4 51.900 51.900 54.111 -2.212 18292 3776 1 7 . 1 1 4 4 LEU CB C 4 39.711 39.711 41.782 -2.071 18292 3777 1 7 . 1 1 4 4 LEU H H 4 7.912 7.912 7.700 0.212 18292 3778 1 7 . 1 1 5 5 ALA N N 5 122.619 122.619 127.963 -5.344 18292 3779 1 7 . 1 1 5 5 ALA HA H 5 2.385 2.385 4.348 -1.963 18292 3780 1 7 . 1 1 5 5 ALA C C 5 174.164 174.164 176.817 -2.653 18292 3781 1 7 . 1 1 5 5 ALA CA C 5 49.205 49.205 53.002 -3.797 18292 3782 1 7 . 1 1 5 5 ALA CB C 5 17.058 17.058 18.701 -1.643 18292 3783 1 7 . 1 1 5 5 ALA H H 5 7.415 7.415 8.555 -1.140 18292 3784 1 7 . 1 1 6 6 THR N N 6 112.768 112.768 115.083 -2.315 18292 3785 1 7 . 1 1 6 6 THR HA H 6 4.393 4.393 4.579 -0.186 18292 3786 1 7 . 1 1 6 6 THR C C 6 168.908 168.908 174.181 -5.273 18292 3787 1 7 . 1 1 6 6 THR CA C 6 56.371 56.371 60.479 -4.108 18292 3788 1 7 . 1 1 6 6 THR CB C 6 68.874 68.874 71.705 -2.831 18292 3789 1 7 . 1 1 6 6 THR H H 6 6.601 6.601 7.973 -1.372 18292 3790 1 7 . 1 1 7 7 GLN N N 7 111.707 111.707 118.633 -6.926 18292 3791 1 7 . 1 1 7 7 GLN HA H 7 4.344 4.344 4.261 0.083 18292 3792 1 7 . 1 1 7 7 GLN C C 7 171.068 171.068 174.971 -3.903 18292 3793 1 7 . 1 1 7 7 GLN CA C 7 53.795 53.795 57.288 -3.493 18292 3794 1 7 . 1 1 7 7 GLN CB C 7 28.252 28.252 28.409 -0.157 18292 3795 1 7 . 1 1 7 7 GLN H H 7 8.547 8.547 8.734 -0.187 18292 3796 1 7 . 1 1 8 8 CYS N N 8 118.669 118.669 117.479 1.190 18292 3797 1 7 . 1 1 8 8 CYS HA H 8 5.389 5.389 5.200 0.189 18292 3798 1 7 . 1 1 8 8 CYS C C 8 171.026 171.026 173.890 -2.864 18292 3799 1 7 . 1 1 8 8 CYS CA C 8 53.652 53.652 57.859 -4.207 18292 3800 1 7 . 1 1 8 8 CYS CB C 8 29.416 29.416 31.072 -1.656 18292 3801 1 7 . 1 1 8 8 CYS H H 8 8.558 8.558 7.669 0.889 18292 3802 1 7 . 1 1 9 9 PHE N N 9 117.117 117.117 118.922 -1.805 18292 3803 1 7 . 1 1 9 9 PHE HA H 9 5.369 5.369 5.573 -0.204 18292 3804 1 7 . 1 1 9 9 PHE C C 9 168.313 168.313 172.846 -4.533 18292 3805 1 7 . 1 1 9 9 PHE CA C 9 53.341 53.341 55.682 -2.341 18292 3806 1 7 . 1 1 9 9 PHE CB C 9 39.008 39.008 42.177 -3.169 18292 3807 1 7 . 1 1 9 9 PHE H H 9 9.533 9.533 9.063 0.470 18292 3808 1 7 . 1 1 10 10 GLN N N 10 118.344 118.344 116.267 2.077 18292 3809 1 7 . 1 1 10 10 GLN HA H 10 5.063 5.063 5.189 -0.126 18292 3810 1 7 . 1 1 10 10 GLN C C 10 173.280 173.280 174.267 -0.987 18292 3811 1 7 . 1 1 10 10 GLN CA C 10 50.242 50.242 53.888 -3.646 18292 3812 1 7 . 1 1 10 10 GLN CB C 10 30.263 30.263 32.727 -2.464 18292 3813 1 7 . 1 1 10 10 GLN H H 10 9.299 9.299 9.124 0.175 18292 3814 1 7 . 1 1 11 11 LEU N N 11 128.664 128.664 121.299 7.365 18292 3815 1 7 . 1 1 11 11 LEU HA H 11 5.474 5.474 5.052 0.422 18292 3816 1 7 . 1 1 11 11 LEU C C 11 173.987 173.987 177.345 -3.358 18292 3817 1 7 . 1 1 11 11 LEU CA C 11 50.153 50.153 53.756 -3.603 18292 3818 1 7 . 1 1 11 11 LEU CB C 11 41.779 41.779 44.169 -2.390 18292 3819 1 7 . 1 1 11 11 LEU H H 11 9.679 9.679 8.564 1.115 18292 3820 1 7 . 1 1 12 12 SER N N 12 115.661 115.661 114.056 1.605 18292 3821 1 7 . 1 1 12 12 SER HA H 12 4.877 4.877 4.734 0.143 18292 3822 1 7 . 1 1 12 12 SER C C 12 170.086 170.086 172.983 -2.897 18292 3823 1 7 . 1 1 12 12 SER CA C 12 54.698 54.698 58.133 -3.435 18292 3824 1 7 . 1 1 12 12 SER CB C 12 63.054 63.054 63.436 -0.382 18292 3825 1 7 . 1 1 12 12 SER H H 12 8.717 8.717 8.333 0.384 18292 3826 1 7 . 1 1 13 13 ASN N N 13 114.812 114.812 118.198 -3.386 18292 3827 1 7 . 1 1 13 13 ASN HA H 13 4.165 4.165 4.610 -0.445 18292 3828 1 7 . 1 1 13 13 ASN C C 13 171.867 171.867 174.452 -2.585 18292 3829 1 7 . 1 1 13 13 ASN CA C 13 51.269 51.269 53.460 -2.191 18292 3830 1 7 . 1 1 13 13 ASN CB C 13 34.988 34.988 40.164 -5.176 18292 3831 1 7 . 1 1 13 13 ASN H H 13 8.563 8.563 8.033 0.530 18292 3832 1 7 . 1 1 14 14 MET N N 14 113.100 113.100 118.892 -5.792 18292 3833 1 7 . 1 1 14 14 MET HA H 14 4.258 4.258 4.046 0.212 18292 3834 1 7 . 1 1 14 14 MET C C 14 171.935 171.935 175.024 -3.089 18292 3835 1 7 . 1 1 14 14 MET CA C 14 53.020 53.020 55.391 -2.370 18292 3836 1 7 . 1 1 14 14 MET CB C 14 29.746 29.746 32.568 -2.822 18292 3837 1 7 . 1 1 14 14 MET H H 14 8.261 8.261 8.061 0.200 18292 3838 1 7 . 1 1 15 15 PHE N N 15 108.769 108.769 110.043 -1.274 18292 3839 1 7 . 1 1 15 15 PHE HA H 15 4.485 4.485 4.666 -0.181 18292 3840 1 7 . 1 1 15 15 PHE C C 15 170.024 170.024 173.290 -3.266 18292 3841 1 7 . 1 1 15 15 PHE CA C 15 53.080 53.080 55.711 -2.631 18292 3842 1 7 . 1 1 15 15 PHE CB C 15 36.300 36.300 39.485 -3.185 18292 3843 1 7 . 1 1 15 15 PHE H H 15 6.804 6.804 6.729 0.075 18292 3844 1 7 . 1 1 16 16 ASN N N 16 117.922 117.922 118.103 -0.181 18292 3845 1 7 . 1 1 16 16 ASN HA H 16 4.932 4.932 5.229 -0.297 18292 3846 1 7 . 1 1 16 16 ASN CA C 16 47.510 47.510 50.866 -3.356 18292 3847 1 7 . 1 1 16 16 ASN CB C 16 36.512 36.512 41.153 -4.641 18292 3848 1 7 . 1 1 16 16 ASN H H 16 8.681 8.681 8.881 -0.200 18292 3849 1 7 . 1 1 17 17 PRO HA H 17 4.102 4.102 4.517 -0.415 18292 3850 1 7 . 1 1 17 17 PRO C C 17 174.773 174.773 176.720 -1.947 18292 3851 1 7 . 1 1 17 17 PRO CA C 17 61.933 61.933 64.413 -2.480 18292 3852 1 7 . 1 1 17 17 PRO CB C 17 29.557 29.557 32.300 -2.743 18292 3853 1 7 . 1 1 18 18 GLN N N 18 116.462 116.462 117.220 -0.758 18292 3854 1 7 . 1 1 18 18 GLN HA H 18 4.146 4.146 4.357 -0.211 18292 3855 1 7 . 1 1 18 18 GLN C C 18 174.423 174.423 175.860 -1.437 18292 3856 1 7 . 1 1 18 18 GLN CA C 18 54.067 54.067 55.874 -1.807 18292 3857 1 7 . 1 1 18 18 GLN CB C 18 26.326 26.326 29.401 -3.075 18292 3858 1 7 . 1 1 18 18 GLN H H 18 7.934 7.934 8.090 -0.156 18292 3859 1 7 . 1 1 19 19 THR N N 19 112.362 112.362 116.274 -3.912 18292 3860 1 7 . 1 1 19 19 THR HA H 19 4.176 4.176 4.432 -0.256 18292 3861 1 7 . 1 1 19 19 THR C C 19 171.908 171.908 172.878 -0.970 18292 3862 1 7 . 1 1 19 19 THR CA C 19 59.509 59.509 61.736 -2.227 18292 3863 1 7 . 1 1 19 19 THR CB C 19 66.360 66.360 69.037 -2.677 18292 3864 1 7 . 1 1 19 19 THR H H 19 7.723 7.723 7.629 0.094 18292 3865 1 7 . 1 1 20 20 GLU N N 20 120.326 120.326 122.200 -1.874 18292 3866 1 7 . 1 1 20 20 GLU HA H 20 3.658 3.658 3.912 -0.254 18292 3867 1 7 . 1 1 20 20 GLU C C 20 173.311 173.311 174.834 -1.523 18292 3868 1 7 . 1 1 20 20 GLU CA C 20 53.164 53.164 55.181 -2.018 18292 3869 1 7 . 1 1 20 20 GLU CB C 20 25.837 25.837 31.206 -5.369 18292 3870 1 7 . 1 1 20 20 GLU H H 20 7.312 7.312 8.265 -0.953 18292 3871 1 7 . 1 1 21 21 GLU N N 21 120.796 120.796 119.792 1.004 18292 3872 1 7 . 1 1 21 21 GLU HA H 21 4.162 4.162 4.501 -0.339 18292 3873 1 7 . 1 1 21 21 GLU C C 21 173.747 173.747 174.916 -1.169 18292 3874 1 7 . 1 1 21 21 GLU CA C 21 53.873 53.873 55.172 -1.299 18292 3875 1 7 . 1 1 21 21 GLU CB C 21 28.445 28.445 33.115 -4.670 18292 3876 1 7 . 1 1 21 21 GLU H H 21 8.011 8.011 7.911 0.100 18292 3877 1 7 . 1 1 22 22 GLU N N 22 121.370 121.370 119.966 1.404 18292 3878 1 7 . 1 1 22 22 GLU HA H 22 4.393 4.393 4.359 0.034 18292 3879 1 7 . 1 1 22 22 GLU C C 22 173.536 173.536 176.938 -3.402 18292 3880 1 7 . 1 1 22 22 GLU CA C 22 52.982 52.982 56.231 -3.249 18292 3881 1 7 . 1 1 22 22 GLU CB C 22 28.012 28.012 30.341 -2.329 18292 3882 1 7 . 1 1 22 22 GLU H H 22 8.039 8.039 8.594 -0.555 18292 3883 1 7 . 1 1 23 23 VAL N N 23 123.340 123.340 121.146 2.194 18292 3884 1 7 . 1 1 23 23 VAL HA H 23 3.901 3.901 3.830 0.071 18292 3885 1 7 . 1 1 23 23 VAL C C 23 175.077 175.077 175.860 -0.783 18292 3886 1 7 . 1 1 23 23 VAL CA C 23 61.540 61.540 64.187 -2.647 18292 3887 1 7 . 1 1 23 23 VAL CB C 23 29.361 29.361 28.923 0.438 18292 3888 1 7 . 1 1 23 23 VAL H H 23 8.447 8.447 8.527 -0.080 18292 3889 1 7 . 1 1 24 24 GLY N N 24 114.476 114.476 114.763 -0.287 18292 3890 1 7 . 1 1 24 24 GLY C C 24 173.717 173.717 175.030 -1.313 18292 3891 1 7 . 1 1 24 24 GLY CA C 24 42.667 42.667 45.833 -3.166 18292 3892 1 7 . 1 1 24 24 GLY H H 24 9.087 9.087 8.564 0.523 18292 3893 1 7 . 1 1 25 25 TRP N N 25 121.382 121.382 121.574 -0.192 18292 3894 1 7 . 1 1 25 25 TRP HA H 25 4.214 4.214 4.948 -0.734 18292 3895 1 7 . 1 1 25 25 TRP C C 25 174.056 174.056 175.590 -1.534 18292 3896 1 7 . 1 1 25 25 TRP CA C 25 56.093 56.093 58.556 -2.463 18292 3897 1 7 . 1 1 25 25 TRP CB C 25 25.016 25.016 28.741 -3.725 18292 3898 1 7 . 1 1 26 26 ASP N N 26 118.789 118.789 120.221 -1.432 18292 3899 1 7 . 1 1 26 26 ASP HA H 26 3.261 3.261 4.186 -0.925 18292 3900 1 7 . 1 1 26 26 ASP C C 26 174.709 174.709 177.397 -2.688 18292 3901 1 7 . 1 1 26 26 ASP CA C 26 52.705 52.705 55.377 -2.672 18292 3902 1 7 . 1 1 26 26 ASP CB C 26 34.503 34.503 39.669 -5.166 18292 3903 1 7 . 1 1 26 26 ASP H H 26 7.939 7.939 7.744 0.195 18292 3904 1 7 . 1 1 27 27 THR N N 27 118.934 118.934 117.473 1.461 18292 3905 1 7 . 1 1 27 27 THR HA H 27 3.552 3.552 3.974 -0.422 18292 3906 1 7 . 1 1 27 27 THR C C 27 172.390 172.390 176.170 -3.780 18292 3907 1 7 . 1 1 27 27 THR CA C 27 63.307 63.307 67.120 -3.813 18292 3908 1 7 . 1 1 27 27 THR CB C 27 65.331 65.331 69.077 -3.746 18292 3909 1 7 . 1 1 27 27 THR H H 27 7.103 7.103 8.350 -1.247 18292 3910 1 7 . 1 1 28 28 GLU N N 28 120.484 120.484 121.471 -0.987 18292 3911 1 7 . 1 1 28 28 GLU HA H 28 3.978 3.978 4.111 -0.133 18292 3912 1 7 . 1 1 28 28 GLU C C 28 175.447 175.447 178.603 -3.156 18292 3913 1 7 . 1 1 28 28 GLU CA C 28 56.760 56.760 59.079 -2.319 18292 3914 1 7 . 1 1 28 28 GLU CB C 28 26.418 26.418 28.908 -2.490 18292 3915 1 7 . 1 1 28 28 GLU H H 28 7.473 7.473 8.013 -0.540 18292 3916 1 7 . 1 1 29 29 ILE N N 29 116.961 116.961 119.859 -2.898 18292 3917 1 7 . 1 1 29 29 ILE HA H 29 3.773 3.773 3.871 -0.098 18292 3918 1 7 . 1 1 29 29 ILE C C 29 174.605 174.605 178.009 -3.404 18292 3919 1 7 . 1 1 29 29 ILE CA C 29 61.243 61.243 64.434 -3.191 18292 3920 1 7 . 1 1 29 29 ILE CB C 29 35.267 35.267 38.073 -2.806 18292 3921 1 7 . 1 1 29 29 ILE H H 29 7.113 7.113 8.154 -1.041 18292 3922 1 7 . 1 1 30 30 LYS N N 30 118.457 118.457 120.174 -1.717 18292 3923 1 7 . 1 1 30 30 LYS HA H 30 3.430 3.430 4.023 -0.593 18292 3924 1 7 . 1 1 30 30 LYS C C 30 174.886 174.886 178.235 -3.349 18292 3925 1 7 . 1 1 30 30 LYS CA C 30 57.872 57.872 59.391 -1.519 18292 3926 1 7 . 1 1 30 30 LYS CB C 30 29.680 29.680 32.126 -2.446 18292 3927 1 7 . 1 1 30 30 LYS H H 30 7.480 7.480 7.421 0.059 18292 3928 1 7 . 1 1 31 31 ASP N N 31 118.630 118.630 120.194 -1.564 18292 3929 1 7 . 1 1 31 31 ASP HA H 31 4.233 4.233 4.290 -0.057 18292 3930 1 7 . 1 1 31 31 ASP C C 31 175.558 175.558 178.063 -2.505 18292 3931 1 7 . 1 1 31 31 ASP CA C 31 55.137 55.137 57.692 -2.555 18292 3932 1 7 . 1 1 31 31 ASP CB C 31 36.829 36.829 40.719 -3.890 18292 3933 1 7 . 1 1 31 31 ASP H H 31 8.334 8.334 7.913 0.421 18292 3934 1 7 . 1 1 32 32 ASP N N 32 120.576 120.576 120.034 0.542 18292 3935 1 7 . 1 1 32 32 ASP HA H 32 4.277 4.277 4.420 -0.143 18292 3936 1 7 . 1 1 32 32 ASP C C 32 176.966 176.966 178.999 -2.033 18292 3937 1 7 . 1 1 32 32 ASP CA C 32 54.829 54.829 57.418 -2.589 18292 3938 1 7 . 1 1 32 32 ASP CB C 32 37.331 37.331 40.667 -3.336 18292 3939 1 7 . 1 1 32 32 ASP H H 32 8.189 8.189 7.802 0.387 18292 3940 1 7 . 1 1 33 33 VAL N N 33 121.083 121.083 117.597 3.486 18292 3941 1 7 . 1 1 33 33 VAL HA H 33 3.444 3.444 3.806 -0.362 18292 3942 1 7 . 1 1 33 33 VAL C C 33 175.529 175.529 177.969 -2.440 18292 3943 1 7 . 1 1 33 33 VAL CA C 33 64.511 64.511 65.365 -0.854 18292 3944 1 7 . 1 1 33 33 VAL CB C 33 28.920 28.920 31.898 -2.978 18292 3945 1 7 . 1 1 33 33 VAL H H 33 8.069 8.069 7.575 0.494 18292 3946 1 7 . 1 1 34 34 ILE N N 34 122.145 122.145 121.095 1.050 18292 3947 1 7 . 1 1 34 34 ILE HA H 34 3.272 3.272 3.711 -0.439 18292 3948 1 7 . 1 1 34 34 ILE C C 34 174.723 174.723 177.889 -3.166 18292 3949 1 7 . 1 1 34 34 ILE CA C 34 63.723 63.723 65.151 -1.428 18292 3950 1 7 . 1 1 34 34 ILE CB C 34 35.949 35.949 37.713 -1.764 18292 3951 1 7 . 1 1 34 34 ILE H H 34 8.887 8.887 7.581 1.306 18292 3952 1 7 . 1 1 35 35 GLU N N 35 117.927 117.927 119.796 -1.869 18292 3953 1 7 . 1 1 35 35 GLU HA H 35 3.830 3.830 3.971 -0.141 18292 3954 1 7 . 1 1 35 35 GLU C C 35 176.747 176.747 179.382 -2.635 18292 3955 1 7 . 1 1 35 35 GLU CA C 35 57.183 57.183 59.882 -2.699 18292 3956 1 7 . 1 1 35 35 GLU CB C 35 26.969 26.969 29.180 -2.211 18292 3957 1 7 . 1 1 35 35 GLU H H 35 8.565 8.565 8.517 0.048 18292 3958 1 7 . 1 1 36 36 GLU N N 36 117.299 117.299 120.050 -2.751 18292 3959 1 7 . 1 1 36 36 GLU HA H 36 4.012 4.012 4.171 -0.159 18292 3960 1 7 . 1 1 36 36 GLU C C 36 176.604 176.604 179.489 -2.885 18292 3961 1 7 . 1 1 36 36 GLU CA C 36 56.357 56.357 59.517 -3.160 18292 3962 1 7 . 1 1 36 36 GLU CB C 36 26.612 26.612 29.597 -2.985 18292 3963 1 7 . 1 1 36 36 GLU H H 36 7.523 7.523 8.153 -0.630 18292 3964 1 7 . 1 1 37 37 CYS N N 37 116.308 116.308 118.316 -2.008 18292 3965 1 7 . 1 1 37 37 CYS HA H 37 4.141 4.141 4.247 -0.106 18292 3966 1 7 . 1 1 37 37 CYS C C 37 175.888 175.888 176.557 -0.669 18292 3967 1 7 . 1 1 37 37 CYS CA C 37 61.915 61.915 64.098 -2.183 18292 3968 1 7 . 1 1 37 37 CYS CB C 37 24.513 24.513 27.554 -3.041 18292 3969 1 7 . 1 1 37 37 CYS H H 37 8.754 8.754 8.453 0.301 18292 3970 1 7 . 1 1 38 38 ASN N N 38 121.598 121.598 116.497 5.101 18292 3971 1 7 . 1 1 38 38 ASN HA H 38 4.452 4.452 4.549 -0.097 18292 3972 1 7 . 1 1 38 38 ASN C C 38 174.340 174.340 176.244 -1.904 18292 3973 1 7 . 1 1 38 38 ASN CA C 38 52.249 52.249 55.849 -3.600 18292 3974 1 7 . 1 1 38 38 ASN CB C 38 34.488 34.488 38.618 -4.130 18292 3975 1 7 . 1 1 38 38 ASN H H 38 8.800 8.800 8.437 0.363 18292 3976 1 7 . 1 1 39 39 LYS N N 39 119.297 119.297 116.003 3.294 18292 3977 1 7 . 1 1 39 39 LYS HA H 39 4.002 4.002 4.178 -0.176 18292 3978 1 7 . 1 1 39 39 LYS C C 39 174.388 174.388 176.880 -2.492 18292 3979 1 7 . 1 1 39 39 LYS CA C 39 55.239 55.239 57.406 -2.167 18292 3980 1 7 . 1 1 39 39 LYS CB C 39 29.477 29.477 32.338 -2.861 18292 3981 1 7 . 1 1 39 39 LYS H H 39 7.427 7.427 7.750 -0.323 18292 3982 1 7 . 1 1 40 40 HIS N N 40 114.421 114.421 116.013 -1.592 18292 3983 1 7 . 1 1 40 40 HIS HA H 40 4.896 4.896 4.804 0.092 18292 3984 1 7 . 1 1 40 40 HIS C C 40 171.895 171.895 175.431 -3.536 18292 3985 1 7 . 1 1 40 40 HIS CA C 40 51.758 51.758 56.191 -4.434 18292 3986 1 7 . 1 1 40 40 HIS CB C 40 28.775 28.775 32.077 -3.302 18292 3987 1 7 . 1 1 40 40 HIS H H 40 7.453 7.453 7.551 -0.098 18292 3988 1 7 . 1 1 41 41 GLY N N 41 106.587 106.587 106.467 0.120 18292 3989 1 7 . 1 1 41 41 GLY C C 41 171.376 171.376 173.935 -2.559 18292 3990 1 7 . 1 1 41 41 GLY CA C 41 42.388 42.388 45.090 -2.702 18292 3991 1 7 . 1 1 41 41 GLY H H 41 7.599 7.599 8.441 -0.842 18292 3992 1 7 . 1 1 42 42 GLY N N 42 107.066 107.066 107.695 -0.629 18292 3993 1 7 . 1 1 42 42 GLY C C 42 169.120 169.120 172.155 -3.035 18292 3994 1 7 . 1 1 42 42 GLY CA C 42 41.518 41.518 44.910 -3.392 18292 3995 1 7 . 1 1 42 42 GLY H H 42 7.942 7.942 8.123 -0.181 18292 3996 1 7 . 1 1 43 43 VAL N N 43 114.640 114.640 119.569 -4.929 18292 3997 1 7 . 1 1 43 43 VAL HA H 43 4.527 4.527 4.647 -0.120 18292 3998 1 7 . 1 1 43 43 VAL C C 43 169.861 169.861 174.526 -4.665 18292 3999 1 7 . 1 1 43 43 VAL CA C 43 58.404 58.404 59.943 -1.538 18292 4000 1 7 . 1 1 43 43 VAL CB C 43 31.692 31.692 35.395 -3.703 18292 4001 1 7 . 1 1 43 43 VAL H H 43 8.679 8.679 8.512 0.167 18292 4002 1 7 . 1 1 44 44 ILE N N 44 115.792 115.792 122.205 -6.413 18292 4003 1 7 . 1 1 44 44 ILE HA H 44 4.918 4.918 4.998 -0.080 18292 4004 1 7 . 1 1 44 44 ILE C C 44 172.246 172.246 174.741 -2.495 18292 4005 1 7 . 1 1 44 44 ILE CA C 44 57.770 57.770 60.442 -2.672 18292 4006 1 7 . 1 1 44 44 ILE CB C 44 37.197 37.197 39.515 -2.318 18292 4007 1 7 . 1 1 44 44 ILE H H 44 8.587 8.587 8.605 -0.018 18292 4008 1 7 . 1 1 45 45 HIS N N 45 122.684 122.684 117.713 4.971 18292 4009 1 7 . 1 1 45 45 HIS HA H 45 4.426 4.426 4.780 -0.354 18292 4010 1 7 . 1 1 45 45 HIS C C 45 168.452 168.452 173.114 -4.662 18292 4011 1 7 . 1 1 45 45 HIS CA C 45 55.548 55.548 56.081 -0.533 18292 4012 1 7 . 1 1 45 45 HIS CB C 45 31.632 31.632 33.953 -2.321 18292 4013 1 7 . 1 1 45 45 HIS H H 45 7.791 7.791 7.680 0.111 18292 4014 1 7 . 1 1 46 46 ILE N N 46 123.917 123.917 124.557 -0.640 18292 4015 1 7 . 1 1 46 46 ILE HA H 46 5.120 5.120 4.832 0.288 18292 4016 1 7 . 1 1 46 46 ILE C C 46 170.171 170.171 173.630 -3.459 18292 4017 1 7 . 1 1 46 46 ILE CA C 46 56.063 56.063 60.007 -3.944 18292 4018 1 7 . 1 1 46 46 ILE CB C 46 39.753 39.753 42.334 -2.580 18292 4019 1 7 . 1 1 46 46 ILE H H 46 7.391 7.391 8.250 -0.859 18292 4020 1 7 . 1 1 47 47 TYR N N 47 125.750 125.750 128.084 -2.334 18292 4021 1 7 . 1 1 47 47 TYR HA H 47 4.370 4.370 4.762 -0.392 18292 4022 1 7 . 1 1 47 47 TYR C C 47 171.029 171.029 173.124 -2.095 18292 4023 1 7 . 1 1 47 47 TYR CA C 47 54.800 54.800 57.767 -2.967 18292 4024 1 7 . 1 1 47 47 TYR CB C 47 39.851 39.851 40.790 -0.939 18292 4025 1 7 . 1 1 47 47 TYR H H 47 9.055 9.055 8.668 0.387 18292 4026 1 7 . 1 1 48 48 VAL N N 48 129.720 129.720 129.033 0.687 18292 4027 1 7 . 1 1 48 48 VAL HA H 48 3.869 3.869 3.857 0.012 18292 4028 1 7 . 1 1 48 48 VAL C C 48 170.949 170.949 174.431 -3.482 18292 4029 1 7 . 1 1 48 48 VAL CA C 48 59.328 59.328 62.608 -3.280 18292 4030 1 7 . 1 1 48 48 VAL CB C 48 29.022 29.022 32.131 -3.109 18292 4031 1 7 . 1 1 48 48 VAL H H 48 8.290 8.290 8.524 -0.234 18292 4032 1 7 . 1 1 49 49 ASP N N 49 125.287 125.287 128.224 -2.937 18292 4033 1 7 . 1 1 49 49 ASP HA H 49 4.703 4.703 4.538 0.165 18292 4034 1 7 . 1 1 49 49 ASP C C 49 173.851 173.851 176.621 -2.770 18292 4035 1 7 . 1 1 49 49 ASP CA C 49 50.349 50.349 51.748 -1.399 18292 4036 1 7 . 1 1 49 49 ASP CB C 49 38.139 38.139 40.498 -2.359 18292 4037 1 7 . 1 1 49 49 ASP H H 49 8.274 8.274 7.881 0.393 18292 4038 1 7 . 1 1 50 50 LYS N N 50 125.099 125.099 124.382 0.717 18292 4039 1 7 . 1 1 50 50 LYS HA H 50 4.096 4.096 3.881 0.215 18292 4040 1 7 . 1 1 50 50 LYS C C 50 173.120 173.120 177.226 -4.106 18292 4041 1 7 . 1 1 50 50 LYS CA C 50 56.284 56.284 58.401 -2.117 18292 4042 1 7 . 1 1 50 50 LYS CB C 50 29.763 29.763 31.712 -1.949 18292 4043 1 7 . 1 1 50 50 LYS H H 50 8.090 8.090 7.909 0.181 18292 4044 1 7 . 1 1 51 51 ASN N N 51 114.422 114.422 117.281 -2.859 18292 4045 1 7 . 1 1 51 51 ASN HA H 51 4.931 4.931 4.974 -0.043 18292 4046 1 7 . 1 1 51 51 ASN C C 51 172.685 172.685 175.139 -2.454 18292 4047 1 7 . 1 1 51 51 ASN CA C 51 50.744 50.744 52.926 -2.182 18292 4048 1 7 . 1 1 51 51 ASN CB C 51 37.036 37.036 39.718 -2.682 18292 4049 1 7 . 1 1 51 51 ASN H H 51 8.272 8.272 8.355 -0.083 18292 4050 1 7 . 1 1 52 52 SER N N 52 115.013 115.013 116.034 -1.021 18292 4051 1 7 . 1 1 52 52 SER HA H 52 4.410 4.410 4.525 -0.115 18292 4052 1 7 . 1 1 52 52 SER C C 52 172.628 172.628 174.738 -2.110 18292 4053 1 7 . 1 1 52 52 SER CA C 52 55.035 55.035 58.886 -3.851 18292 4054 1 7 . 1 1 52 52 SER CB C 52 61.604 61.604 64.310 -2.706 18292 4055 1 7 . 1 1 52 52 SER H H 52 7.920 7.920 8.041 -0.121 18292 4056 1 7 . 1 1 53 53 ALA N N 53 129.163 129.163 126.159 3.004 18292 4057 1 7 . 1 1 53 53 ALA HA H 53 4.088 4.088 4.555 -0.467 18292 4058 1 7 . 1 1 53 53 ALA C C 53 175.951 175.951 177.279 -1.328 18292 4059 1 7 . 1 1 53 53 ALA CA C 53 51.409 51.409 53.343 -1.935 18292 4060 1 7 . 1 1 53 53 ALA CB C 53 15.878 15.878 19.513 -3.635 18292 4061 1 7 . 1 1 53 53 ALA H H 53 8.837 8.837 8.613 0.224 18292 4062 1 7 . 1 1 54 54 GLN N N 54 113.081 113.081 116.814 -3.733 18292 4063 1 7 . 1 1 54 54 GLN HA H 54 4.202 4.202 4.431 -0.229 18292 4064 1 7 . 1 1 54 54 GLN C C 54 173.388 173.388 175.367 -1.979 18292 4065 1 7 . 1 1 54 54 GLN CA C 54 52.993 52.993 53.948 -0.955 18292 4066 1 7 . 1 1 54 54 GLN CB C 54 26.360 26.360 28.554 -2.194 18292 4067 1 7 . 1 1 54 54 GLN H H 54 7.836 7.836 7.618 0.218 18292 4068 1 7 . 1 1 55 55 GLY N N 55 108.967 108.967 107.994 0.973 18292 4069 1 7 . 1 1 55 55 GLY CA C 55 45.087 45.087 44.916 0.171 18292 4070 1 7 . 1 1 55 55 GLY H H 55 7.191 7.191 8.478 -1.287 18292 4071 1 7 . 1 1 56 56 ASN N N 56 114.505 114.505 117.623 -3.118 18292 4072 1 7 . 1 1 56 56 ASN HA H 56 5.520 5.520 4.983 0.537 18292 4073 1 7 . 1 1 56 56 ASN C C 56 172.166 172.166 174.186 -2.020 18292 4074 1 7 . 1 1 56 56 ASN CA C 56 50.462 50.462 53.814 -3.352 18292 4075 1 7 . 1 1 56 56 ASN CB C 56 38.400 38.400 40.502 -2.102 18292 4076 1 7 . 1 1 56 56 ASN H H 56 7.614 7.614 7.997 -0.383 18292 4077 1 7 . 1 1 57 57 VAL N N 57 119.859 119.859 119.375 0.484 18292 4078 1 7 . 1 1 57 57 VAL HA H 57 4.692 4.692 4.482 0.210 18292 4079 1 7 . 1 1 57 57 VAL C C 57 170.667 170.667 174.392 -3.725 18292 4080 1 7 . 1 1 57 57 VAL CA C 57 58.163 58.163 61.281 -3.118 18292 4081 1 7 . 1 1 57 57 VAL CB C 57 33.663 33.663 35.903 -2.240 18292 4082 1 7 . 1 1 57 57 VAL H H 57 8.354 8.354 7.864 0.490 18292 4083 1 7 . 1 1 58 58 TYR N N 58 128.478 128.478 125.743 2.735 18292 4084 1 7 . 1 1 58 58 TYR HA H 58 4.937 4.937 4.851 0.086 18292 4085 1 7 . 1 1 58 58 TYR C C 58 170.605 170.605 174.493 -3.888 18292 4086 1 7 . 1 1 58 58 TYR CA C 58 55.354 55.354 57.308 -1.954 18292 4087 1 7 . 1 1 58 58 TYR CB C 58 37.775 37.775 40.696 -2.921 18292 4088 1 7 . 1 1 58 58 TYR H H 58 9.275 9.275 9.076 0.199 18292 4089 1 7 . 1 1 59 59 VAL N N 59 123.117 123.117 121.664 1.453 18292 4090 1 7 . 1 1 59 59 VAL HA H 59 4.462 4.462 4.582 -0.120 18292 4091 1 7 . 1 1 59 59 VAL C C 59 170.875 170.875 174.066 -3.191 18292 4092 1 7 . 1 1 59 59 VAL CA C 59 58.527 58.527 59.779 -1.252 18292 4093 1 7 . 1 1 59 59 VAL CB C 59 32.611 32.611 35.991 -3.380 18292 4094 1 7 . 1 1 59 59 VAL H H 59 8.860 8.860 8.478 0.382 18292 4095 1 7 . 1 1 60 60 LYS N N 60 123.266 123.266 123.485 -0.219 18292 4096 1 7 . 1 1 60 60 LYS HA H 60 4.745 4.745 4.798 -0.053 18292 4097 1 7 . 1 1 60 60 LYS C C 60 173.399 173.399 175.445 -2.046 18292 4098 1 7 . 1 1 60 60 LYS CA C 60 52.207 52.207 54.814 -2.607 18292 4099 1 7 . 1 1 60 60 LYS CB C 60 34.244 34.244 35.810 -1.567 18292 4100 1 7 . 1 1 60 60 LYS H H 60 8.668 8.668 8.019 0.649 18292 4101 1 7 . 1 1 61 61 CYS N N 61 125.267 125.267 124.961 0.306 18292 4102 1 7 . 1 1 61 61 CYS HA H 61 4.740 4.740 4.959 -0.219 18292 4103 1 7 . 1 1 61 61 CYS CA C 61 56.393 56.393 56.771 -0.378 18292 4104 1 7 . 1 1 61 61 CYS CB C 61 27.416 27.416 28.658 -1.242 18292 4105 1 7 . 1 1 61 61 CYS H H 61 9.207 9.207 8.962 0.245 18292 4106 1 7 . 1 1 62 62 PRO HA H 62 4.266 4.266 4.434 -0.168 18292 4107 1 7 . 1 1 62 62 PRO C C 62 171.443 171.443 175.834 -4.391 18292 4108 1 7 . 1 1 62 62 PRO CA C 62 61.167 61.167 64.341 -3.174 18292 4109 1 7 . 1 1 62 62 PRO CB C 62 29.450 29.450 32.241 -2.791 18292 4110 1 7 . 1 1 63 63 SER N N 63 108.558 108.558 111.353 -2.795 18292 4111 1 7 . 1 1 63 63 SER HA H 63 4.606 4.606 4.732 -0.126 18292 4112 1 7 . 1 1 63 63 SER C C 63 171.147 171.147 174.362 -3.215 18292 4113 1 7 . 1 1 63 63 SER CA C 63 53.259 53.259 56.843 -3.584 18292 4114 1 7 . 1 1 63 63 SER CB C 63 63.378 63.378 66.405 -3.027 18292 4115 1 7 . 1 1 63 63 SER H H 63 6.990 6.990 7.564 -0.574 18292 4116 1 7 . 1 1 64 64 ILE N N 64 122.885 122.885 124.046 -1.161 18292 4117 1 7 . 1 1 64 64 ILE HA H 64 3.462 3.462 3.748 -0.286 18292 4118 1 7 . 1 1 64 64 ILE C C 64 174.204 174.204 177.325 -3.121 18292 4119 1 7 . 1 1 64 64 ILE CA C 64 62.955 62.955 65.474 -2.519 18292 4120 1 7 . 1 1 64 64 ILE CB C 64 35.297 35.297 37.614 -2.317 18292 4121 1 7 . 1 1 64 64 ILE H H 64 8.786 8.786 8.873 -0.087 18292 4122 1 7 . 1 1 65 65 ALA N N 65 120.653 120.653 122.752 -2.099 18292 4123 1 7 . 1 1 65 65 ALA HA H 65 3.890 3.890 4.061 -0.171 18292 4124 1 7 . 1 1 65 65 ALA C C 65 177.926 177.926 179.322 -1.396 18292 4125 1 7 . 1 1 65 65 ALA CA C 65 52.772 52.772 55.288 -2.516 18292 4126 1 7 . 1 1 65 65 ALA CB C 65 15.552 15.552 17.718 -2.166 18292 4127 1 7 . 1 1 65 65 ALA H H 65 8.287 8.287 8.256 0.031 18292 4128 1 7 . 1 1 66 66 ALA N N 66 119.802 119.802 121.854 -2.052 18292 4129 1 7 . 1 1 66 66 ALA HA H 66 4.344 4.344 4.406 -0.062 18292 4130 1 7 . 1 1 66 66 ALA C C 66 176.063 176.063 179.657 -3.594 18292 4131 1 7 . 1 1 66 66 ALA CA C 66 52.108 52.108 54.764 -2.656 18292 4132 1 7 . 1 1 66 66 ALA CB C 66 16.106 16.106 18.210 -2.104 18292 4133 1 7 . 1 1 66 66 ALA H H 66 7.952 7.952 7.865 0.087 18292 4134 1 7 . 1 1 67 67 ALA N N 67 121.626 121.626 121.891 -0.265 18292 4135 1 7 . 1 1 67 67 ALA HA H 67 4.398 4.398 3.782 0.616 18292 4136 1 7 . 1 1 67 67 ALA C C 67 175.824 175.824 179.406 -3.582 18292 4137 1 7 . 1 1 67 67 ALA CA C 67 53.135 53.135 54.680 -1.545 18292 4138 1 7 . 1 1 67 67 ALA CB C 67 17.020 17.020 18.235 -1.215 18292 4139 1 7 . 1 1 67 67 ALA H H 67 7.332 7.332 7.425 -0.093 18292 4140 1 7 . 1 1 68 68 ILE N N 68 117.793 117.793 119.719 -1.926 18292 4141 1 7 . 1 1 68 68 ILE HA H 68 4.185 4.185 3.653 0.532 18292 4142 1 7 . 1 1 68 68 ILE C C 68 176.163 176.163 178.270 -2.107 18292 4143 1 7 . 1 1 68 68 ILE CA C 68 61.323 61.323 65.132 -3.809 18292 4144 1 7 . 1 1 68 68 ILE CB C 68 36.657 36.657 37.887 -1.230 18292 4145 1 7 . 1 1 68 68 ILE H H 68 8.655 8.655 8.341 0.314 18292 4146 1 7 . 1 1 69 69 ALA N N 69 119.051 119.051 121.338 -2.287 18292 4147 1 7 . 1 1 69 69 ALA HA H 69 3.836 3.836 3.892 -0.056 18292 4148 1 7 . 1 1 69 69 ALA C C 69 177.325 177.325 179.139 -1.814 18292 4149 1 7 . 1 1 69 69 ALA CA C 69 51.781 51.781 55.189 -3.408 18292 4150 1 7 . 1 1 69 69 ALA CB C 69 15.767 15.767 17.999 -2.232 18292 4151 1 7 . 1 1 69 69 ALA H H 69 7.377 7.377 7.955 -0.578 18292 4152 1 7 . 1 1 70 70 ALA N N 70 121.378 121.378 121.414 -0.036 18292 4153 1 7 . 1 1 70 70 ALA HA H 70 3.544 3.544 3.639 -0.095 18292 4154 1 7 . 1 1 70 70 ALA C C 70 176.012 176.012 179.178 -3.166 18292 4155 1 7 . 1 1 70 70 ALA CA C 70 52.966 52.966 54.566 -1.600 18292 4156 1 7 . 1 1 70 70 ALA CB C 70 16.740 16.740 18.223 -1.483 18292 4157 1 7 . 1 1 70 70 ALA H H 70 7.798 7.798 8.104 -0.306 18292 4158 1 7 . 1 1 71 71 VAL N N 71 119.944 119.944 118.542 1.402 18292 4159 1 7 . 1 1 71 71 VAL HA H 71 2.524 2.524 3.241 -0.717 18292 4160 1 7 . 1 1 71 71 VAL C C 71 175.408 175.408 177.954 -2.546 18292 4161 1 7 . 1 1 71 71 VAL CA C 71 64.993 64.993 66.545 -1.552 18292 4162 1 7 . 1 1 71 71 VAL CB C 71 28.184 28.184 30.352 -2.168 18292 4163 1 7 . 1 1 71 71 VAL H H 71 8.662 8.662 7.912 0.750 18292 4164 1 7 . 1 1 72 72 ASN N N 72 114.981 114.981 118.034 -3.053 18292 4165 1 7 . 1 1 72 72 ASN HA H 72 4.244 4.244 4.308 -0.064 18292 4166 1 7 . 1 1 72 72 ASN C C 72 174.490 174.490 176.404 -1.914 18292 4167 1 7 . 1 1 72 72 ASN CA C 72 52.776 52.776 56.432 -3.656 18292 4168 1 7 . 1 1 72 72 ASN CB C 72 35.394 35.394 38.533 -3.139 18292 4169 1 7 . 1 1 72 72 ASN H H 72 8.061 8.061 8.031 0.030 18292 4170 1 7 . 1 1 73 73 ALA N N 73 120.308 120.308 121.068 -0.760 18292 4171 1 7 . 1 1 73 73 ALA HA H 73 4.162 4.162 4.074 0.088 18292 4172 1 7 . 1 1 73 73 ALA C C 73 176.245 176.245 179.057 -2.812 18292 4173 1 7 . 1 1 73 73 ALA CA C 73 51.058 51.058 54.288 -3.230 18292 4174 1 7 . 1 1 73 73 ALA CB C 73 17.457 17.457 18.636 -1.179 18292 4175 1 7 . 1 1 73 73 ALA H H 73 7.230 7.230 7.428 -0.198 18292 4176 1 7 . 1 1 74 74 LEU N N 74 118.156 118.156 115.716 2.440 18292 4177 1 7 . 1 1 74 74 LEU HA H 74 4.021 4.021 4.106 -0.085 18292 4178 1 7 . 1 1 74 74 LEU C C 74 173.863 173.863 177.931 -4.068 18292 4179 1 7 . 1 1 74 74 LEU CA C 74 53.853 53.853 56.748 -2.895 18292 4180 1 7 . 1 1 74 74 LEU CB C 74 41.552 41.552 42.576 -1.024 18292 4181 1 7 . 1 1 74 74 LEU H H 74 7.856 7.856 7.531 0.325 18292 4182 1 7 . 1 1 75 75 HIS N N 75 117.126 117.126 118.529 -1.403 18292 4183 1 7 . 1 1 75 75 HIS HA H 75 3.830 3.830 4.345 -0.515 18292 4184 1 7 . 1 1 75 75 HIS C C 75 174.851 174.851 175.774 -0.923 18292 4185 1 7 . 1 1 75 75 HIS CA C 75 56.621 56.621 57.504 -0.883 18292 4186 1 7 . 1 1 75 75 HIS CB C 75 28.299 28.299 28.827 -0.528 18292 4187 1 7 . 1 1 75 75 HIS H H 75 8.434 8.434 8.028 0.406 18292 4188 1 7 . 1 1 76 76 GLY N N 76 116.761 116.761 115.854 0.907 18292 4189 1 7 . 1 1 76 76 GLY CA C 76 42.221 42.221 44.400 -2.179 18292 4190 1 7 . 1 1 76 76 GLY H H 76 8.418 8.418 8.743 -0.325 18292 4191 1 7 . 1 1 77 77 ARG N N 77 120.430 120.430 120.833 -0.403 18292 4192 1 7 . 1 1 77 77 ARG HA H 77 4.248 4.248 4.427 -0.179 18292 4193 1 7 . 1 1 77 77 ARG C C 77 173.536 173.536 174.812 -1.276 18292 4194 1 7 . 1 1 77 77 ARG CA C 77 53.029 53.029 56.246 -3.217 18292 4195 1 7 . 1 1 77 77 ARG CB C 77 29.058 29.058 31.962 -2.904 18292 4196 1 7 . 1 1 77 77 ARG H H 77 7.385 7.385 7.743 -0.358 18292 4197 1 7 . 1 1 78 78 TRP N N 78 122.989 122.989 121.412 1.577 18292 4198 1 7 . 1 1 78 78 TRP HA H 78 4.941 4.941 5.112 -0.171 18292 4199 1 7 . 1 1 78 78 TRP C C 78 173.888 173.888 176.163 -2.275 18292 4200 1 7 . 1 1 78 78 TRP CA C 78 54.234 54.234 56.676 -2.442 18292 4201 1 7 . 1 1 78 78 TRP CB C 78 26.923 26.923 30.213 -3.290 18292 4202 1 7 . 1 1 78 78 TRP H H 78 8.463 8.463 8.499 -0.036 18292 4203 1 7 . 1 1 79 79 PHE N N 79 126.899 126.899 124.952 1.947 18292 4204 1 7 . 1 1 79 79 PHE HA H 79 4.637 4.637 4.535 0.102 18292 4205 1 7 . 1 1 79 79 PHE C C 79 171.696 171.696 177.322 -5.626 18292 4206 1 7 . 1 1 79 79 PHE CA C 79 54.624 54.624 58.520 -3.896 18292 4207 1 7 . 1 1 79 79 PHE CB C 79 39.577 39.577 40.689 -1.112 18292 4208 1 7 . 1 1 79 79 PHE H H 79 9.500 9.500 8.986 0.514 18292 4209 1 7 . 1 1 80 80 ALA N N 80 130.285 130.285 124.796 5.489 18292 4210 1 7 . 1 1 80 80 ALA HA H 80 3.705 3.705 4.234 -0.529 18292 4211 1 7 . 1 1 80 80 ALA C C 80 174.560 174.560 176.982 -2.422 18292 4212 1 7 . 1 1 80 80 ALA CA C 80 49.993 49.993 52.347 -2.354 18292 4213 1 7 . 1 1 80 80 ALA CB C 80 14.479 14.479 16.553 -2.074 18292 4214 1 7 . 1 1 80 80 ALA H H 80 8.840 8.840 8.410 0.430 18292 4215 1 7 . 1 1 81 81 GLY N N 81 102.771 102.771 108.307 -5.536 18292 4216 1 7 . 1 1 81 81 GLY C C 81 171.087 171.087 172.954 -1.867 18292 4217 1 7 . 1 1 81 81 GLY CA C 81 42.891 42.891 45.033 -2.142 18292 4218 1 7 . 1 1 81 81 GLY H H 81 8.268 8.268 8.376 -0.108 18292 4219 1 7 . 1 1 82 82 LYS N N 82 120.307 120.307 119.320 0.987 18292 4220 1 7 . 1 1 82 82 LYS HA H 82 4.469 4.469 4.357 0.112 18292 4221 1 7 . 1 1 82 82 LYS C C 82 170.688 170.688 173.815 -3.127 18292 4222 1 7 . 1 1 82 82 LYS CA C 82 52.029 52.029 54.871 -2.842 18292 4223 1 7 . 1 1 82 82 LYS CB C 82 32.776 32.776 33.926 -1.150 18292 4224 1 7 . 1 1 82 82 LYS H H 82 7.791 7.791 8.173 -0.382 18292 4225 1 7 . 1 1 83 83 MET N N 83 121.212 121.212 123.271 -2.059 18292 4226 1 7 . 1 1 83 83 MET HA H 83 3.871 3.871 4.135 -0.264 18292 4227 1 7 . 1 1 83 83 MET C C 83 173.474 173.474 175.037 -1.563 18292 4228 1 7 . 1 1 83 83 MET CA C 83 51.968 51.968 54.501 -2.533 18292 4229 1 7 . 1 1 83 83 MET CB C 83 30.275 30.275 32.887 -2.612 18292 4230 1 7 . 1 1 83 83 MET H H 83 7.953 7.953 8.295 -0.342 18292 4231 1 7 . 1 1 84 84 ILE N N 84 128.512 128.512 128.153 0.359 18292 4232 1 7 . 1 1 84 84 ILE HA H 84 4.230 4.230 4.096 0.134 18292 4233 1 7 . 1 1 84 84 ILE C C 84 173.459 173.459 175.089 -1.630 18292 4234 1 7 . 1 1 84 84 ILE CA C 84 58.832 58.832 59.887 -1.055 18292 4235 1 7 . 1 1 84 84 ILE CB C 84 36.088 36.088 36.958 -0.870 18292 4236 1 7 . 1 1 84 84 ILE H H 84 8.683 8.683 8.739 -0.056 18292 4237 1 7 . 1 1 85 85 THR N N 85 115.456 115.456 118.162 -2.706 18292 4238 1 7 . 1 1 85 85 THR HA H 85 4.825 4.825 5.155 -0.330 18292 4239 1 7 . 1 1 85 85 THR CA C 85 56.520 56.520 59.816 -3.296 18292 4240 1 7 . 1 1 85 85 THR CB C 85 68.803 68.803 71.970 -3.167 18292 4241 1 7 . 1 1 85 85 THR H H 85 7.318 7.318 8.220 -0.902 18292 4242 1 7 . 1 1 86 86 ALA N N 86 128.004 128.004 123.550 4.454 18292 4243 1 7 . 1 1 86 86 ALA HA H 86 5.542 5.542 5.305 0.237 18292 4244 1 7 . 1 1 86 86 ALA C C 86 173.070 173.070 175.255 -2.185 18292 4245 1 7 . 1 1 86 86 ALA CA C 86 47.491 47.491 49.815 -2.324 18292 4246 1 7 . 1 1 86 86 ALA CB C 86 22.241 22.241 22.160 0.081 18292 4247 1 7 . 1 1 86 86 ALA H H 86 10.712 10.712 8.068 2.644 18292 4248 1 7 . 1 1 87 87 ALA N N 87 122.902 122.902 121.217 1.685 18292 4249 1 7 . 1 1 87 87 ALA HA H 87 4.499 4.499 4.760 -0.261 18292 4250 1 7 . 1 1 87 87 ALA C C 87 173.781 173.781 175.438 -1.657 18292 4251 1 7 . 1 1 87 87 ALA CA C 87 47.989 47.989 51.293 -3.304 18292 4252 1 7 . 1 1 87 87 ALA CB C 87 19.981 19.981 21.750 -1.769 18292 4253 1 7 . 1 1 87 87 ALA H H 87 8.413 8.413 8.565 -0.152 18292 4254 1 7 . 1 1 88 88 TYR N N 88 120.267 120.267 120.159 0.108 18292 4255 1 7 . 1 1 88 88 TYR HA H 88 4.723 4.723 4.904 -0.181 18292 4256 1 7 . 1 1 88 88 TYR C C 88 173.615 173.615 176.293 -2.678 18292 4257 1 7 . 1 1 88 88 TYR CA C 88 57.556 57.556 57.966 -0.410 18292 4258 1 7 . 1 1 88 88 TYR CB C 88 36.474 36.474 39.574 -3.100 18292 4259 1 7 . 1 1 88 88 TYR H H 88 8.311 8.311 8.640 -0.329 18292 4260 1 7 . 1 1 89 89 VAL N N 89 123.298 123.298 121.744 1.554 18292 4261 1 7 . 1 1 89 89 VAL HA H 89 4.696 4.696 4.619 0.077 18292 4262 1 7 . 1 1 89 89 VAL CA C 89 55.899 55.899 58.903 -3.004 18292 4263 1 7 . 1 1 89 89 VAL CB C 89 33.445 33.445 35.688 -2.243 18292 4264 1 7 . 1 1 89 89 VAL H H 89 8.420 8.420 8.570 -0.150 18292 4265 1 7 . 1 1 90 90 PRO HA H 90 4.450 4.450 4.523 -0.073 18292 4266 1 7 . 1 1 90 90 PRO CA C 90 60.310 60.310 63.107 -2.797 18292 4267 1 7 . 1 1 90 90 PRO CB C 90 30.489 30.489 32.445 -1.956 18292 4268 1 7 . 1 1 91 91 LEU N N 91 126.649 126.649 126.525 0.124 18292 4269 1 7 . 1 1 91 91 LEU HA H 91 3.975 3.975 4.215 -0.240 18292 4270 1 7 . 1 1 91 91 LEU CA C 91 56.691 56.691 59.734 -3.043 18292 4271 1 7 . 1 1 91 91 LEU CB C 91 37.139 37.139 39.307 -2.168 18292 4272 1 7 . 1 1 91 91 LEU H H 91 8.997 8.997 8.772 0.225 18292 4273 1 7 . 1 1 92 92 PRO HA H 92 4.211 4.211 4.312 -0.101 18292 4274 1 7 . 1 1 92 92 PRO C C 92 177.175 177.175 178.081 -0.906 18292 4275 1 7 . 1 1 92 92 PRO CA C 92 63.104 63.104 65.396 -2.292 18292 4276 1 7 . 1 1 92 92 PRO CB C 92 27.973 27.973 31.261 -3.288 18292 4277 1 7 . 1 1 93 93 THR N N 93 112.839 112.839 113.940 -1.101 18292 4278 1 7 . 1 1 93 93 THR HA H 93 3.827 3.827 4.351 -0.524 18292 4279 1 7 . 1 1 93 93 THR C C 93 172.669 172.669 175.848 -3.179 18292 4280 1 7 . 1 1 93 93 THR CA C 93 63.096 63.096 65.239 -2.143 18292 4281 1 7 . 1 1 93 93 THR CB C 93 65.968 65.968 69.483 -3.515 18292 4282 1 7 . 1 1 93 93 THR H H 93 6.528 6.528 7.695 -1.167 18292 4283 1 7 . 1 1 94 94 TYR N N 94 125.195 125.195 124.224 0.971 18292 4284 1 7 . 1 1 94 94 TYR HA H 94 3.515 3.515 4.181 -0.666 18292 4285 1 7 . 1 1 94 94 TYR C C 94 174.953 174.953 177.733 -2.780 18292 4286 1 7 . 1 1 94 94 TYR CA C 94 60.012 60.012 62.805 -2.793 18292 4287 1 7 . 1 1 94 94 TYR CB C 94 37.588 37.588 38.583 -0.995 18292 4288 1 7 . 1 1 94 94 TYR H H 94 8.263 8.263 8.847 -0.584 18292 4289 1 7 . 1 1 95 95 HIS N N 95 114.994 114.994 116.541 -1.547 18292 4290 1 7 . 1 1 95 95 HIS HA H 95 4.187 4.187 4.599 -0.412 18292 4291 1 7 . 1 1 95 95 HIS C C 95 173.780 173.780 176.875 -3.095 18292 4292 1 7 . 1 1 95 95 HIS CA C 95 53.471 53.471 58.666 -5.195 18292 4293 1 7 . 1 1 95 95 HIS CB C 95 26.528 26.528 29.605 -3.077 18292 4294 1 7 . 1 1 95 95 HIS H H 95 8.529 8.529 8.566 -0.037 18292 4295 1 7 . 1 1 96 96 ASN N N 96 116.599 116.599 117.272 -0.673 18292 4296 1 7 . 1 1 96 96 ASN HA H 96 4.315 4.315 4.515 -0.200 18292 4297 1 7 . 1 1 96 96 ASN C C 96 175.849 175.849 176.412 -0.563 18292 4298 1 7 . 1 1 96 96 ASN CA C 96 52.814 52.814 55.221 -2.407 18292 4299 1 7 . 1 1 96 96 ASN CB C 96 36.453 36.453 38.486 -2.033 18292 4300 1 7 . 1 1 96 96 ASN H H 96 7.343 7.343 7.622 -0.279 18292 4301 1 7 . 1 1 97 97 LEU N N 97 119.316 119.316 118.881 0.435 18292 4302 1 7 . 1 1 97 97 LEU HA H 97 3.406 3.406 3.930 -0.524 18292 4303 1 7 . 1 1 97 97 LEU CA C 97 54.399 54.399 56.648 -2.249 18292 4304 1 7 . 1 1 97 97 LEU CB C 97 39.614 39.614 42.581 -2.967 18292 4305 1 7 . 1 1 97 97 LEU H H 97 7.299 7.299 7.363 -0.064 18292 4306 1 7 . 1 1 98 98 PHE N N 98 113.688 113.688 115.238 -1.550 18292 4307 1 7 . 1 1 98 98 PHE HA H 98 4.696 4.696 4.879 -0.183 18292 4308 1 7 . 1 1 98 98 PHE CA C 98 54.399 54.399 54.772 -0.373 18292 4309 1 7 . 1 1 98 98 PHE CB C 98 35.380 35.380 39.097 -3.717 18292 4310 1 7 . 1 1 98 98 PHE H H 98 7.795 7.795 8.229 -0.434 18292 4311 1 7 . 1 1 99 99 PRO HA H 99 4.430 4.430 4.399 0.031 18292 4312 1 7 . 1 1 99 99 PRO C C 99 176.469 176.469 176.399 0.070 18292 4313 1 7 . 1 1 99 99 PRO CA C 99 63.174 63.174 64.519 -1.345 18292 4314 1 7 . 1 1 99 99 PRO CB C 99 28.822 28.822 31.482 -2.660 18292 4315 1 7 . 1 1 100 100 ASP N N 100 115.482 115.482 116.921 -1.439 18292 4316 1 7 . 1 1 100 100 ASP HA H 100 4.306 4.306 4.481 -0.175 18292 4317 1 7 . 1 1 100 100 ASP C C 100 174.886 174.886 177.957 -3.071 18292 4318 1 7 . 1 1 100 100 ASP CA C 100 53.064 53.064 55.598 -2.534 18292 4319 1 7 . 1 1 100 100 ASP CB C 100 36.736 36.736 39.584 -2.848 18292 4320 1 7 . 1 1 100 100 ASP H H 100 8.897 8.897 8.209 0.688 18292 4321 1 7 . 1 1 101 101 SER N N 101 114.743 114.743 116.921 -2.178 18292 4322 1 7 . 1 1 101 101 SER HA H 101 3.876 3.876 4.352 -0.476 18292 4323 1 7 . 1 1 101 101 SER C C 101 173.539 173.539 176.726 -3.187 18292 4324 1 7 . 1 1 101 101 SER CA C 101 58.183 58.183 61.183 -3.000 18292 4325 1 7 . 1 1 101 101 SER CB C 101 61.403 61.403 62.368 -0.965 18292 4326 1 7 . 1 1 101 101 SER H H 101 8.057 8.057 7.770 0.287 18292 4327 1 7 . 1 1 102 102 MET N N 102 122.103 122.103 119.148 2.955 18292 4328 1 7 . 1 1 102 102 MET HA H 102 3.340 3.340 4.320 -0.980 18292 4329 1 7 . 1 1 102 102 MET C C 102 174.488 174.488 177.334 -2.846 18292 4330 1 7 . 1 1 102 102 MET CA C 102 56.606 56.606 57.816 -1.210 18292 4331 1 7 . 1 1 102 102 MET CB C 102 31.312 31.312 31.849 -0.537 18292 4332 1 7 . 1 1 102 102 MET H H 102 7.319 7.319 8.014 -0.695 18292 4333 1 7 . 1 1 103 103 THR N N 103 104.780 104.780 109.754 -4.974 18292 4334 1 7 . 1 1 103 103 THR HA H 103 4.318 4.318 4.384 -0.066 18292 4335 1 7 . 1 1 103 103 THR C C 103 171.121 171.121 174.777 -3.656 18292 4336 1 7 . 1 1 103 103 THR CA C 103 57.203 57.203 62.026 -4.823 18292 4337 1 7 . 1 1 103 103 THR CB C 103 65.753 65.753 69.318 -3.565 18292 4338 1 7 . 1 1 103 103 THR H H 103 7.216 7.216 8.134 -0.918 18292 4339 1 7 . 1 1 104 104 ALA N N 104 125.795 125.795 125.915 -0.120 18292 4340 1 7 . 1 1 104 104 ALA HA H 104 4.347 4.347 4.378 -0.031 18292 4341 1 7 . 1 1 104 104 ALA C C 104 174.370 174.370 177.427 -3.057 18292 4342 1 7 . 1 1 104 104 ALA CA C 104 50.244 50.244 52.778 -2.534 18292 4343 1 7 . 1 1 104 104 ALA CB C 104 16.077 16.077 18.828 -2.751 18292 4344 1 7 . 1 1 104 104 ALA H H 104 6.605 6.605 7.397 -0.792 18292 4345 1 7 . 1 1 105 105 THR N N 105 111.482 111.482 113.426 -1.944 18292 4346 1 7 . 1 1 105 105 THR HA H 105 4.390 4.390 4.385 0.005 18292 4347 1 7 . 1 1 105 105 THR C C 105 171.563 171.563 174.753 -3.190 18292 4348 1 7 . 1 1 105 105 THR CA C 105 58.977 58.977 61.877 -2.900 18292 4349 1 7 . 1 1 105 105 THR CB C 105 68.537 68.537 69.700 -1.163 18292 4350 1 7 . 1 1 105 105 THR H H 105 8.698 8.698 8.092 0.606 18292 4351 1 7 . 1 1 106 106 GLN N N 106 123.003 123.003 120.421 2.582 18292 4352 1 7 . 1 1 106 106 GLN HA H 106 4.294 4.294 4.426 -0.132 18292 4353 1 7 . 1 1 106 106 GLN C C 106 172.973 172.973 175.179 -2.206 18292 4354 1 7 . 1 1 106 106 GLN CA C 106 52.710 52.710 54.672 -1.962 18292 4355 1 7 . 1 1 106 106 GLN CB C 106 27.282 27.282 29.370 -2.088 18292 4356 1 7 . 1 1 106 106 GLN H H 106 7.944 7.944 7.770 0.174 18292 4357 1 7 . 1 1 107 107 LEU N N 107 124.765 124.765 124.797 -0.032 18292 4358 1 7 . 1 1 107 107 LEU HA H 107 4.328 4.328 4.593 -0.265 18292 4359 1 7 . 1 1 107 107 LEU C C 107 174.110 174.110 177.325 -3.215 18292 4360 1 7 . 1 1 107 107 LEU CA C 107 52.798 52.798 54.886 -2.088 18292 4361 1 7 . 1 1 107 107 LEU CB C 107 37.829 37.829 42.752 -4.923 18292 4362 1 7 . 1 1 107 107 LEU H H 107 8.390 8.390 8.450 -0.060 18292 4363 1 7 . 1 1 108 108 LEU N N 108 122.332 122.332 120.915 1.417 18292 4364 1 7 . 1 1 108 108 LEU HA H 108 4.259 4.259 4.609 -0.350 18292 4365 1 7 . 1 1 108 108 LEU C C 108 173.870 173.870 175.735 -1.865 18292 4366 1 7 . 1 1 108 108 LEU CA C 108 52.092 52.092 54.578 -2.486 18292 4367 1 7 . 1 1 108 108 LEU CB C 108 39.253 39.253 43.101 -3.848 18292 4368 1 7 . 1 1 108 108 LEU H H 108 8.480 8.480 8.296 0.184 18292 4369 1 7 . 1 1 109 109 VAL N N 109 115.421 115.421 114.549 0.872 18292 4370 1 7 . 1 1 109 109 VAL HA H 109 4.444 4.444 4.636 -0.192 18292 4371 1 7 . 1 1 109 109 VAL CA C 109 55.640 55.640 59.368 -3.728 18292 4372 1 7 . 1 1 109 109 VAL CB C 109 31.153 31.153 32.658 -1.506 18292 4373 1 7 . 1 1 109 109 VAL H H 109 8.007 8.007 7.827 0.180 18292 4374 1 7 . 1 1 110 110 PRO HA H 110 4.361 4.361 4.666 -0.305 18292 4375 1 7 . 1 1 110 110 PRO C C 110 173.778 173.778 175.899 -2.121 18292 4376 1 7 . 1 1 110 110 PRO CA C 110 59.737 59.737 62.583 -2.846 18292 4377 1 7 . 1 1 110 110 PRO CB C 110 29.710 29.710 33.234 -3.524 18292 4378 1 7 . 1 1 111 111 SER N N 111 120.434 120.434 114.732 5.702 18292 4379 1 7 . 1 1 111 111 SER HA H 111 4.139 4.139 4.591 -0.452 18292 4380 1 7 . 1 1 111 111 SER C C 111 172.475 172.475 174.215 -1.740 18292 4381 1 7 . 1 1 111 111 SER CA C 111 57.674 57.674 58.861 -1.187 18292 4382 1 7 . 1 1 111 111 SER CB C 111 60.580 60.580 65.507 -4.927 18292 4383 1 7 . 1 1 111 111 SER H H 111 9.945 9.945 9.436 0.509 18292 4384 1 7 . 1 1 112 112 ARG N N 112 121.013 121.013 121.771 -0.758 18292 4385 1 7 . 1 1 112 112 ARG HA H 112 4.253 4.253 4.487 -0.234 18292 4386 1 7 . 1 1 112 112 ARG C C 112 172.216 172.216 173.418 -1.202 18292 4387 1 7 . 1 1 112 112 ARG CA C 112 53.071 53.071 56.280 -3.209 18292 4388 1 7 . 1 1 112 112 ARG CB C 112 27.963 27.963 31.689 -3.726 18292 4389 1 7 . 1 1 112 112 ARG H H 112 7.861 7.861 8.673 -0.812 18292 4390 1 8 . 1 1 2 2 GLN N N 2 125.719 125.719 125.551 0.168 18292 4391 1 8 . 1 1 2 2 GLN HA H 2 4.571 4.571 4.474 0.097 18292 4392 1 8 . 1 1 2 2 GLN CA C 2 50.502 50.502 54.721 -4.219 18292 4393 1 8 . 1 1 2 2 GLN CB C 2 26.254 26.254 31.149 -4.895 18292 4394 1 8 . 1 1 2 2 GLN H H 2 8.471 8.471 8.373 0.098 18292 4395 1 8 . 1 1 3 3 PRO HA H 3 4.311 4.311 4.341 -0.030 18292 4396 1 8 . 1 1 3 3 PRO C C 3 173.634 173.634 175.836 -2.202 18292 4397 1 8 . 1 1 3 3 PRO CA C 3 60.349 60.349 63.017 -2.668 18292 4398 1 8 . 1 1 3 3 PRO CB C 3 29.678 29.678 31.057 -1.379 18292 4399 1 8 . 1 1 4 4 LEU N N 4 122.253 122.253 126.205 -3.952 18292 4400 1 8 . 1 1 4 4 LEU HA H 4 4.133 4.133 4.482 -0.349 18292 4401 1 8 . 1 1 4 4 LEU C C 4 172.946 172.946 175.593 -2.647 18292 4402 1 8 . 1 1 4 4 LEU CA C 4 51.900 51.900 54.326 -2.426 18292 4403 1 8 . 1 1 4 4 LEU CB C 4 39.711 39.711 41.474 -1.762 18292 4404 1 8 . 1 1 4 4 LEU H H 4 7.912 7.912 7.686 0.226 18292 4405 1 8 . 1 1 5 5 ALA N N 5 122.619 122.619 128.199 -5.580 18292 4406 1 8 . 1 1 5 5 ALA HA H 5 2.385 2.385 4.366 -1.981 18292 4407 1 8 . 1 1 5 5 ALA C C 5 174.164 174.164 176.915 -2.751 18292 4408 1 8 . 1 1 5 5 ALA CA C 5 49.205 49.205 51.911 -2.706 18292 4409 1 8 . 1 1 5 5 ALA CB C 5 17.058 17.058 18.336 -1.278 18292 4410 1 8 . 1 1 5 5 ALA H H 5 7.415 7.415 8.428 -1.013 18292 4411 1 8 . 1 1 6 6 THR N N 6 112.768 112.768 115.388 -2.620 18292 4412 1 8 . 1 1 6 6 THR HA H 6 4.393 4.393 4.611 -0.218 18292 4413 1 8 . 1 1 6 6 THR C C 6 168.908 168.908 175.358 -6.450 18292 4414 1 8 . 1 1 6 6 THR CA C 6 56.371 56.371 60.542 -4.171 18292 4415 1 8 . 1 1 6 6 THR CB C 6 68.874 68.874 71.704 -2.830 18292 4416 1 8 . 1 1 6 6 THR H H 6 6.601 6.601 7.973 -1.372 18292 4417 1 8 . 1 1 7 7 GLN N N 7 111.707 111.707 117.265 -5.558 18292 4418 1 8 . 1 1 7 7 GLN HA H 7 4.344 4.344 4.290 0.054 18292 4419 1 8 . 1 1 7 7 GLN C C 7 171.068 171.068 175.063 -3.995 18292 4420 1 8 . 1 1 7 7 GLN CA C 7 53.795 53.795 57.188 -3.393 18292 4421 1 8 . 1 1 7 7 GLN CB C 7 28.252 28.252 28.385 -0.133 18292 4422 1 8 . 1 1 7 7 GLN H H 7 8.547 8.547 8.879 -0.332 18292 4423 1 8 . 1 1 8 8 CYS N N 8 118.669 118.669 116.417 2.252 18292 4424 1 8 . 1 1 8 8 CYS HA H 8 5.389 5.389 5.002 0.387 18292 4425 1 8 . 1 1 8 8 CYS C C 8 171.026 171.026 173.479 -2.453 18292 4426 1 8 . 1 1 8 8 CYS CA C 8 53.652 53.652 57.529 -3.877 18292 4427 1 8 . 1 1 8 8 CYS CB C 8 29.416 29.416 30.693 -1.277 18292 4428 1 8 . 1 1 8 8 CYS H H 8 8.558 8.558 7.707 0.851 18292 4429 1 8 . 1 1 9 9 PHE N N 9 117.117 117.117 118.829 -1.712 18292 4430 1 8 . 1 1 9 9 PHE HA H 9 5.369 5.369 5.478 -0.109 18292 4431 1 8 . 1 1 9 9 PHE C C 9 168.313 168.313 172.914 -4.601 18292 4432 1 8 . 1 1 9 9 PHE CA C 9 53.341 53.341 55.672 -2.331 18292 4433 1 8 . 1 1 9 9 PHE CB C 9 39.008 39.008 42.432 -3.424 18292 4434 1 8 . 1 1 9 9 PHE H H 9 9.533 9.533 8.718 0.815 18292 4435 1 8 . 1 1 10 10 GLN N N 10 118.344 118.344 116.145 2.199 18292 4436 1 8 . 1 1 10 10 GLN HA H 10 5.063 5.063 5.073 -0.010 18292 4437 1 8 . 1 1 10 10 GLN C C 10 173.280 173.280 174.049 -0.769 18292 4438 1 8 . 1 1 10 10 GLN CA C 10 50.242 50.242 54.334 -4.092 18292 4439 1 8 . 1 1 10 10 GLN CB C 10 30.263 30.263 32.607 -2.344 18292 4440 1 8 . 1 1 10 10 GLN H H 10 9.299 9.299 9.197 0.102 18292 4441 1 8 . 1 1 11 11 LEU N N 11 128.664 128.664 122.754 5.910 18292 4442 1 8 . 1 1 11 11 LEU HA H 11 5.474 5.474 4.898 0.576 18292 4443 1 8 . 1 1 11 11 LEU C C 11 173.987 173.987 177.560 -3.573 18292 4444 1 8 . 1 1 11 11 LEU CA C 11 50.153 50.153 53.918 -3.765 18292 4445 1 8 . 1 1 11 11 LEU CB C 11 41.779 41.779 43.896 -2.117 18292 4446 1 8 . 1 1 11 11 LEU H H 11 9.679 9.679 8.691 0.988 18292 4447 1 8 . 1 1 12 12 SER N N 12 115.661 115.661 114.487 1.174 18292 4448 1 8 . 1 1 12 12 SER HA H 12 4.877 4.877 4.754 0.123 18292 4449 1 8 . 1 1 12 12 SER C C 12 170.086 170.086 172.758 -2.672 18292 4450 1 8 . 1 1 12 12 SER CA C 12 54.698 54.698 57.951 -3.253 18292 4451 1 8 . 1 1 12 12 SER CB C 12 63.054 63.054 63.653 -0.598 18292 4452 1 8 . 1 1 12 12 SER H H 12 8.717 8.717 8.411 0.306 18292 4453 1 8 . 1 1 13 13 ASN N N 13 114.812 114.812 118.593 -3.781 18292 4454 1 8 . 1 1 13 13 ASN HA H 13 4.165 4.165 4.654 -0.489 18292 4455 1 8 . 1 1 13 13 ASN C C 13 171.867 171.867 173.489 -1.622 18292 4456 1 8 . 1 1 13 13 ASN CA C 13 51.269 51.269 53.512 -2.243 18292 4457 1 8 . 1 1 13 13 ASN CB C 13 34.988 34.988 39.147 -4.159 18292 4458 1 8 . 1 1 13 13 ASN H H 13 8.563 8.563 7.924 0.639 18292 4459 1 8 . 1 1 14 14 MET N N 14 113.100 113.100 117.380 -4.280 18292 4460 1 8 . 1 1 14 14 MET HA H 14 4.258 4.258 4.193 0.065 18292 4461 1 8 . 1 1 14 14 MET C C 14 171.935 171.935 174.914 -2.979 18292 4462 1 8 . 1 1 14 14 MET CA C 14 53.020 53.020 55.278 -2.258 18292 4463 1 8 . 1 1 14 14 MET CB C 14 29.746 29.746 34.408 -4.662 18292 4464 1 8 . 1 1 14 14 MET H H 14 8.261 8.261 7.403 0.858 18292 4465 1 8 . 1 1 15 15 PHE N N 15 108.769 108.769 114.764 -5.995 18292 4466 1 8 . 1 1 15 15 PHE HA H 15 4.485 4.485 4.807 -0.322 18292 4467 1 8 . 1 1 15 15 PHE C C 15 170.024 170.024 172.878 -2.854 18292 4468 1 8 . 1 1 15 15 PHE CA C 15 53.080 53.080 55.856 -2.776 18292 4469 1 8 . 1 1 15 15 PHE CB C 15 36.300 36.300 40.709 -4.409 18292 4470 1 8 . 1 1 15 15 PHE H H 15 6.804 6.804 7.366 -0.562 18292 4471 1 8 . 1 1 16 16 ASN N N 16 117.922 117.922 115.250 2.672 18292 4472 1 8 . 1 1 16 16 ASN HA H 16 4.932 4.932 5.236 -0.304 18292 4473 1 8 . 1 1 16 16 ASN CA C 16 47.510 47.510 50.547 -3.037 18292 4474 1 8 . 1 1 16 16 ASN CB C 16 36.512 36.512 39.445 -2.933 18292 4475 1 8 . 1 1 16 16 ASN H H 16 8.681 8.681 8.561 0.120 18292 4476 1 8 . 1 1 17 17 PRO HA H 17 4.102 4.102 4.768 -0.666 18292 4477 1 8 . 1 1 17 17 PRO C C 17 174.773 174.773 177.576 -2.803 18292 4478 1 8 . 1 1 17 17 PRO CA C 17 61.933 61.933 64.713 -2.780 18292 4479 1 8 . 1 1 17 17 PRO CB C 17 29.557 29.557 32.358 -2.801 18292 4480 1 8 . 1 1 18 18 GLN N N 18 116.462 116.462 116.952 -0.490 18292 4481 1 8 . 1 1 18 18 GLN HA H 18 4.146 4.146 4.270 -0.124 18292 4482 1 8 . 1 1 18 18 GLN C C 18 174.423 174.423 175.809 -1.386 18292 4483 1 8 . 1 1 18 18 GLN CA C 18 54.067 54.067 56.899 -2.832 18292 4484 1 8 . 1 1 18 18 GLN CB C 18 26.326 26.326 28.532 -2.206 18292 4485 1 8 . 1 1 18 18 GLN H H 18 7.934 7.934 8.318 -0.384 18292 4486 1 8 . 1 1 19 19 THR N N 19 112.362 112.362 113.129 -0.767 18292 4487 1 8 . 1 1 19 19 THR HA H 19 4.176 4.176 4.496 -0.320 18292 4488 1 8 . 1 1 19 19 THR C C 19 171.908 171.908 172.931 -1.023 18292 4489 1 8 . 1 1 19 19 THR CA C 19 59.509 59.509 62.236 -2.727 18292 4490 1 8 . 1 1 19 19 THR CB C 19 66.360 66.360 69.455 -3.095 18292 4491 1 8 . 1 1 19 19 THR H H 19 7.723 7.723 7.564 0.159 18292 4492 1 8 . 1 1 20 20 GLU N N 20 120.326 120.326 121.970 -1.644 18292 4493 1 8 . 1 1 20 20 GLU HA H 20 3.658 3.658 4.003 -0.345 18292 4494 1 8 . 1 1 20 20 GLU C C 20 173.311 173.311 174.931 -1.620 18292 4495 1 8 . 1 1 20 20 GLU CA C 20 53.164 53.164 56.019 -2.855 18292 4496 1 8 . 1 1 20 20 GLU CB C 20 25.837 25.837 29.943 -4.106 18292 4497 1 8 . 1 1 20 20 GLU H H 20 7.312 7.312 8.139 -0.827 18292 4498 1 8 . 1 1 21 21 GLU N N 21 120.796 120.796 121.914 -1.118 18292 4499 1 8 . 1 1 21 21 GLU HA H 21 4.162 4.162 4.373 -0.211 18292 4500 1 8 . 1 1 21 21 GLU C C 21 173.747 173.747 176.041 -2.294 18292 4501 1 8 . 1 1 21 21 GLU CA C 21 53.873 53.873 56.514 -2.641 18292 4502 1 8 . 1 1 21 21 GLU CB C 21 28.445 28.445 30.632 -2.187 18292 4503 1 8 . 1 1 21 21 GLU H H 21 8.011 8.011 8.333 -0.322 18292 4504 1 8 . 1 1 22 22 GLU N N 22 121.370 121.370 119.771 1.599 18292 4505 1 8 . 1 1 22 22 GLU HA H 22 4.393 4.393 4.645 -0.252 18292 4506 1 8 . 1 1 22 22 GLU C C 22 173.536 173.536 174.794 -1.258 18292 4507 1 8 . 1 1 22 22 GLU CA C 22 52.982 52.982 55.283 -2.301 18292 4508 1 8 . 1 1 22 22 GLU CB C 22 28.012 28.012 31.955 -3.943 18292 4509 1 8 . 1 1 22 22 GLU H H 22 8.039 8.039 7.780 0.259 18292 4510 1 8 . 1 1 23 23 VAL N N 23 123.340 123.340 120.123 3.217 18292 4511 1 8 . 1 1 23 23 VAL HA H 23 3.901 3.901 4.428 -0.527 18292 4512 1 8 . 1 1 23 23 VAL C C 23 175.077 175.077 177.107 -2.030 18292 4513 1 8 . 1 1 23 23 VAL CA C 23 61.540 61.540 61.852 -0.312 18292 4514 1 8 . 1 1 23 23 VAL CB C 23 29.361 29.361 33.084 -3.723 18292 4515 1 8 . 1 1 23 23 VAL H H 23 8.447 8.447 8.246 0.201 18292 4516 1 8 . 1 1 24 24 GLY N N 24 114.476 114.476 115.984 -1.508 18292 4517 1 8 . 1 1 24 24 GLY C C 24 173.717 173.717 175.782 -2.065 18292 4518 1 8 . 1 1 24 24 GLY CA C 24 42.667 42.667 45.180 -2.513 18292 4519 1 8 . 1 1 24 24 GLY H H 24 9.087 9.087 8.840 0.247 18292 4520 1 8 . 1 1 25 25 TRP N N 25 121.382 121.382 120.041 1.341 18292 4521 1 8 . 1 1 25 25 TRP HA H 25 4.214 4.214 4.694 -0.480 18292 4522 1 8 . 1 1 25 25 TRP C C 25 174.056 174.056 175.773 -1.717 18292 4523 1 8 . 1 1 25 25 TRP CA C 25 56.093 56.093 57.154 -1.060 18292 4524 1 8 . 1 1 25 25 TRP CB C 25 25.016 25.016 28.710 -3.694 18292 4525 1 8 . 1 1 26 26 ASP N N 26 118.789 118.789 120.044 -1.255 18292 4526 1 8 . 1 1 26 26 ASP HA H 26 3.261 3.261 4.062 -0.801 18292 4527 1 8 . 1 1 26 26 ASP C C 26 174.709 174.709 177.978 -3.269 18292 4528 1 8 . 1 1 26 26 ASP CA C 26 52.705 52.705 56.458 -3.753 18292 4529 1 8 . 1 1 26 26 ASP CB C 26 34.503 34.503 39.478 -4.975 18292 4530 1 8 . 1 1 26 26 ASP H H 26 7.939 7.939 7.785 0.154 18292 4531 1 8 . 1 1 27 27 THR N N 27 118.934 118.934 116.572 2.362 18292 4532 1 8 . 1 1 27 27 THR HA H 27 3.552 3.552 4.021 -0.469 18292 4533 1 8 . 1 1 27 27 THR C C 27 172.390 172.390 176.449 -4.059 18292 4534 1 8 . 1 1 27 27 THR CA C 27 63.307 63.307 66.757 -3.450 18292 4535 1 8 . 1 1 27 27 THR CB C 27 65.331 65.331 68.774 -3.443 18292 4536 1 8 . 1 1 27 27 THR H H 27 7.103 7.103 8.149 -1.046 18292 4537 1 8 . 1 1 28 28 GLU N N 28 120.484 120.484 121.149 -0.665 18292 4538 1 8 . 1 1 28 28 GLU HA H 28 3.978 3.978 4.160 -0.182 18292 4539 1 8 . 1 1 28 28 GLU C C 28 175.447 175.447 178.533 -3.086 18292 4540 1 8 . 1 1 28 28 GLU CA C 28 56.760 56.760 59.271 -2.511 18292 4541 1 8 . 1 1 28 28 GLU CB C 28 26.418 26.418 28.726 -2.308 18292 4542 1 8 . 1 1 28 28 GLU H H 28 7.473 7.473 8.429 -0.956 18292 4543 1 8 . 1 1 29 29 ILE N N 29 116.961 116.961 120.262 -3.301 18292 4544 1 8 . 1 1 29 29 ILE HA H 29 3.773 3.773 4.015 -0.242 18292 4545 1 8 . 1 1 29 29 ILE C C 29 174.605 174.605 177.709 -3.104 18292 4546 1 8 . 1 1 29 29 ILE CA C 29 61.243 61.243 63.749 -2.506 18292 4547 1 8 . 1 1 29 29 ILE CB C 29 35.267 35.267 38.076 -2.809 18292 4548 1 8 . 1 1 29 29 ILE H H 29 7.113 7.113 7.615 -0.502 18292 4549 1 8 . 1 1 30 30 LYS N N 30 118.457 118.457 121.424 -2.967 18292 4550 1 8 . 1 1 30 30 LYS HA H 30 3.430 3.430 3.850 -0.420 18292 4551 1 8 . 1 1 30 30 LYS C C 30 174.886 174.886 178.219 -3.333 18292 4552 1 8 . 1 1 30 30 LYS CA C 30 57.872 57.872 60.323 -2.451 18292 4553 1 8 . 1 1 30 30 LYS CB C 30 29.680 29.680 32.242 -2.562 18292 4554 1 8 . 1 1 30 30 LYS H H 30 7.480 7.480 8.254 -0.774 18292 4555 1 8 . 1 1 31 31 ASP N N 31 118.630 118.630 118.811 -0.181 18292 4556 1 8 . 1 1 31 31 ASP HA H 31 4.233 4.233 4.377 -0.144 18292 4557 1 8 . 1 1 31 31 ASP C C 31 175.558 175.558 178.578 -3.020 18292 4558 1 8 . 1 1 31 31 ASP CA C 31 55.137 55.137 57.432 -2.295 18292 4559 1 8 . 1 1 31 31 ASP CB C 31 36.829 36.829 40.657 -3.828 18292 4560 1 8 . 1 1 31 31 ASP H H 31 8.334 8.334 7.742 0.592 18292 4561 1 8 . 1 1 32 32 ASP N N 32 120.576 120.576 118.399 2.177 18292 4562 1 8 . 1 1 32 32 ASP HA H 32 4.277 4.277 4.588 -0.311 18292 4563 1 8 . 1 1 32 32 ASP C C 32 176.966 176.966 178.250 -1.284 18292 4564 1 8 . 1 1 32 32 ASP CA C 32 54.829 54.829 57.088 -2.259 18292 4565 1 8 . 1 1 32 32 ASP CB C 32 37.331 37.331 41.157 -3.826 18292 4566 1 8 . 1 1 32 32 ASP H H 32 8.189 8.189 7.698 0.491 18292 4567 1 8 . 1 1 33 33 VAL N N 33 121.083 121.083 119.578 1.505 18292 4568 1 8 . 1 1 33 33 VAL HA H 33 3.444 3.444 3.820 -0.376 18292 4569 1 8 . 1 1 33 33 VAL C C 33 175.529 175.529 177.767 -2.238 18292 4570 1 8 . 1 1 33 33 VAL CA C 33 64.511 64.511 65.332 -0.821 18292 4571 1 8 . 1 1 33 33 VAL CB C 33 28.920 28.920 31.509 -2.589 18292 4572 1 8 . 1 1 33 33 VAL H H 33 8.069 8.069 7.571 0.498 18292 4573 1 8 . 1 1 34 34 ILE N N 34 122.145 122.145 120.210 1.935 18292 4574 1 8 . 1 1 34 34 ILE HA H 34 3.272 3.272 3.591 -0.319 18292 4575 1 8 . 1 1 34 34 ILE C C 34 174.723 174.723 177.850 -3.127 18292 4576 1 8 . 1 1 34 34 ILE CA C 34 63.723 63.723 65.498 -1.775 18292 4577 1 8 . 1 1 34 34 ILE CB C 34 35.949 35.949 37.321 -1.371 18292 4578 1 8 . 1 1 34 34 ILE H H 34 8.887 8.887 7.620 1.267 18292 4579 1 8 . 1 1 35 35 GLU N N 35 117.927 117.927 119.977 -2.050 18292 4580 1 8 . 1 1 35 35 GLU HA H 35 3.830 3.830 3.880 -0.050 18292 4581 1 8 . 1 1 35 35 GLU C C 35 176.747 176.747 178.871 -2.124 18292 4582 1 8 . 1 1 35 35 GLU CA C 35 57.183 57.183 60.329 -3.146 18292 4583 1 8 . 1 1 35 35 GLU CB C 35 26.969 26.969 29.224 -2.255 18292 4584 1 8 . 1 1 35 35 GLU H H 35 8.565 8.565 7.773 0.792 18292 4585 1 8 . 1 1 36 36 GLU N N 36 117.299 117.299 118.969 -1.670 18292 4586 1 8 . 1 1 36 36 GLU HA H 36 4.012 4.012 4.158 -0.146 18292 4587 1 8 . 1 1 36 36 GLU C C 36 176.604 176.604 179.151 -2.547 18292 4588 1 8 . 1 1 36 36 GLU CA C 36 56.357 56.357 58.858 -2.502 18292 4589 1 8 . 1 1 36 36 GLU CB C 36 26.612 26.612 29.233 -2.621 18292 4590 1 8 . 1 1 36 36 GLU H H 36 7.523 7.523 7.904 -0.381 18292 4591 1 8 . 1 1 37 37 CYS N N 37 116.308 116.308 118.266 -1.958 18292 4592 1 8 . 1 1 37 37 CYS HA H 37 4.141 4.141 3.822 0.319 18292 4593 1 8 . 1 1 37 37 CYS C C 37 175.888 175.888 176.802 -0.914 18292 4594 1 8 . 1 1 37 37 CYS CA C 37 61.915 61.915 62.539 -0.624 18292 4595 1 8 . 1 1 37 37 CYS CB C 37 24.513 24.513 26.460 -1.947 18292 4596 1 8 . 1 1 37 37 CYS H H 37 8.754 8.754 8.372 0.382 18292 4597 1 8 . 1 1 38 38 ASN N N 38 121.598 121.598 118.904 2.694 18292 4598 1 8 . 1 1 38 38 ASN HA H 38 4.452 4.452 4.391 0.061 18292 4599 1 8 . 1 1 38 38 ASN C C 38 174.340 174.340 177.889 -3.549 18292 4600 1 8 . 1 1 38 38 ASN CA C 38 52.249 52.249 55.638 -3.389 18292 4601 1 8 . 1 1 38 38 ASN CB C 38 34.488 34.488 37.717 -3.229 18292 4602 1 8 . 1 1 38 38 ASN H H 38 8.800 8.800 8.409 0.391 18292 4603 1 8 . 1 1 39 39 LYS N N 39 119.297 119.297 119.808 -0.511 18292 4604 1 8 . 1 1 39 39 LYS HA H 39 4.002 4.002 4.005 -0.003 18292 4605 1 8 . 1 1 39 39 LYS C C 39 174.388 174.388 177.968 -3.580 18292 4606 1 8 . 1 1 39 39 LYS CA C 39 55.239 55.239 59.250 -4.011 18292 4607 1 8 . 1 1 39 39 LYS CB C 39 29.477 29.477 32.477 -3.000 18292 4608 1 8 . 1 1 39 39 LYS H H 39 7.427 7.427 8.390 -0.963 18292 4609 1 8 . 1 1 40 40 HIS N N 40 114.421 114.421 112.999 1.422 18292 4610 1 8 . 1 1 40 40 HIS HA H 40 4.896 4.896 4.641 0.255 18292 4611 1 8 . 1 1 40 40 HIS C C 40 171.895 171.895 175.771 -3.876 18292 4612 1 8 . 1 1 40 40 HIS CA C 40 51.758 51.758 55.669 -3.911 18292 4613 1 8 . 1 1 40 40 HIS CB C 40 28.775 28.775 30.329 -1.554 18292 4614 1 8 . 1 1 40 40 HIS H H 40 7.453 7.453 7.406 0.047 18292 4615 1 8 . 1 1 41 41 GLY N N 41 106.587 106.587 104.391 2.196 18292 4616 1 8 . 1 1 41 41 GLY C C 41 171.376 171.376 174.242 -2.866 18292 4617 1 8 . 1 1 41 41 GLY CA C 41 42.388 42.388 44.588 -2.200 18292 4618 1 8 . 1 1 41 41 GLY H H 41 7.599 7.599 7.301 0.298 18292 4619 1 8 . 1 1 42 42 GLY N N 42 107.066 107.066 109.400 -2.334 18292 4620 1 8 . 1 1 42 42 GLY C C 42 169.120 169.120 172.251 -3.131 18292 4621 1 8 . 1 1 42 42 GLY CA C 42 41.518 41.518 44.968 -3.450 18292 4622 1 8 . 1 1 42 42 GLY H H 42 7.942 7.942 7.743 0.199 18292 4623 1 8 . 1 1 43 43 VAL N N 43 114.640 114.640 118.308 -3.668 18292 4624 1 8 . 1 1 43 43 VAL HA H 43 4.527 4.527 4.568 -0.041 18292 4625 1 8 . 1 1 43 43 VAL C C 43 169.861 169.861 174.533 -4.672 18292 4626 1 8 . 1 1 43 43 VAL CA C 43 58.404 58.404 60.236 -1.832 18292 4627 1 8 . 1 1 43 43 VAL CB C 43 31.692 31.692 35.793 -4.101 18292 4628 1 8 . 1 1 43 43 VAL H H 43 8.679 8.679 8.358 0.321 18292 4629 1 8 . 1 1 44 44 ILE N N 44 115.792 115.792 122.355 -6.563 18292 4630 1 8 . 1 1 44 44 ILE HA H 44 4.918 4.918 4.918 0.000 18292 4631 1 8 . 1 1 44 44 ILE C C 44 172.246 172.246 174.790 -2.544 18292 4632 1 8 . 1 1 44 44 ILE CA C 44 57.770 57.770 60.688 -2.918 18292 4633 1 8 . 1 1 44 44 ILE CB C 44 37.197 37.197 39.026 -1.829 18292 4634 1 8 . 1 1 44 44 ILE H H 44 8.587 8.587 8.115 0.472 18292 4635 1 8 . 1 1 45 45 HIS N N 45 122.684 122.684 118.070 4.614 18292 4636 1 8 . 1 1 45 45 HIS HA H 45 4.426 4.426 4.802 -0.376 18292 4637 1 8 . 1 1 45 45 HIS C C 45 168.452 168.452 172.591 -4.139 18292 4638 1 8 . 1 1 45 45 HIS CA C 45 55.548 55.548 56.122 -0.574 18292 4639 1 8 . 1 1 45 45 HIS CB C 45 31.632 31.632 33.430 -1.798 18292 4640 1 8 . 1 1 45 45 HIS H H 45 7.791 7.791 7.507 0.284 18292 4641 1 8 . 1 1 46 46 ILE N N 46 123.917 123.917 125.537 -1.620 18292 4642 1 8 . 1 1 46 46 ILE HA H 46 5.120 5.120 4.837 0.283 18292 4643 1 8 . 1 1 46 46 ILE C C 46 170.171 170.171 173.160 -2.989 18292 4644 1 8 . 1 1 46 46 ILE CA C 46 56.063 56.063 59.413 -3.349 18292 4645 1 8 . 1 1 46 46 ILE CB C 46 39.753 39.753 42.046 -2.293 18292 4646 1 8 . 1 1 46 46 ILE H H 46 7.391 7.391 7.918 -0.527 18292 4647 1 8 . 1 1 47 47 TYR N N 47 125.750 125.750 128.517 -2.767 18292 4648 1 8 . 1 1 47 47 TYR HA H 47 4.370 4.370 4.649 -0.279 18292 4649 1 8 . 1 1 47 47 TYR C C 47 171.029 171.029 172.982 -1.953 18292 4650 1 8 . 1 1 47 47 TYR CA C 47 54.800 54.800 57.610 -2.810 18292 4651 1 8 . 1 1 47 47 TYR CB C 47 39.851 39.851 41.037 -1.186 18292 4652 1 8 . 1 1 47 47 TYR H H 47 9.055 9.055 8.679 0.376 18292 4653 1 8 . 1 1 48 48 VAL N N 48 129.720 129.720 128.755 0.965 18292 4654 1 8 . 1 1 48 48 VAL HA H 48 3.869 3.869 4.146 -0.277 18292 4655 1 8 . 1 1 48 48 VAL C C 48 170.949 170.949 173.892 -2.943 18292 4656 1 8 . 1 1 48 48 VAL CA C 48 59.328 59.328 61.496 -2.168 18292 4657 1 8 . 1 1 48 48 VAL CB C 48 29.022 29.022 32.932 -3.910 18292 4658 1 8 . 1 1 48 48 VAL H H 48 8.290 8.290 8.360 -0.070 18292 4659 1 8 . 1 1 49 49 ASP N N 49 125.287 125.287 127.934 -2.647 18292 4660 1 8 . 1 1 49 49 ASP HA H 49 4.703 4.703 4.453 0.250 18292 4661 1 8 . 1 1 49 49 ASP C C 49 173.851 173.851 176.395 -2.544 18292 4662 1 8 . 1 1 49 49 ASP CA C 49 50.349 50.349 53.753 -3.404 18292 4663 1 8 . 1 1 49 49 ASP CB C 49 38.139 38.139 42.022 -3.883 18292 4664 1 8 . 1 1 49 49 ASP H H 49 8.274 8.274 8.116 0.158 18292 4665 1 8 . 1 1 50 50 LYS N N 50 125.099 125.099 125.175 -0.076 18292 4666 1 8 . 1 1 50 50 LYS HA H 50 4.096 4.096 3.941 0.155 18292 4667 1 8 . 1 1 50 50 LYS C C 50 173.120 173.120 178.181 -5.061 18292 4668 1 8 . 1 1 50 50 LYS CA C 50 56.284 56.284 58.593 -2.309 18292 4669 1 8 . 1 1 50 50 LYS CB C 50 29.763 29.763 32.554 -2.791 18292 4670 1 8 . 1 1 50 50 LYS H H 50 8.090 8.090 8.630 -0.540 18292 4671 1 8 . 1 1 51 51 ASN N N 51 114.422 114.422 116.480 -2.058 18292 4672 1 8 . 1 1 51 51 ASN HA H 51 4.931 4.931 4.660 0.272 18292 4673 1 8 . 1 1 51 51 ASN C C 51 172.685 172.685 175.425 -2.740 18292 4674 1 8 . 1 1 51 51 ASN CA C 51 50.744 50.744 54.397 -3.653 18292 4675 1 8 . 1 1 51 51 ASN CB C 51 37.036 37.036 38.989 -1.954 18292 4676 1 8 . 1 1 51 51 ASN H H 51 8.272 8.272 8.297 -0.025 18292 4677 1 8 . 1 1 52 52 SER N N 52 115.013 115.013 115.809 -0.796 18292 4678 1 8 . 1 1 52 52 SER HA H 52 4.410 4.410 4.431 -0.021 18292 4679 1 8 . 1 1 52 52 SER C C 52 172.628 172.628 174.717 -2.089 18292 4680 1 8 . 1 1 52 52 SER CA C 52 55.035 55.035 59.074 -4.039 18292 4681 1 8 . 1 1 52 52 SER CB C 52 61.604 61.604 64.176 -2.572 18292 4682 1 8 . 1 1 52 52 SER H H 52 7.920 7.920 7.596 0.324 18292 4683 1 8 . 1 1 53 53 ALA N N 53 129.163 129.163 126.217 2.946 18292 4684 1 8 . 1 1 53 53 ALA HA H 53 4.088 4.088 4.385 -0.297 18292 4685 1 8 . 1 1 53 53 ALA C C 53 175.951 175.951 178.454 -2.503 18292 4686 1 8 . 1 1 53 53 ALA CA C 53 51.409 51.409 53.150 -1.741 18292 4687 1 8 . 1 1 53 53 ALA CB C 53 15.878 15.878 19.594 -3.716 18292 4688 1 8 . 1 1 53 53 ALA H H 53 8.837 8.837 8.495 0.342 18292 4689 1 8 . 1 1 54 54 GLN N N 54 113.081 113.081 118.073 -4.992 18292 4690 1 8 . 1 1 54 54 GLN HA H 54 4.202 4.202 4.452 -0.250 18292 4691 1 8 . 1 1 54 54 GLN C C 54 173.388 173.388 175.154 -1.766 18292 4692 1 8 . 1 1 54 54 GLN CA C 54 52.993 52.993 54.179 -1.186 18292 4693 1 8 . 1 1 54 54 GLN CB C 54 26.360 26.360 29.062 -2.702 18292 4694 1 8 . 1 1 54 54 GLN H H 54 7.836 7.836 8.241 -0.405 18292 4695 1 8 . 1 1 55 55 GLY N N 55 108.967 108.967 107.818 1.149 18292 4696 1 8 . 1 1 55 55 GLY CA C 55 45.087 45.087 45.142 -0.055 18292 4697 1 8 . 1 1 55 55 GLY H H 55 7.191 7.191 8.402 -1.211 18292 4698 1 8 . 1 1 56 56 ASN N N 56 114.505 114.505 117.971 -3.466 18292 4699 1 8 . 1 1 56 56 ASN HA H 56 5.520 5.520 4.949 0.571 18292 4700 1 8 . 1 1 56 56 ASN C C 56 172.166 172.166 174.369 -2.203 18292 4701 1 8 . 1 1 56 56 ASN CA C 56 50.462 50.462 52.971 -2.509 18292 4702 1 8 . 1 1 56 56 ASN CB C 56 38.400 38.400 40.420 -2.020 18292 4703 1 8 . 1 1 56 56 ASN H H 56 7.614 7.614 7.365 0.249 18292 4704 1 8 . 1 1 57 57 VAL N N 57 119.859 119.859 120.949 -1.090 18292 4705 1 8 . 1 1 57 57 VAL HA H 57 4.692 4.692 4.264 0.428 18292 4706 1 8 . 1 1 57 57 VAL C C 57 170.667 170.667 173.800 -3.133 18292 4707 1 8 . 1 1 57 57 VAL CA C 57 58.163 58.163 61.001 -2.838 18292 4708 1 8 . 1 1 57 57 VAL CB C 57 33.663 33.663 36.184 -2.521 18292 4709 1 8 . 1 1 57 57 VAL H H 57 8.354 8.354 7.604 0.750 18292 4710 1 8 . 1 1 58 58 TYR N N 58 128.478 128.478 123.877 4.601 18292 4711 1 8 . 1 1 58 58 TYR HA H 58 4.937 4.937 4.817 0.120 18292 4712 1 8 . 1 1 58 58 TYR C C 58 170.605 170.605 174.594 -3.989 18292 4713 1 8 . 1 1 58 58 TYR CA C 58 55.354 55.354 57.384 -2.030 18292 4714 1 8 . 1 1 58 58 TYR CB C 58 37.775 37.775 41.219 -3.444 18292 4715 1 8 . 1 1 58 58 TYR H H 58 9.275 9.275 9.152 0.123 18292 4716 1 8 . 1 1 59 59 VAL N N 59 123.117 123.117 120.463 2.654 18292 4717 1 8 . 1 1 59 59 VAL HA H 59 4.462 4.462 4.664 -0.202 18292 4718 1 8 . 1 1 59 59 VAL C C 59 170.875 170.875 173.982 -3.107 18292 4719 1 8 . 1 1 59 59 VAL CA C 59 58.527 58.527 60.483 -1.956 18292 4720 1 8 . 1 1 59 59 VAL CB C 59 32.611 32.611 35.533 -2.922 18292 4721 1 8 . 1 1 59 59 VAL H H 59 8.860 8.860 8.701 0.159 18292 4722 1 8 . 1 1 60 60 LYS N N 60 123.266 123.266 124.546 -1.280 18292 4723 1 8 . 1 1 60 60 LYS HA H 60 4.745 4.745 4.741 0.004 18292 4724 1 8 . 1 1 60 60 LYS C C 60 173.399 173.399 174.707 -1.308 18292 4725 1 8 . 1 1 60 60 LYS CA C 60 52.207 52.207 55.103 -2.896 18292 4726 1 8 . 1 1 60 60 LYS CB C 60 34.244 34.244 35.447 -1.203 18292 4727 1 8 . 1 1 60 60 LYS H H 60 8.668 8.668 8.091 0.577 18292 4728 1 8 . 1 1 61 61 CYS N N 61 125.267 125.267 126.687 -1.420 18292 4729 1 8 . 1 1 61 61 CYS HA H 61 4.740 4.740 4.695 0.045 18292 4730 1 8 . 1 1 61 61 CYS CA C 61 56.393 56.393 56.598 -0.205 18292 4731 1 8 . 1 1 61 61 CYS CB C 61 27.416 27.416 28.860 -1.444 18292 4732 1 8 . 1 1 61 61 CYS H H 61 9.207 9.207 8.812 0.395 18292 4733 1 8 . 1 1 62 62 PRO HA H 62 4.266 4.266 4.450 -0.184 18292 4734 1 8 . 1 1 62 62 PRO C C 62 171.443 171.443 175.950 -4.507 18292 4735 1 8 . 1 1 62 62 PRO CA C 62 61.167 61.167 63.791 -2.624 18292 4736 1 8 . 1 1 62 62 PRO CB C 62 29.450 29.450 32.233 -2.783 18292 4737 1 8 . 1 1 63 63 SER N N 63 108.558 108.558 113.100 -4.542 18292 4738 1 8 . 1 1 63 63 SER HA H 63 4.606 4.606 4.707 -0.101 18292 4739 1 8 . 1 1 63 63 SER C C 63 171.147 171.147 174.208 -3.061 18292 4740 1 8 . 1 1 63 63 SER CA C 63 53.259 53.259 56.840 -3.581 18292 4741 1 8 . 1 1 63 63 SER CB C 63 63.378 63.378 66.799 -3.421 18292 4742 1 8 . 1 1 63 63 SER H H 63 6.990 6.990 7.724 -0.734 18292 4743 1 8 . 1 1 64 64 ILE N N 64 122.885 122.885 125.186 -2.301 18292 4744 1 8 . 1 1 64 64 ILE HA H 64 3.462 3.462 3.714 -0.252 18292 4745 1 8 . 1 1 64 64 ILE C C 64 174.204 174.204 177.513 -3.309 18292 4746 1 8 . 1 1 64 64 ILE CA C 64 62.955 62.955 65.316 -2.361 18292 4747 1 8 . 1 1 64 64 ILE CB C 64 35.297 35.297 37.671 -2.374 18292 4748 1 8 . 1 1 64 64 ILE H H 64 8.786 8.786 8.868 -0.082 18292 4749 1 8 . 1 1 65 65 ALA N N 65 120.653 120.653 122.541 -1.888 18292 4750 1 8 . 1 1 65 65 ALA HA H 65 3.890 3.890 3.882 0.008 18292 4751 1 8 . 1 1 65 65 ALA C C 65 177.926 177.926 179.075 -1.149 18292 4752 1 8 . 1 1 65 65 ALA CA C 65 52.772 52.772 55.170 -2.398 18292 4753 1 8 . 1 1 65 65 ALA CB C 65 15.552 15.552 17.711 -2.159 18292 4754 1 8 . 1 1 65 65 ALA H H 65 8.287 8.287 8.441 -0.154 18292 4755 1 8 . 1 1 66 66 ALA N N 66 119.802 119.802 120.882 -1.080 18292 4756 1 8 . 1 1 66 66 ALA HA H 66 4.344 4.344 3.903 0.441 18292 4757 1 8 . 1 1 66 66 ALA C C 66 176.063 176.063 178.885 -2.822 18292 4758 1 8 . 1 1 66 66 ALA CA C 66 52.108 52.108 54.489 -2.381 18292 4759 1 8 . 1 1 66 66 ALA CB C 66 16.106 16.106 18.359 -2.253 18292 4760 1 8 . 1 1 66 66 ALA H H 66 7.952 7.952 7.502 0.450 18292 4761 1 8 . 1 1 67 67 ALA N N 67 121.626 121.626 121.942 -0.316 18292 4762 1 8 . 1 1 67 67 ALA HA H 67 4.398 4.398 3.797 0.601 18292 4763 1 8 . 1 1 67 67 ALA C C 67 175.824 175.824 179.264 -3.440 18292 4764 1 8 . 1 1 67 67 ALA CA C 67 53.135 53.135 54.573 -1.438 18292 4765 1 8 . 1 1 67 67 ALA CB C 67 17.020 17.020 18.175 -1.155 18292 4766 1 8 . 1 1 67 67 ALA H H 67 7.332 7.332 7.310 0.022 18292 4767 1 8 . 1 1 68 68 ILE N N 68 117.793 117.793 119.508 -1.715 18292 4768 1 8 . 1 1 68 68 ILE HA H 68 4.185 4.185 3.602 0.583 18292 4769 1 8 . 1 1 68 68 ILE C C 68 176.163 176.163 177.989 -1.826 18292 4770 1 8 . 1 1 68 68 ILE CA C 68 61.323 61.323 65.289 -3.966 18292 4771 1 8 . 1 1 68 68 ILE CB C 68 36.657 36.657 37.782 -1.125 18292 4772 1 8 . 1 1 68 68 ILE H H 68 8.655 8.655 8.511 0.144 18292 4773 1 8 . 1 1 69 69 ALA N N 69 119.051 119.051 120.592 -1.541 18292 4774 1 8 . 1 1 69 69 ALA HA H 69 3.836 3.836 3.899 -0.063 18292 4775 1 8 . 1 1 69 69 ALA C C 69 177.325 177.325 179.363 -2.038 18292 4776 1 8 . 1 1 69 69 ALA CA C 69 51.781 51.781 54.931 -3.150 18292 4777 1 8 . 1 1 69 69 ALA CB C 69 15.767 15.767 17.865 -2.098 18292 4778 1 8 . 1 1 69 69 ALA H H 69 7.377 7.377 7.396 -0.019 18292 4779 1 8 . 1 1 70 70 ALA N N 70 121.378 121.378 121.599 -0.221 18292 4780 1 8 . 1 1 70 70 ALA HA H 70 3.544 3.544 3.984 -0.440 18292 4781 1 8 . 1 1 70 70 ALA C C 70 176.012 176.012 179.325 -3.313 18292 4782 1 8 . 1 1 70 70 ALA CA C 70 52.966 52.966 55.144 -2.178 18292 4783 1 8 . 1 1 70 70 ALA CB C 70 16.740 16.740 18.033 -1.293 18292 4784 1 8 . 1 1 70 70 ALA H H 70 7.798 7.798 7.306 0.492 18292 4785 1 8 . 1 1 71 71 VAL N N 71 119.944 119.944 118.182 1.762 18292 4786 1 8 . 1 1 71 71 VAL HA H 71 2.524 2.524 3.245 -0.721 18292 4787 1 8 . 1 1 71 71 VAL C C 71 175.408 175.408 177.984 -2.576 18292 4788 1 8 . 1 1 71 71 VAL CA C 71 64.993 64.993 66.505 -1.512 18292 4789 1 8 . 1 1 71 71 VAL CB C 71 28.184 28.184 30.601 -2.417 18292 4790 1 8 . 1 1 71 71 VAL H H 71 8.662 8.662 7.921 0.741 18292 4791 1 8 . 1 1 72 72 ASN N N 72 114.981 114.981 117.897 -2.916 18292 4792 1 8 . 1 1 72 72 ASN HA H 72 4.244 4.244 4.366 -0.122 18292 4793 1 8 . 1 1 72 72 ASN C C 72 174.490 174.490 176.463 -1.973 18292 4794 1 8 . 1 1 72 72 ASN CA C 72 52.776 52.776 55.757 -2.981 18292 4795 1 8 . 1 1 72 72 ASN CB C 72 35.394 35.394 38.346 -2.952 18292 4796 1 8 . 1 1 72 72 ASN H H 72 8.061 8.061 8.448 -0.387 18292 4797 1 8 . 1 1 73 73 ALA N N 73 120.308 120.308 121.381 -1.073 18292 4798 1 8 . 1 1 73 73 ALA HA H 73 4.162 4.162 4.146 0.016 18292 4799 1 8 . 1 1 73 73 ALA C C 73 176.245 176.245 178.855 -2.610 18292 4800 1 8 . 1 1 73 73 ALA CA C 73 51.058 51.058 54.414 -3.356 18292 4801 1 8 . 1 1 73 73 ALA CB C 73 17.457 17.457 19.098 -1.641 18292 4802 1 8 . 1 1 73 73 ALA H H 73 7.230 7.230 7.890 -0.660 18292 4803 1 8 . 1 1 74 74 LEU N N 74 118.156 118.156 117.703 0.453 18292 4804 1 8 . 1 1 74 74 LEU HA H 74 4.021 4.021 4.262 -0.241 18292 4805 1 8 . 1 1 74 74 LEU C C 74 173.863 173.863 177.431 -3.568 18292 4806 1 8 . 1 1 74 74 LEU CA C 74 53.853 53.853 56.797 -2.944 18292 4807 1 8 . 1 1 74 74 LEU CB C 74 41.552 41.552 42.586 -1.034 18292 4808 1 8 . 1 1 74 74 LEU H H 74 7.856 7.856 7.721 0.135 18292 4809 1 8 . 1 1 75 75 HIS N N 75 117.126 117.126 118.478 -1.352 18292 4810 1 8 . 1 1 75 75 HIS HA H 75 3.830 3.830 4.235 -0.405 18292 4811 1 8 . 1 1 75 75 HIS C C 75 174.851 174.851 175.975 -1.124 18292 4812 1 8 . 1 1 75 75 HIS CA C 75 56.621 56.621 57.777 -1.156 18292 4813 1 8 . 1 1 75 75 HIS CB C 75 28.299 28.299 29.402 -1.103 18292 4814 1 8 . 1 1 75 75 HIS H H 75 8.434 8.434 8.229 0.205 18292 4815 1 8 . 1 1 76 76 GLY N N 76 116.761 116.761 115.200 1.561 18292 4816 1 8 . 1 1 76 76 GLY CA C 76 42.221 42.221 44.698 -2.477 18292 4817 1 8 . 1 1 76 76 GLY H H 76 8.418 8.418 8.802 -0.384 18292 4818 1 8 . 1 1 77 77 ARG N N 77 120.430 120.430 120.420 0.010 18292 4819 1 8 . 1 1 77 77 ARG HA H 77 4.248 4.248 4.408 -0.160 18292 4820 1 8 . 1 1 77 77 ARG C C 77 173.536 173.536 174.912 -1.376 18292 4821 1 8 . 1 1 77 77 ARG CA C 77 53.029 53.029 56.132 -3.103 18292 4822 1 8 . 1 1 77 77 ARG CB C 77 29.058 29.058 31.849 -2.791 18292 4823 1 8 . 1 1 77 77 ARG H H 77 7.385 7.385 7.952 -0.567 18292 4824 1 8 . 1 1 78 78 TRP N N 78 122.989 122.989 121.643 1.346 18292 4825 1 8 . 1 1 78 78 TRP HA H 78 4.941 4.941 4.748 0.193 18292 4826 1 8 . 1 1 78 78 TRP C C 78 173.888 173.888 176.525 -2.637 18292 4827 1 8 . 1 1 78 78 TRP CA C 78 54.234 54.234 56.666 -2.432 18292 4828 1 8 . 1 1 78 78 TRP CB C 78 26.923 26.923 30.206 -3.283 18292 4829 1 8 . 1 1 78 78 TRP H H 78 8.463 8.463 8.575 -0.112 18292 4830 1 8 . 1 1 79 79 PHE N N 79 126.899 126.899 125.114 1.785 18292 4831 1 8 . 1 1 79 79 PHE HA H 79 4.637 4.637 4.725 -0.088 18292 4832 1 8 . 1 1 79 79 PHE C C 79 171.696 171.696 176.082 -4.386 18292 4833 1 8 . 1 1 79 79 PHE CA C 79 54.624 54.624 57.159 -2.535 18292 4834 1 8 . 1 1 79 79 PHE CB C 79 39.577 39.577 40.943 -1.366 18292 4835 1 8 . 1 1 79 79 PHE H H 79 9.500 9.500 9.141 0.359 18292 4836 1 8 . 1 1 80 80 ALA N N 80 130.285 130.285 123.549 6.736 18292 4837 1 8 . 1 1 80 80 ALA HA H 80 3.705 3.705 4.291 -0.586 18292 4838 1 8 . 1 1 80 80 ALA C C 80 174.560 174.560 177.526 -2.966 18292 4839 1 8 . 1 1 80 80 ALA CA C 80 49.993 49.993 52.169 -2.176 18292 4840 1 8 . 1 1 80 80 ALA CB C 80 14.479 14.479 17.265 -2.786 18292 4841 1 8 . 1 1 80 80 ALA H H 80 8.840 8.840 8.155 0.685 18292 4842 1 8 . 1 1 81 81 GLY N N 81 102.771 102.771 109.866 -7.095 18292 4843 1 8 . 1 1 81 81 GLY C C 81 171.087 171.087 173.426 -2.339 18292 4844 1 8 . 1 1 81 81 GLY CA C 81 42.891 42.891 45.306 -2.415 18292 4845 1 8 . 1 1 81 81 GLY H H 81 8.268 8.268 8.496 -0.228 18292 4846 1 8 . 1 1 82 82 LYS N N 82 120.307 120.307 117.230 3.077 18292 4847 1 8 . 1 1 82 82 LYS HA H 82 4.469 4.469 4.598 -0.129 18292 4848 1 8 . 1 1 82 82 LYS C C 82 170.688 170.688 174.388 -3.700 18292 4849 1 8 . 1 1 82 82 LYS CA C 82 52.029 52.029 54.561 -2.532 18292 4850 1 8 . 1 1 82 82 LYS CB C 82 32.776 32.776 34.654 -1.878 18292 4851 1 8 . 1 1 82 82 LYS H H 82 7.791 7.791 7.800 -0.009 18292 4852 1 8 . 1 1 83 83 MET N N 83 121.212 121.212 122.919 -1.707 18292 4853 1 8 . 1 1 83 83 MET HA H 83 3.871 3.871 4.164 -0.293 18292 4854 1 8 . 1 1 83 83 MET C C 83 173.474 173.474 174.932 -1.458 18292 4855 1 8 . 1 1 83 83 MET CA C 83 51.968 51.968 55.810 -3.842 18292 4856 1 8 . 1 1 83 83 MET CB C 83 30.275 30.275 33.276 -3.001 18292 4857 1 8 . 1 1 83 83 MET H H 83 7.953 7.953 8.540 -0.587 18292 4858 1 8 . 1 1 84 84 ILE N N 84 128.512 128.512 121.926 6.586 18292 4859 1 8 . 1 1 84 84 ILE HA H 84 4.230 4.230 4.299 -0.069 18292 4860 1 8 . 1 1 84 84 ILE C C 84 173.459 173.459 174.750 -1.291 18292 4861 1 8 . 1 1 84 84 ILE CA C 84 58.832 58.832 58.711 0.121 18292 4862 1 8 . 1 1 84 84 ILE CB C 84 36.088 36.088 39.216 -3.128 18292 4863 1 8 . 1 1 84 84 ILE H H 84 8.683 8.683 8.610 0.073 18292 4864 1 8 . 1 1 85 85 THR N N 85 115.456 115.456 116.654 -1.198 18292 4865 1 8 . 1 1 85 85 THR HA H 85 4.825 4.825 3.893 0.932 18292 4866 1 8 . 1 1 85 85 THR CA C 85 56.520 56.520 60.138 -3.618 18292 4867 1 8 . 1 1 85 85 THR CB C 85 68.803 68.803 71.180 -2.377 18292 4868 1 8 . 1 1 85 85 THR H H 85 7.318 7.318 8.175 -0.857 18292 4869 1 8 . 1 1 86 86 ALA N N 86 128.004 128.004 124.631 3.373 18292 4870 1 8 . 1 1 86 86 ALA HA H 86 5.542 5.542 5.394 0.148 18292 4871 1 8 . 1 1 86 86 ALA C C 86 173.070 173.070 175.705 -2.635 18292 4872 1 8 . 1 1 86 86 ALA CA C 86 47.491 47.491 49.484 -1.994 18292 4873 1 8 . 1 1 86 86 ALA CB C 86 22.241 22.241 22.055 0.186 18292 4874 1 8 . 1 1 86 86 ALA H H 86 10.712 10.712 7.862 2.850 18292 4875 1 8 . 1 1 87 87 ALA N N 87 122.902 122.902 119.790 3.112 18292 4876 1 8 . 1 1 87 87 ALA HA H 87 4.499 4.499 4.939 -0.440 18292 4877 1 8 . 1 1 87 87 ALA C C 87 173.781 173.781 175.328 -1.547 18292 4878 1 8 . 1 1 87 87 ALA CA C 87 47.989 47.989 51.035 -3.046 18292 4879 1 8 . 1 1 87 87 ALA CB C 87 19.981 19.981 21.687 -1.706 18292 4880 1 8 . 1 1 87 87 ALA H H 87 8.413 8.413 8.539 -0.126 18292 4881 1 8 . 1 1 88 88 TYR N N 88 120.267 120.267 120.579 -0.312 18292 4882 1 8 . 1 1 88 88 TYR HA H 88 4.723 4.723 4.765 -0.042 18292 4883 1 8 . 1 1 88 88 TYR C C 88 173.615 173.615 176.255 -2.640 18292 4884 1 8 . 1 1 88 88 TYR CA C 88 57.556 57.556 57.561 -0.005 18292 4885 1 8 . 1 1 88 88 TYR CB C 88 36.474 36.474 39.298 -2.824 18292 4886 1 8 . 1 1 88 88 TYR H H 88 8.311 8.311 8.777 -0.466 18292 4887 1 8 . 1 1 89 89 VAL N N 89 123.298 123.298 123.006 0.292 18292 4888 1 8 . 1 1 89 89 VAL HA H 89 4.696 4.696 4.657 0.039 18292 4889 1 8 . 1 1 89 89 VAL CA C 89 55.899 55.899 59.159 -3.260 18292 4890 1 8 . 1 1 89 89 VAL CB C 89 33.445 33.445 33.893 -0.448 18292 4891 1 8 . 1 1 89 89 VAL H H 89 8.420 8.420 9.157 -0.737 18292 4892 1 8 . 1 1 90 90 PRO HA H 90 4.450 4.450 4.555 -0.105 18292 4893 1 8 . 1 1 90 90 PRO CA C 90 60.310 60.310 63.048 -2.738 18292 4894 1 8 . 1 1 90 90 PRO CB C 90 30.489 30.489 32.237 -1.748 18292 4895 1 8 . 1 1 91 91 LEU N N 91 126.649 126.649 126.084 0.565 18292 4896 1 8 . 1 1 91 91 LEU HA H 91 3.975 3.975 4.077 -0.102 18292 4897 1 8 . 1 1 91 91 LEU CA C 91 56.691 56.691 59.678 -2.987 18292 4898 1 8 . 1 1 91 91 LEU CB C 91 37.139 37.139 39.887 -2.748 18292 4899 1 8 . 1 1 91 91 LEU H H 91 8.997 8.997 8.759 0.238 18292 4900 1 8 . 1 1 92 92 PRO HA H 92 4.211 4.211 4.406 -0.195 18292 4901 1 8 . 1 1 92 92 PRO C C 92 177.175 177.175 179.089 -1.914 18292 4902 1 8 . 1 1 92 92 PRO CA C 92 63.104 63.104 65.738 -2.634 18292 4903 1 8 . 1 1 92 92 PRO CB C 92 27.973 27.973 31.402 -3.429 18292 4904 1 8 . 1 1 93 93 THR N N 93 112.839 112.839 115.569 -2.730 18292 4905 1 8 . 1 1 93 93 THR HA H 93 3.827 3.827 4.168 -0.341 18292 4906 1 8 . 1 1 93 93 THR C C 93 172.669 172.669 176.248 -3.579 18292 4907 1 8 . 1 1 93 93 THR CA C 93 63.096 63.096 65.963 -2.867 18292 4908 1 8 . 1 1 93 93 THR CB C 93 65.968 65.968 69.033 -3.065 18292 4909 1 8 . 1 1 93 93 THR H H 93 6.528 6.528 7.822 -1.294 18292 4910 1 8 . 1 1 94 94 TYR N N 94 125.195 125.195 123.895 1.300 18292 4911 1 8 . 1 1 94 94 TYR HA H 94 3.515 3.515 4.103 -0.588 18292 4912 1 8 . 1 1 94 94 TYR C C 94 174.953 174.953 177.416 -2.463 18292 4913 1 8 . 1 1 94 94 TYR CA C 94 60.012 60.012 62.464 -2.452 18292 4914 1 8 . 1 1 94 94 TYR CB C 94 37.588 37.588 38.435 -0.847 18292 4915 1 8 . 1 1 94 94 TYR H H 94 8.263 8.263 7.913 0.350 18292 4916 1 8 . 1 1 95 95 HIS N N 95 114.994 114.994 117.103 -2.109 18292 4917 1 8 . 1 1 95 95 HIS HA H 95 4.187 4.187 4.485 -0.298 18292 4918 1 8 . 1 1 95 95 HIS C C 95 173.780 173.780 176.711 -2.931 18292 4919 1 8 . 1 1 95 95 HIS CA C 95 53.471 53.471 58.501 -5.030 18292 4920 1 8 . 1 1 95 95 HIS CB C 95 26.528 26.528 29.744 -3.216 18292 4921 1 8 . 1 1 95 95 HIS H H 95 8.529 8.529 8.047 0.482 18292 4922 1 8 . 1 1 96 96 ASN N N 96 116.599 116.599 115.878 0.721 18292 4923 1 8 . 1 1 96 96 ASN HA H 96 4.315 4.315 4.463 -0.148 18292 4924 1 8 . 1 1 96 96 ASN C C 96 175.849 175.849 176.702 -0.853 18292 4925 1 8 . 1 1 96 96 ASN CA C 96 52.814 52.814 55.257 -2.443 18292 4926 1 8 . 1 1 96 96 ASN CB C 96 36.453 36.453 38.658 -2.205 18292 4927 1 8 . 1 1 96 96 ASN H H 96 7.343 7.343 7.820 -0.477 18292 4928 1 8 . 1 1 97 97 LEU N N 97 119.316 119.316 118.265 1.051 18292 4929 1 8 . 1 1 97 97 LEU HA H 97 3.406 3.406 3.842 -0.436 18292 4930 1 8 . 1 1 97 97 LEU CA C 97 54.399 54.399 56.463 -2.064 18292 4931 1 8 . 1 1 97 97 LEU CB C 97 39.614 39.614 42.331 -2.717 18292 4932 1 8 . 1 1 97 97 LEU H H 97 7.299 7.299 7.350 -0.051 18292 4933 1 8 . 1 1 98 98 PHE N N 98 113.688 113.688 114.215 -0.527 18292 4934 1 8 . 1 1 98 98 PHE HA H 98 4.696 4.696 4.828 -0.132 18292 4935 1 8 . 1 1 98 98 PHE CA C 98 54.399 54.399 54.947 -0.548 18292 4936 1 8 . 1 1 98 98 PHE CB C 98 35.380 35.380 38.844 -3.465 18292 4937 1 8 . 1 1 98 98 PHE H H 98 7.795 7.795 8.044 -0.249 18292 4938 1 8 . 1 1 99 99 PRO HA H 99 4.430 4.430 4.433 -0.003 18292 4939 1 8 . 1 1 99 99 PRO C C 99 176.469 176.469 177.515 -1.046 18292 4940 1 8 . 1 1 99 99 PRO CA C 99 63.174 63.174 64.451 -1.277 18292 4941 1 8 . 1 1 99 99 PRO CB C 99 28.822 28.822 31.909 -3.087 18292 4942 1 8 . 1 1 100 100 ASP N N 100 115.482 115.482 119.801 -4.319 18292 4943 1 8 . 1 1 100 100 ASP HA H 100 4.306 4.306 4.461 -0.155 18292 4944 1 8 . 1 1 100 100 ASP C C 100 174.886 174.886 177.765 -2.879 18292 4945 1 8 . 1 1 100 100 ASP CA C 100 53.064 53.064 56.337 -3.273 18292 4946 1 8 . 1 1 100 100 ASP CB C 100 36.736 36.736 40.416 -3.680 18292 4947 1 8 . 1 1 100 100 ASP H H 100 8.897 8.897 8.684 0.213 18292 4948 1 8 . 1 1 101 101 SER N N 101 114.743 114.743 114.622 0.121 18292 4949 1 8 . 1 1 101 101 SER HA H 101 3.876 3.876 4.439 -0.563 18292 4950 1 8 . 1 1 101 101 SER C C 101 173.539 173.539 175.385 -1.846 18292 4951 1 8 . 1 1 101 101 SER CA C 101 58.183 58.183 60.606 -2.423 18292 4952 1 8 . 1 1 101 101 SER CB C 101 61.403 61.403 62.392 -0.989 18292 4953 1 8 . 1 1 101 101 SER H H 101 8.057 8.057 8.834 -0.777 18292 4954 1 8 . 1 1 102 102 MET N N 102 122.103 122.103 117.257 4.846 18292 4955 1 8 . 1 1 102 102 MET HA H 102 3.340 3.340 4.730 -1.390 18292 4956 1 8 . 1 1 102 102 MET C C 102 174.488 174.488 177.097 -2.609 18292 4957 1 8 . 1 1 102 102 MET CA C 102 56.606 56.606 57.538 -0.932 18292 4958 1 8 . 1 1 102 102 MET CB C 102 31.312 31.312 32.850 -1.538 18292 4959 1 8 . 1 1 102 102 MET H H 102 7.319 7.319 7.772 -0.453 18292 4960 1 8 . 1 1 103 103 THR N N 103 104.780 104.780 111.907 -7.127 18292 4961 1 8 . 1 1 103 103 THR HA H 103 4.318 4.318 4.480 -0.162 18292 4962 1 8 . 1 1 103 103 THR C C 103 171.121 171.121 174.644 -3.523 18292 4963 1 8 . 1 1 103 103 THR CA C 103 57.203 57.203 62.052 -4.849 18292 4964 1 8 . 1 1 103 103 THR CB C 103 65.753 65.753 70.418 -4.665 18292 4965 1 8 . 1 1 103 103 THR H H 103 7.216 7.216 8.192 -0.976 18292 4966 1 8 . 1 1 104 104 ALA N N 104 125.795 125.795 125.775 0.020 18292 4967 1 8 . 1 1 104 104 ALA HA H 104 4.347 4.347 4.261 0.086 18292 4968 1 8 . 1 1 104 104 ALA C C 104 174.370 174.370 177.328 -2.958 18292 4969 1 8 . 1 1 104 104 ALA CA C 104 50.244 50.244 53.139 -2.895 18292 4970 1 8 . 1 1 104 104 ALA CB C 104 16.077 16.077 19.203 -3.126 18292 4971 1 8 . 1 1 104 104 ALA H H 104 6.605 6.605 7.979 -1.374 18292 4972 1 8 . 1 1 105 105 THR N N 105 111.482 111.482 112.423 -0.941 18292 4973 1 8 . 1 1 105 105 THR HA H 105 4.390 4.390 4.451 -0.061 18292 4974 1 8 . 1 1 105 105 THR C C 105 171.563 171.563 174.131 -2.568 18292 4975 1 8 . 1 1 105 105 THR CA C 105 58.977 58.977 61.185 -2.208 18292 4976 1 8 . 1 1 105 105 THR CB C 105 68.537 68.537 68.693 -0.156 18292 4977 1 8 . 1 1 105 105 THR H H 105 8.698 8.698 8.231 0.467 18292 4978 1 8 . 1 1 106 106 GLN N N 106 123.003 123.003 120.525 2.478 18292 4979 1 8 . 1 1 106 106 GLN HA H 106 4.294 4.294 4.581 -0.287 18292 4980 1 8 . 1 1 106 106 GLN C C 106 172.973 172.973 174.437 -1.464 18292 4981 1 8 . 1 1 106 106 GLN CA C 106 52.710 52.710 54.215 -1.505 18292 4982 1 8 . 1 1 106 106 GLN CB C 106 27.282 27.282 29.993 -2.711 18292 4983 1 8 . 1 1 106 106 GLN H H 106 7.944 7.944 7.816 0.128 18292 4984 1 8 . 1 1 107 107 LEU N N 107 124.765 124.765 125.874 -1.109 18292 4985 1 8 . 1 1 107 107 LEU HA H 107 4.328 4.328 4.496 -0.168 18292 4986 1 8 . 1 1 107 107 LEU C C 107 174.110 174.110 177.298 -3.188 18292 4987 1 8 . 1 1 107 107 LEU CA C 107 52.798 52.798 54.907 -2.109 18292 4988 1 8 . 1 1 107 107 LEU CB C 107 37.829 37.829 42.820 -4.991 18292 4989 1 8 . 1 1 107 107 LEU H H 107 8.390 8.390 8.634 -0.244 18292 4990 1 8 . 1 1 108 108 LEU N N 108 122.332 122.332 123.874 -1.542 18292 4991 1 8 . 1 1 108 108 LEU HA H 108 4.259 4.259 4.492 -0.233 18292 4992 1 8 . 1 1 108 108 LEU C C 108 173.870 173.870 176.383 -2.513 18292 4993 1 8 . 1 1 108 108 LEU CA C 108 52.092 52.092 54.584 -2.493 18292 4994 1 8 . 1 1 108 108 LEU CB C 108 39.253 39.253 42.710 -3.457 18292 4995 1 8 . 1 1 108 108 LEU H H 108 8.480 8.480 8.456 0.024 18292 4996 1 8 . 1 1 109 109 VAL N N 109 115.421 115.421 114.463 0.958 18292 4997 1 8 . 1 1 109 109 VAL HA H 109 4.444 4.444 4.537 -0.093 18292 4998 1 8 . 1 1 109 109 VAL CA C 109 55.640 55.640 58.432 -2.792 18292 4999 1 8 . 1 1 109 109 VAL CB C 109 31.153 31.153 31.376 -0.223 18292 5000 1 8 . 1 1 109 109 VAL H H 109 8.007 8.007 8.028 -0.021 18292 5001 1 8 . 1 1 110 110 PRO HA H 110 4.361 4.361 4.744 -0.383 18292 5002 1 8 . 1 1 110 110 PRO C C 110 173.778 173.778 176.287 -2.509 18292 5003 1 8 . 1 1 110 110 PRO CA C 110 59.737 59.737 62.497 -2.760 18292 5004 1 8 . 1 1 110 110 PRO CB C 110 29.710 29.710 32.888 -3.178 18292 5005 1 8 . 1 1 111 111 SER N N 111 120.434 120.434 116.956 3.478 18292 5006 1 8 . 1 1 111 111 SER HA H 111 4.139 4.139 4.278 -0.139 18292 5007 1 8 . 1 1 111 111 SER C C 111 172.475 172.475 175.511 -3.036 18292 5008 1 8 . 1 1 111 111 SER CA C 111 57.674 57.674 60.970 -3.296 18292 5009 1 8 . 1 1 111 111 SER CB C 111 60.580 60.580 63.607 -3.027 18292 5010 1 8 . 1 1 111 111 SER H H 111 9.945 9.945 9.336 0.609 18292 5011 1 8 . 1 1 112 112 ARG N N 112 121.013 121.013 117.850 3.163 18292 5012 1 8 . 1 1 112 112 ARG HA H 112 4.253 4.253 4.578 -0.325 18292 5013 1 8 . 1 1 112 112 ARG C C 112 172.216 172.216 175.722 -3.506 18292 5014 1 8 . 1 1 112 112 ARG CA C 112 53.071 53.071 55.746 -2.675 18292 5015 1 8 . 1 1 112 112 ARG CB C 112 27.963 27.963 30.301 -2.338 18292 5016 1 8 . 1 1 112 112 ARG H H 112 7.861 7.861 8.138 -0.277 18292 5017 1 9 . 1 1 2 2 GLN N N 2 125.719 125.719 124.684 1.035 18292 5018 1 9 . 1 1 2 2 GLN HA H 2 4.571 4.571 4.536 0.035 18292 5019 1 9 . 1 1 2 2 GLN CA C 2 50.502 50.502 54.339 -3.837 18292 5020 1 9 . 1 1 2 2 GLN CB C 2 26.254 26.254 31.030 -4.776 18292 5021 1 9 . 1 1 2 2 GLN H H 2 8.471 8.471 8.488 -0.017 18292 5022 1 9 . 1 1 3 3 PRO HA H 3 4.311 4.311 4.482 -0.171 18292 5023 1 9 . 1 1 3 3 PRO C C 3 173.634 173.634 175.565 -1.931 18292 5024 1 9 . 1 1 3 3 PRO CA C 3 60.349 60.349 63.104 -2.755 18292 5025 1 9 . 1 1 3 3 PRO CB C 3 29.678 29.678 30.454 -0.776 18292 5026 1 9 . 1 1 4 4 LEU N N 4 122.253 122.253 114.699 7.554 18292 5027 1 9 . 1 1 4 4 LEU HA H 4 4.133 4.133 4.677 -0.544 18292 5028 1 9 . 1 1 4 4 LEU C C 4 172.946 172.946 174.774 -1.828 18292 5029 1 9 . 1 1 4 4 LEU CA C 4 51.900 51.900 54.502 -2.602 18292 5030 1 9 . 1 1 4 4 LEU CB C 4 39.711 39.711 41.940 -2.229 18292 5031 1 9 . 1 1 4 4 LEU H H 4 7.912 7.912 7.689 0.223 18292 5032 1 9 . 1 1 5 5 ALA N N 5 122.619 122.619 123.689 -1.070 18292 5033 1 9 . 1 1 5 5 ALA HA H 5 2.385 2.385 4.098 -1.713 18292 5034 1 9 . 1 1 5 5 ALA C C 5 174.164 174.164 176.502 -2.338 18292 5035 1 9 . 1 1 5 5 ALA CA C 5 49.205 49.205 51.011 -1.806 18292 5036 1 9 . 1 1 5 5 ALA CB C 5 17.058 17.058 19.077 -2.019 18292 5037 1 9 . 1 1 5 5 ALA H H 5 7.415 7.415 7.735 -0.320 18292 5038 1 9 . 1 1 6 6 THR N N 6 112.768 112.768 113.653 -0.885 18292 5039 1 9 . 1 1 6 6 THR HA H 6 4.393 4.393 4.521 -0.128 18292 5040 1 9 . 1 1 6 6 THR C C 6 168.908 168.908 175.217 -6.309 18292 5041 1 9 . 1 1 6 6 THR CA C 6 56.371 56.371 59.840 -3.469 18292 5042 1 9 . 1 1 6 6 THR CB C 6 68.874 68.874 71.211 -2.337 18292 5043 1 9 . 1 1 6 6 THR H H 6 6.601 6.601 7.629 -1.028 18292 5044 1 9 . 1 1 7 7 GLN N N 7 111.707 111.707 117.970 -6.263 18292 5045 1 9 . 1 1 7 7 GLN HA H 7 4.344 4.344 4.334 0.010 18292 5046 1 9 . 1 1 7 7 GLN C C 7 171.068 171.068 174.907 -3.839 18292 5047 1 9 . 1 1 7 7 GLN CA C 7 53.795 53.795 56.844 -3.049 18292 5048 1 9 . 1 1 7 7 GLN CB C 7 28.252 28.252 27.596 0.656 18292 5049 1 9 . 1 1 7 7 GLN H H 7 8.547 8.547 8.868 -0.321 18292 5050 1 9 . 1 1 8 8 CYS N N 8 118.669 118.669 116.507 2.162 18292 5051 1 9 . 1 1 8 8 CYS HA H 8 5.389 5.389 4.913 0.476 18292 5052 1 9 . 1 1 8 8 CYS C C 8 171.026 171.026 173.752 -2.726 18292 5053 1 9 . 1 1 8 8 CYS CA C 8 53.652 53.652 56.847 -3.195 18292 5054 1 9 . 1 1 8 8 CYS CB C 8 29.416 29.416 31.347 -1.931 18292 5055 1 9 . 1 1 8 8 CYS H H 8 8.558 8.558 7.412 1.146 18292 5056 1 9 . 1 1 9 9 PHE N N 9 117.117 117.117 118.925 -1.808 18292 5057 1 9 . 1 1 9 9 PHE HA H 9 5.369 5.369 5.387 -0.018 18292 5058 1 9 . 1 1 9 9 PHE C C 9 168.313 168.313 172.684 -4.371 18292 5059 1 9 . 1 1 9 9 PHE CA C 9 53.341 53.341 55.642 -2.301 18292 5060 1 9 . 1 1 9 9 PHE CB C 9 39.008 39.008 41.636 -2.628 18292 5061 1 9 . 1 1 9 9 PHE H H 9 9.533 9.533 8.792 0.741 18292 5062 1 9 . 1 1 10 10 GLN N N 10 118.344 118.344 116.105 2.239 18292 5063 1 9 . 1 1 10 10 GLN HA H 10 5.063 5.063 5.112 -0.049 18292 5064 1 9 . 1 1 10 10 GLN C C 10 173.280 173.280 174.155 -0.875 18292 5065 1 9 . 1 1 10 10 GLN CA C 10 50.242 50.242 53.729 -3.487 18292 5066 1 9 . 1 1 10 10 GLN CB C 10 30.263 30.263 32.772 -2.509 18292 5067 1 9 . 1 1 10 10 GLN H H 10 9.299 9.299 9.083 0.216 18292 5068 1 9 . 1 1 11 11 LEU N N 11 128.664 128.664 119.394 9.270 18292 5069 1 9 . 1 1 11 11 LEU HA H 11 5.474 5.474 5.313 0.161 18292 5070 1 9 . 1 1 11 11 LEU C C 11 173.987 173.987 176.839 -2.852 18292 5071 1 9 . 1 1 11 11 LEU CA C 11 50.153 50.153 53.038 -2.885 18292 5072 1 9 . 1 1 11 11 LEU CB C 11 41.779 41.779 46.073 -4.294 18292 5073 1 9 . 1 1 11 11 LEU H H 11 9.679 9.679 8.240 1.439 18292 5074 1 9 . 1 1 12 12 SER N N 12 115.661 115.661 115.087 0.574 18292 5075 1 9 . 1 1 12 12 SER HA H 12 4.877 4.877 4.876 0.001 18292 5076 1 9 . 1 1 12 12 SER C C 12 170.086 170.086 172.637 -2.551 18292 5077 1 9 . 1 1 12 12 SER CA C 12 54.698 54.698 58.421 -3.723 18292 5078 1 9 . 1 1 12 12 SER CB C 12 63.054 63.054 63.332 -0.278 18292 5079 1 9 . 1 1 12 12 SER H H 12 8.717 8.717 8.314 0.403 18292 5080 1 9 . 1 1 13 13 ASN N N 13 114.812 114.812 118.571 -3.759 18292 5081 1 9 . 1 1 13 13 ASN HA H 13 4.165 4.165 4.788 -0.623 18292 5082 1 9 . 1 1 13 13 ASN C C 13 171.867 171.867 176.236 -4.369 18292 5083 1 9 . 1 1 13 13 ASN CA C 13 51.269 51.269 53.899 -2.630 18292 5084 1 9 . 1 1 13 13 ASN CB C 13 34.988 34.988 40.266 -5.278 18292 5085 1 9 . 1 1 13 13 ASN H H 13 8.563 8.563 8.659 -0.096 18292 5086 1 9 . 1 1 14 14 MET N N 14 113.100 113.100 119.594 -6.494 18292 5087 1 9 . 1 1 14 14 MET HA H 14 4.258 4.258 3.992 0.266 18292 5088 1 9 . 1 1 14 14 MET C C 14 171.935 171.935 175.326 -3.391 18292 5089 1 9 . 1 1 14 14 MET CA C 14 53.020 53.020 55.197 -2.177 18292 5090 1 9 . 1 1 14 14 MET CB C 14 29.746 29.746 31.125 -1.379 18292 5091 1 9 . 1 1 14 14 MET H H 14 8.261 8.261 8.263 -0.002 18292 5092 1 9 . 1 1 15 15 PHE N N 15 108.769 108.769 114.232 -5.463 18292 5093 1 9 . 1 1 15 15 PHE HA H 15 4.485 4.485 4.446 0.039 18292 5094 1 9 . 1 1 15 15 PHE C C 15 170.024 170.024 173.347 -3.323 18292 5095 1 9 . 1 1 15 15 PHE CA C 15 53.080 53.080 57.482 -4.402 18292 5096 1 9 . 1 1 15 15 PHE CB C 15 36.300 36.300 41.864 -5.564 18292 5097 1 9 . 1 1 15 15 PHE H H 15 6.804 6.804 7.530 -0.726 18292 5098 1 9 . 1 1 16 16 ASN N N 16 117.922 117.922 118.015 -0.093 18292 5099 1 9 . 1 1 16 16 ASN HA H 16 4.932 4.932 5.165 -0.233 18292 5100 1 9 . 1 1 16 16 ASN CA C 16 47.510 47.510 52.136 -4.626 18292 5101 1 9 . 1 1 16 16 ASN CB C 16 36.512 36.512 39.546 -3.034 18292 5102 1 9 . 1 1 16 16 ASN H H 16 8.681 8.681 8.675 0.006 18292 5103 1 9 . 1 1 17 17 PRO HA H 17 4.102 4.102 4.634 -0.532 18292 5104 1 9 . 1 1 17 17 PRO C C 17 174.773 174.773 176.761 -1.988 18292 5105 1 9 . 1 1 17 17 PRO CA C 17 61.933 61.933 64.162 -2.229 18292 5106 1 9 . 1 1 17 17 PRO CB C 17 29.557 29.557 32.201 -2.644 18292 5107 1 9 . 1 1 18 18 GLN N N 18 116.462 116.462 117.239 -0.777 18292 5108 1 9 . 1 1 18 18 GLN HA H 18 4.146 4.146 4.455 -0.309 18292 5109 1 9 . 1 1 18 18 GLN C C 18 174.423 174.423 175.365 -0.942 18292 5110 1 9 . 1 1 18 18 GLN CA C 18 54.067 54.067 55.642 -1.575 18292 5111 1 9 . 1 1 18 18 GLN CB C 18 26.326 26.326 29.935 -3.609 18292 5112 1 9 . 1 1 18 18 GLN H H 18 7.934 7.934 8.310 -0.376 18292 5113 1 9 . 1 1 19 19 THR N N 19 112.362 112.362 114.793 -2.431 18292 5114 1 9 . 1 1 19 19 THR HA H 19 4.176 4.176 4.429 -0.253 18292 5115 1 9 . 1 1 19 19 THR C C 19 171.908 171.908 173.582 -1.674 18292 5116 1 9 . 1 1 19 19 THR CA C 19 59.509 59.509 61.736 -2.227 18292 5117 1 9 . 1 1 19 19 THR CB C 19 66.360 66.360 68.992 -2.632 18292 5118 1 9 . 1 1 19 19 THR H H 19 7.723 7.723 7.536 0.187 18292 5119 1 9 . 1 1 20 20 GLU N N 20 120.326 120.326 122.274 -1.948 18292 5120 1 9 . 1 1 20 20 GLU HA H 20 3.658 3.658 4.298 -0.640 18292 5121 1 9 . 1 1 20 20 GLU C C 20 173.311 173.311 175.812 -2.501 18292 5122 1 9 . 1 1 20 20 GLU CA C 20 53.164 53.164 56.201 -3.037 18292 5123 1 9 . 1 1 20 20 GLU CB C 20 25.837 25.837 30.568 -4.731 18292 5124 1 9 . 1 1 20 20 GLU H H 20 7.312 7.312 8.375 -1.063 18292 5125 1 9 . 1 1 21 21 GLU N N 21 120.796 120.796 120.036 0.760 18292 5126 1 9 . 1 1 21 21 GLU HA H 21 4.162 4.162 4.520 -0.358 18292 5127 1 9 . 1 1 21 21 GLU C C 21 173.747 173.747 175.399 -1.652 18292 5128 1 9 . 1 1 21 21 GLU CA C 21 53.873 53.873 55.340 -1.466 18292 5129 1 9 . 1 1 21 21 GLU CB C 21 28.445 28.445 31.955 -3.510 18292 5130 1 9 . 1 1 21 21 GLU H H 21 8.011 8.011 8.479 -0.468 18292 5131 1 9 . 1 1 22 22 GLU N N 22 121.370 121.370 119.455 1.915 18292 5132 1 9 . 1 1 22 22 GLU HA H 22 4.393 4.393 4.330 0.063 18292 5133 1 9 . 1 1 22 22 GLU C C 22 173.536 173.536 176.449 -2.913 18292 5134 1 9 . 1 1 22 22 GLU CA C 22 52.982 52.982 56.161 -3.179 18292 5135 1 9 . 1 1 22 22 GLU CB C 22 28.012 28.012 30.202 -2.190 18292 5136 1 9 . 1 1 22 22 GLU H H 22 8.039 8.039 8.509 -0.470 18292 5137 1 9 . 1 1 23 23 VAL N N 23 123.340 123.340 120.852 2.488 18292 5138 1 9 . 1 1 23 23 VAL HA H 23 3.901 3.901 3.930 -0.029 18292 5139 1 9 . 1 1 23 23 VAL C C 23 175.077 175.077 175.378 -0.301 18292 5140 1 9 . 1 1 23 23 VAL CA C 23 61.540 61.540 62.627 -1.087 18292 5141 1 9 . 1 1 23 23 VAL CB C 23 29.361 29.361 29.830 -0.469 18292 5142 1 9 . 1 1 23 23 VAL H H 23 8.447 8.447 8.198 0.249 18292 5143 1 9 . 1 1 24 24 GLY N N 24 114.476 114.476 116.119 -1.643 18292 5144 1 9 . 1 1 24 24 GLY C C 24 173.717 173.717 174.666 -0.949 18292 5145 1 9 . 1 1 24 24 GLY CA C 24 42.667 42.667 45.225 -2.558 18292 5146 1 9 . 1 1 24 24 GLY H H 24 9.087 9.087 7.747 1.340 18292 5147 1 9 . 1 1 25 25 TRP N N 25 121.382 121.382 120.912 0.470 18292 5148 1 9 . 1 1 25 25 TRP HA H 25 4.214 4.214 4.371 -0.157 18292 5149 1 9 . 1 1 25 25 TRP C C 25 174.056 174.056 175.687 -1.631 18292 5150 1 9 . 1 1 25 25 TRP CA C 25 56.093 56.093 57.629 -1.536 18292 5151 1 9 . 1 1 25 25 TRP CB C 25 25.016 25.016 28.435 -3.419 18292 5152 1 9 . 1 1 26 26 ASP N N 26 118.789 118.789 120.727 -1.938 18292 5153 1 9 . 1 1 26 26 ASP HA H 26 3.261 3.261 4.703 -1.442 18292 5154 1 9 . 1 1 26 26 ASP C C 26 174.709 174.709 178.338 -3.629 18292 5155 1 9 . 1 1 26 26 ASP CA C 26 52.705 52.705 56.934 -4.229 18292 5156 1 9 . 1 1 26 26 ASP CB C 26 34.503 34.503 39.923 -5.420 18292 5157 1 9 . 1 1 26 26 ASP H H 26 7.939 7.939 8.206 -0.267 18292 5158 1 9 . 1 1 27 27 THR N N 27 118.934 118.934 115.205 3.729 18292 5159 1 9 . 1 1 27 27 THR HA H 27 3.552 3.552 4.173 -0.621 18292 5160 1 9 . 1 1 27 27 THR C C 27 172.390 172.390 174.839 -2.449 18292 5161 1 9 . 1 1 27 27 THR CA C 27 63.307 63.307 65.782 -2.475 18292 5162 1 9 . 1 1 27 27 THR CB C 27 65.331 65.331 68.605 -3.274 18292 5163 1 9 . 1 1 27 27 THR H H 27 7.103 7.103 8.170 -1.067 18292 5164 1 9 . 1 1 28 28 GLU N N 28 120.484 120.484 120.074 0.410 18292 5165 1 9 . 1 1 28 28 GLU HA H 28 3.978 3.978 4.499 -0.521 18292 5166 1 9 . 1 1 28 28 GLU C C 28 175.447 175.447 178.754 -3.307 18292 5167 1 9 . 1 1 28 28 GLU CA C 28 56.760 56.760 57.361 -0.601 18292 5168 1 9 . 1 1 28 28 GLU CB C 28 26.418 26.418 30.292 -3.874 18292 5169 1 9 . 1 1 28 28 GLU H H 28 7.473 7.473 7.564 -0.091 18292 5170 1 9 . 1 1 29 29 ILE N N 29 116.961 116.961 121.148 -4.187 18292 5171 1 9 . 1 1 29 29 ILE HA H 29 3.773 3.773 3.782 -0.009 18292 5172 1 9 . 1 1 29 29 ILE C C 29 174.605 174.605 178.088 -3.483 18292 5173 1 9 . 1 1 29 29 ILE CA C 29 61.243 61.243 65.918 -4.675 18292 5174 1 9 . 1 1 29 29 ILE CB C 29 35.267 35.267 38.182 -2.916 18292 5175 1 9 . 1 1 29 29 ILE H H 29 7.113 7.113 7.688 -0.575 18292 5176 1 9 . 1 1 30 30 LYS N N 30 118.457 118.457 119.274 -0.817 18292 5177 1 9 . 1 1 30 30 LYS HA H 30 3.430 3.430 4.130 -0.700 18292 5178 1 9 . 1 1 30 30 LYS C C 30 174.886 174.886 178.210 -3.324 18292 5179 1 9 . 1 1 30 30 LYS CA C 30 57.872 57.872 59.349 -1.477 18292 5180 1 9 . 1 1 30 30 LYS CB C 30 29.680 29.680 32.426 -2.746 18292 5181 1 9 . 1 1 30 30 LYS H H 30 7.480 7.480 8.197 -0.717 18292 5182 1 9 . 1 1 31 31 ASP N N 31 118.630 118.630 120.258 -1.628 18292 5183 1 9 . 1 1 31 31 ASP HA H 31 4.233 4.233 4.384 -0.151 18292 5184 1 9 . 1 1 31 31 ASP C C 31 175.558 175.558 177.553 -1.995 18292 5185 1 9 . 1 1 31 31 ASP CA C 31 55.137 55.137 57.681 -2.545 18292 5186 1 9 . 1 1 31 31 ASP CB C 31 36.829 36.829 40.569 -3.740 18292 5187 1 9 . 1 1 31 31 ASP H H 31 8.334 8.334 7.762 0.572 18292 5188 1 9 . 1 1 32 32 ASP N N 32 120.576 120.576 120.122 0.454 18292 5189 1 9 . 1 1 32 32 ASP HA H 32 4.277 4.277 4.454 -0.177 18292 5190 1 9 . 1 1 32 32 ASP C C 32 176.966 176.966 178.655 -1.689 18292 5191 1 9 . 1 1 32 32 ASP CA C 32 54.829 54.829 57.850 -3.021 18292 5192 1 9 . 1 1 32 32 ASP CB C 32 37.331 37.331 41.088 -3.757 18292 5193 1 9 . 1 1 32 32 ASP H H 32 8.189 8.189 7.716 0.473 18292 5194 1 9 . 1 1 33 33 VAL N N 33 121.083 121.083 117.618 3.465 18292 5195 1 9 . 1 1 33 33 VAL HA H 33 3.444 3.444 3.934 -0.490 18292 5196 1 9 . 1 1 33 33 VAL C C 33 175.529 175.529 177.717 -2.188 18292 5197 1 9 . 1 1 33 33 VAL CA C 33 64.511 64.511 65.520 -1.009 18292 5198 1 9 . 1 1 33 33 VAL CB C 33 28.920 28.920 31.713 -2.793 18292 5199 1 9 . 1 1 33 33 VAL H H 33 8.069 8.069 7.518 0.551 18292 5200 1 9 . 1 1 34 34 ILE N N 34 122.145 122.145 120.462 1.683 18292 5201 1 9 . 1 1 34 34 ILE HA H 34 3.272 3.272 4.105 -0.833 18292 5202 1 9 . 1 1 34 34 ILE C C 34 174.723 174.723 177.678 -2.955 18292 5203 1 9 . 1 1 34 34 ILE CA C 34 63.723 63.723 63.200 0.523 18292 5204 1 9 . 1 1 34 34 ILE CB C 34 35.949 35.949 38.564 -2.615 18292 5205 1 9 . 1 1 34 34 ILE H H 34 8.887 8.887 7.331 1.556 18292 5206 1 9 . 1 1 35 35 GLU N N 35 117.927 117.927 120.763 -2.836 18292 5207 1 9 . 1 1 35 35 GLU HA H 35 3.830 3.830 4.021 -0.191 18292 5208 1 9 . 1 1 35 35 GLU C C 35 176.747 176.747 178.616 -1.869 18292 5209 1 9 . 1 1 35 35 GLU CA C 35 57.183 57.183 59.762 -2.579 18292 5210 1 9 . 1 1 35 35 GLU CB C 35 26.969 26.969 29.723 -2.754 18292 5211 1 9 . 1 1 35 35 GLU H H 35 8.565 8.565 8.385 0.180 18292 5212 1 9 . 1 1 36 36 GLU N N 36 117.299 117.299 118.237 -0.938 18292 5213 1 9 . 1 1 36 36 GLU HA H 36 4.012 4.012 4.288 -0.276 18292 5214 1 9 . 1 1 36 36 GLU C C 36 176.604 176.604 179.129 -2.525 18292 5215 1 9 . 1 1 36 36 GLU CA C 36 56.357 56.357 59.207 -2.850 18292 5216 1 9 . 1 1 36 36 GLU CB C 36 26.612 26.612 29.253 -2.641 18292 5217 1 9 . 1 1 36 36 GLU H H 36 7.523 7.523 8.159 -0.636 18292 5218 1 9 . 1 1 37 37 CYS N N 37 116.308 116.308 118.509 -2.201 18292 5219 1 9 . 1 1 37 37 CYS HA H 37 4.141 4.141 4.323 -0.182 18292 5220 1 9 . 1 1 37 37 CYS C C 37 175.888 175.888 176.861 -0.973 18292 5221 1 9 . 1 1 37 37 CYS CA C 37 61.915 61.915 62.013 -0.098 18292 5222 1 9 . 1 1 37 37 CYS CB C 37 24.513 24.513 27.770 -3.257 18292 5223 1 9 . 1 1 37 37 CYS H H 37 8.754 8.754 7.677 1.077 18292 5224 1 9 . 1 1 38 38 ASN N N 38 121.598 121.598 118.860 2.738 18292 5225 1 9 . 1 1 38 38 ASN HA H 38 4.452 4.452 4.500 -0.048 18292 5226 1 9 . 1 1 38 38 ASN C C 38 174.340 174.340 176.626 -2.286 18292 5227 1 9 . 1 1 38 38 ASN CA C 38 52.249 52.249 56.195 -3.946 18292 5228 1 9 . 1 1 38 38 ASN CB C 38 34.488 34.488 38.674 -4.186 18292 5229 1 9 . 1 1 38 38 ASN H H 38 8.800 8.800 8.280 0.520 18292 5230 1 9 . 1 1 39 39 LYS N N 39 119.297 119.297 115.311 3.986 18292 5231 1 9 . 1 1 39 39 LYS HA H 39 4.002 4.002 4.245 -0.243 18292 5232 1 9 . 1 1 39 39 LYS C C 39 174.388 174.388 177.127 -2.739 18292 5233 1 9 . 1 1 39 39 LYS CA C 39 55.239 55.239 57.447 -2.208 18292 5234 1 9 . 1 1 39 39 LYS CB C 39 29.477 29.477 32.548 -3.071 18292 5235 1 9 . 1 1 39 39 LYS H H 39 7.427 7.427 7.849 -0.422 18292 5236 1 9 . 1 1 40 40 HIS N N 40 114.421 114.421 116.708 -2.287 18292 5237 1 9 . 1 1 40 40 HIS HA H 40 4.896 4.896 4.774 0.122 18292 5238 1 9 . 1 1 40 40 HIS C C 40 171.895 171.895 176.030 -4.135 18292 5239 1 9 . 1 1 40 40 HIS CA C 40 51.758 51.758 57.062 -5.304 18292 5240 1 9 . 1 1 40 40 HIS CB C 40 28.775 28.775 32.495 -3.720 18292 5241 1 9 . 1 1 40 40 HIS H H 40 7.453 7.453 7.648 -0.195 18292 5242 1 9 . 1 1 41 41 GLY N N 41 106.587 106.587 105.683 0.904 18292 5243 1 9 . 1 1 41 41 GLY C C 41 171.376 171.376 173.858 -2.482 18292 5244 1 9 . 1 1 41 41 GLY CA C 41 42.388 42.388 45.244 -2.856 18292 5245 1 9 . 1 1 41 41 GLY H H 41 7.599 7.599 8.445 -0.846 18292 5246 1 9 . 1 1 42 42 GLY N N 42 107.066 107.066 108.866 -1.800 18292 5247 1 9 . 1 1 42 42 GLY C C 42 169.120 169.120 172.455 -3.335 18292 5248 1 9 . 1 1 42 42 GLY CA C 42 41.518 41.518 44.842 -3.324 18292 5249 1 9 . 1 1 42 42 GLY H H 42 7.942 7.942 8.235 -0.293 18292 5250 1 9 . 1 1 43 43 VAL N N 43 114.640 114.640 120.741 -6.101 18292 5251 1 9 . 1 1 43 43 VAL HA H 43 4.527 4.527 4.488 0.039 18292 5252 1 9 . 1 1 43 43 VAL C C 43 169.861 169.861 174.970 -5.109 18292 5253 1 9 . 1 1 43 43 VAL CA C 43 58.404 58.404 59.991 -1.587 18292 5254 1 9 . 1 1 43 43 VAL CB C 43 31.692 31.692 35.326 -3.634 18292 5255 1 9 . 1 1 43 43 VAL H H 43 8.679 8.679 8.331 0.348 18292 5256 1 9 . 1 1 44 44 ILE N N 44 115.792 115.792 121.726 -5.934 18292 5257 1 9 . 1 1 44 44 ILE HA H 44 4.918 4.918 4.752 0.166 18292 5258 1 9 . 1 1 44 44 ILE C C 44 172.246 172.246 175.011 -2.765 18292 5259 1 9 . 1 1 44 44 ILE CA C 44 57.770 57.770 60.840 -3.070 18292 5260 1 9 . 1 1 44 44 ILE CB C 44 37.197 37.197 39.828 -2.631 18292 5261 1 9 . 1 1 44 44 ILE H H 44 8.587 8.587 8.608 -0.021 18292 5262 1 9 . 1 1 45 45 HIS N N 45 122.684 122.684 117.844 4.840 18292 5263 1 9 . 1 1 45 45 HIS HA H 45 4.426 4.426 4.821 -0.395 18292 5264 1 9 . 1 1 45 45 HIS C C 45 168.452 168.452 172.674 -4.222 18292 5265 1 9 . 1 1 45 45 HIS CA C 45 55.548 55.548 56.141 -0.593 18292 5266 1 9 . 1 1 45 45 HIS CB C 45 31.632 31.632 34.523 -2.891 18292 5267 1 9 . 1 1 45 45 HIS H H 45 7.791 7.791 7.762 0.029 18292 5268 1 9 . 1 1 46 46 ILE N N 46 123.917 123.917 123.262 0.655 18292 5269 1 9 . 1 1 46 46 ILE HA H 46 5.120 5.120 5.093 0.027 18292 5270 1 9 . 1 1 46 46 ILE C C 46 170.171 170.171 173.581 -3.410 18292 5271 1 9 . 1 1 46 46 ILE CA C 46 56.063 56.063 59.818 -3.755 18292 5272 1 9 . 1 1 46 46 ILE CB C 46 39.753 39.753 42.572 -2.820 18292 5273 1 9 . 1 1 46 46 ILE H H 46 7.391 7.391 8.289 -0.898 18292 5274 1 9 . 1 1 47 47 TYR N N 47 125.750 125.750 128.219 -2.469 18292 5275 1 9 . 1 1 47 47 TYR HA H 47 4.370 4.370 4.843 -0.473 18292 5276 1 9 . 1 1 47 47 TYR C C 47 171.029 171.029 173.054 -2.025 18292 5277 1 9 . 1 1 47 47 TYR CA C 47 54.800 54.800 57.236 -2.436 18292 5278 1 9 . 1 1 47 47 TYR CB C 47 39.851 39.851 41.109 -1.258 18292 5279 1 9 . 1 1 47 47 TYR H H 47 9.055 9.055 8.733 0.322 18292 5280 1 9 . 1 1 48 48 VAL N N 48 129.720 129.720 128.075 1.645 18292 5281 1 9 . 1 1 48 48 VAL HA H 48 3.869 3.869 4.125 -0.256 18292 5282 1 9 . 1 1 48 48 VAL C C 48 170.949 170.949 174.650 -3.701 18292 5283 1 9 . 1 1 48 48 VAL CA C 48 59.328 59.328 61.963 -2.635 18292 5284 1 9 . 1 1 48 48 VAL CB C 48 29.022 29.022 33.136 -4.114 18292 5285 1 9 . 1 1 48 48 VAL H H 48 8.290 8.290 8.668 -0.378 18292 5286 1 9 . 1 1 49 49 ASP N N 49 125.287 125.287 127.075 -1.788 18292 5287 1 9 . 1 1 49 49 ASP HA H 49 4.703 4.703 4.854 -0.151 18292 5288 1 9 . 1 1 49 49 ASP C C 49 173.851 173.851 176.290 -2.439 18292 5289 1 9 . 1 1 49 49 ASP CA C 49 50.349 50.349 51.705 -1.356 18292 5290 1 9 . 1 1 49 49 ASP CB C 49 38.139 38.139 42.105 -3.966 18292 5291 1 9 . 1 1 49 49 ASP H H 49 8.274 8.274 7.727 0.547 18292 5292 1 9 . 1 1 50 50 LYS N N 50 125.099 125.099 126.646 -1.547 18292 5293 1 9 . 1 1 50 50 LYS HA H 50 4.096 4.096 3.209 0.887 18292 5294 1 9 . 1 1 50 50 LYS C C 50 173.120 173.120 176.908 -3.788 18292 5295 1 9 . 1 1 50 50 LYS CA C 50 56.284 56.284 58.956 -2.672 18292 5296 1 9 . 1 1 50 50 LYS CB C 50 29.763 29.763 31.923 -2.160 18292 5297 1 9 . 1 1 50 50 LYS H H 50 8.090 8.090 8.664 -0.574 18292 5298 1 9 . 1 1 51 51 ASN N N 51 114.422 114.422 116.444 -2.022 18292 5299 1 9 . 1 1 51 51 ASN HA H 51 4.931 4.931 4.701 0.230 18292 5300 1 9 . 1 1 51 51 ASN C C 51 172.685 172.685 175.191 -2.506 18292 5301 1 9 . 1 1 51 51 ASN CA C 51 50.744 50.744 53.566 -2.822 18292 5302 1 9 . 1 1 51 51 ASN CB C 51 37.036 37.036 39.563 -2.527 18292 5303 1 9 . 1 1 51 51 ASN H H 51 8.272 8.272 8.277 -0.005 18292 5304 1 9 . 1 1 52 52 SER N N 52 115.013 115.013 115.693 -0.680 18292 5305 1 9 . 1 1 52 52 SER HA H 52 4.410 4.410 4.307 0.103 18292 5306 1 9 . 1 1 52 52 SER C C 52 172.628 172.628 174.806 -2.178 18292 5307 1 9 . 1 1 52 52 SER CA C 52 55.035 55.035 58.975 -3.940 18292 5308 1 9 . 1 1 52 52 SER CB C 52 61.604 61.604 63.979 -2.375 18292 5309 1 9 . 1 1 52 52 SER H H 52 7.920 7.920 7.158 0.762 18292 5310 1 9 . 1 1 53 53 ALA N N 53 129.163 129.163 126.001 3.162 18292 5311 1 9 . 1 1 53 53 ALA HA H 53 4.088 4.088 4.212 -0.124 18292 5312 1 9 . 1 1 53 53 ALA C C 53 175.951 175.951 177.826 -1.875 18292 5313 1 9 . 1 1 53 53 ALA CA C 53 51.409 51.409 53.815 -2.406 18292 5314 1 9 . 1 1 53 53 ALA CB C 53 15.878 15.878 19.331 -3.453 18292 5315 1 9 . 1 1 53 53 ALA H H 53 8.837 8.837 8.295 0.542 18292 5316 1 9 . 1 1 54 54 GLN N N 54 113.081 113.081 117.581 -4.500 18292 5317 1 9 . 1 1 54 54 GLN HA H 54 4.202 4.202 4.433 -0.231 18292 5318 1 9 . 1 1 54 54 GLN C C 54 173.388 173.388 175.140 -1.752 18292 5319 1 9 . 1 1 54 54 GLN CA C 54 52.993 52.993 54.267 -1.274 18292 5320 1 9 . 1 1 54 54 GLN CB C 54 26.360 26.360 29.771 -3.411 18292 5321 1 9 . 1 1 54 54 GLN H H 54 7.836 7.836 7.894 -0.058 18292 5322 1 9 . 1 1 55 55 GLY N N 55 108.967 108.967 107.827 1.140 18292 5323 1 9 . 1 1 55 55 GLY CA C 55 45.087 45.087 45.452 -0.364 18292 5324 1 9 . 1 1 55 55 GLY H H 55 7.191 7.191 8.582 -1.391 18292 5325 1 9 . 1 1 56 56 ASN N N 56 114.505 114.505 118.948 -4.443 18292 5326 1 9 . 1 1 56 56 ASN HA H 56 5.520 5.520 5.215 0.305 18292 5327 1 9 . 1 1 56 56 ASN C C 56 172.166 172.166 174.222 -2.056 18292 5328 1 9 . 1 1 56 56 ASN CA C 56 50.462 50.462 53.414 -2.952 18292 5329 1 9 . 1 1 56 56 ASN CB C 56 38.400 38.400 40.521 -2.121 18292 5330 1 9 . 1 1 56 56 ASN H H 56 7.614 7.614 7.658 -0.044 18292 5331 1 9 . 1 1 57 57 VAL N N 57 119.859 119.859 119.410 0.449 18292 5332 1 9 . 1 1 57 57 VAL HA H 57 4.692 4.692 4.249 0.443 18292 5333 1 9 . 1 1 57 57 VAL C C 57 170.667 170.667 174.252 -3.585 18292 5334 1 9 . 1 1 57 57 VAL CA C 57 58.163 58.163 61.097 -2.934 18292 5335 1 9 . 1 1 57 57 VAL CB C 57 33.663 33.663 36.390 -2.727 18292 5336 1 9 . 1 1 57 57 VAL H H 57 8.354 8.354 7.770 0.584 18292 5337 1 9 . 1 1 58 58 TYR N N 58 128.478 128.478 123.825 4.653 18292 5338 1 9 . 1 1 58 58 TYR HA H 58 4.937 4.937 4.688 0.249 18292 5339 1 9 . 1 1 58 58 TYR C C 58 170.605 170.605 174.394 -3.789 18292 5340 1 9 . 1 1 58 58 TYR CA C 58 55.354 55.354 57.351 -1.997 18292 5341 1 9 . 1 1 58 58 TYR CB C 58 37.775 37.775 40.265 -2.490 18292 5342 1 9 . 1 1 58 58 TYR H H 58 9.275 9.275 8.993 0.282 18292 5343 1 9 . 1 1 59 59 VAL N N 59 123.117 123.117 122.896 0.221 18292 5344 1 9 . 1 1 59 59 VAL HA H 59 4.462 4.462 4.618 -0.156 18292 5345 1 9 . 1 1 59 59 VAL C C 59 170.875 170.875 174.233 -3.358 18292 5346 1 9 . 1 1 59 59 VAL CA C 59 58.527 58.527 60.360 -1.833 18292 5347 1 9 . 1 1 59 59 VAL CB C 59 32.611 32.611 34.551 -1.940 18292 5348 1 9 . 1 1 59 59 VAL H H 59 8.860 8.860 8.830 0.030 18292 5349 1 9 . 1 1 60 60 LYS N N 60 123.266 123.266 125.196 -1.930 18292 5350 1 9 . 1 1 60 60 LYS HA H 60 4.745 4.745 4.774 -0.029 18292 5351 1 9 . 1 1 60 60 LYS C C 60 173.399 173.399 174.608 -1.209 18292 5352 1 9 . 1 1 60 60 LYS CA C 60 52.207 52.207 55.103 -2.896 18292 5353 1 9 . 1 1 60 60 LYS CB C 60 34.244 34.244 35.976 -1.732 18292 5354 1 9 . 1 1 60 60 LYS H H 60 8.668 8.668 8.636 0.032 18292 5355 1 9 . 1 1 61 61 CYS N N 61 125.267 125.267 126.286 -1.019 18292 5356 1 9 . 1 1 61 61 CYS HA H 61 4.740 4.740 4.885 -0.145 18292 5357 1 9 . 1 1 61 61 CYS CA C 61 56.393 56.393 56.371 0.022 18292 5358 1 9 . 1 1 61 61 CYS CB C 61 27.416 27.416 28.358 -0.942 18292 5359 1 9 . 1 1 61 61 CYS H H 61 9.207 9.207 9.024 0.183 18292 5360 1 9 . 1 1 62 62 PRO HA H 62 4.266 4.266 4.452 -0.186 18292 5361 1 9 . 1 1 62 62 PRO C C 62 171.443 171.443 176.127 -4.684 18292 5362 1 9 . 1 1 62 62 PRO CA C 62 61.167 61.167 64.318 -3.151 18292 5363 1 9 . 1 1 62 62 PRO CB C 62 29.450 29.450 32.042 -2.592 18292 5364 1 9 . 1 1 63 63 SER N N 63 108.558 108.558 112.077 -3.519 18292 5365 1 9 . 1 1 63 63 SER HA H 63 4.606 4.606 4.640 -0.034 18292 5366 1 9 . 1 1 63 63 SER C C 63 171.147 171.147 174.520 -3.373 18292 5367 1 9 . 1 1 63 63 SER CA C 63 53.259 53.259 56.783 -3.524 18292 5368 1 9 . 1 1 63 63 SER CB C 63 63.378 63.378 66.084 -2.706 18292 5369 1 9 . 1 1 63 63 SER H H 63 6.990 6.990 7.589 -0.599 18292 5370 1 9 . 1 1 64 64 ILE N N 64 122.885 122.885 123.490 -0.605 18292 5371 1 9 . 1 1 64 64 ILE HA H 64 3.462 3.462 3.804 -0.342 18292 5372 1 9 . 1 1 64 64 ILE C C 64 174.204 174.204 177.621 -3.417 18292 5373 1 9 . 1 1 64 64 ILE CA C 64 62.955 62.955 65.161 -2.206 18292 5374 1 9 . 1 1 64 64 ILE CB C 64 35.297 35.297 37.647 -2.350 18292 5375 1 9 . 1 1 64 64 ILE H H 64 8.786 8.786 8.775 0.011 18292 5376 1 9 . 1 1 65 65 ALA N N 65 120.653 120.653 122.862 -2.209 18292 5377 1 9 . 1 1 65 65 ALA HA H 65 3.890 3.890 4.015 -0.125 18292 5378 1 9 . 1 1 65 65 ALA C C 65 177.926 177.926 179.379 -1.453 18292 5379 1 9 . 1 1 65 65 ALA CA C 65 52.772 52.772 55.386 -2.614 18292 5380 1 9 . 1 1 65 65 ALA CB C 65 15.552 15.552 17.759 -2.207 18292 5381 1 9 . 1 1 65 65 ALA H H 65 8.287 8.287 8.272 0.015 18292 5382 1 9 . 1 1 66 66 ALA N N 66 119.802 119.802 120.884 -1.082 18292 5383 1 9 . 1 1 66 66 ALA HA H 66 4.344 4.344 4.317 0.027 18292 5384 1 9 . 1 1 66 66 ALA C C 66 176.063 176.063 179.668 -3.605 18292 5385 1 9 . 1 1 66 66 ALA CA C 66 52.108 52.108 54.938 -2.830 18292 5386 1 9 . 1 1 66 66 ALA CB C 66 16.106 16.106 18.194 -2.088 18292 5387 1 9 . 1 1 66 66 ALA H H 66 7.952 7.952 8.311 -0.359 18292 5388 1 9 . 1 1 67 67 ALA N N 67 121.626 121.626 121.964 -0.338 18292 5389 1 9 . 1 1 67 67 ALA HA H 67 4.398 4.398 4.102 0.296 18292 5390 1 9 . 1 1 67 67 ALA C C 67 175.824 175.824 179.823 -3.999 18292 5391 1 9 . 1 1 67 67 ALA CA C 67 53.135 53.135 54.820 -1.685 18292 5392 1 9 . 1 1 67 67 ALA CB C 67 17.020 17.020 18.506 -1.486 18292 5393 1 9 . 1 1 67 67 ALA H H 67 7.332 7.332 7.326 0.006 18292 5394 1 9 . 1 1 68 68 ILE N N 68 117.793 117.793 119.889 -2.096 18292 5395 1 9 . 1 1 68 68 ILE HA H 68 4.185 4.185 3.807 0.378 18292 5396 1 9 . 1 1 68 68 ILE C C 68 176.163 176.163 178.422 -2.259 18292 5397 1 9 . 1 1 68 68 ILE CA C 68 61.323 61.323 65.067 -3.744 18292 5398 1 9 . 1 1 68 68 ILE CB C 68 36.657 36.657 37.819 -1.162 18292 5399 1 9 . 1 1 68 68 ILE H H 68 8.655 8.655 8.346 0.309 18292 5400 1 9 . 1 1 69 69 ALA N N 69 119.051 119.051 121.413 -2.362 18292 5401 1 9 . 1 1 69 69 ALA HA H 69 3.836 3.836 3.919 -0.083 18292 5402 1 9 . 1 1 69 69 ALA C C 69 177.325 177.325 179.206 -1.881 18292 5403 1 9 . 1 1 69 69 ALA CA C 69 51.781 51.781 55.211 -3.430 18292 5404 1 9 . 1 1 69 69 ALA CB C 69 15.767 15.767 18.054 -2.287 18292 5405 1 9 . 1 1 69 69 ALA H H 69 7.377 7.377 8.022 -0.645 18292 5406 1 9 . 1 1 70 70 ALA N N 70 121.378 121.378 121.451 -0.073 18292 5407 1 9 . 1 1 70 70 ALA HA H 70 3.544 3.544 3.738 -0.194 18292 5408 1 9 . 1 1 70 70 ALA C C 70 176.012 176.012 179.228 -3.216 18292 5409 1 9 . 1 1 70 70 ALA CA C 70 52.966 52.966 54.463 -1.497 18292 5410 1 9 . 1 1 70 70 ALA CB C 70 16.740 16.740 18.286 -1.546 18292 5411 1 9 . 1 1 70 70 ALA H H 70 7.798 7.798 7.995 -0.197 18292 5412 1 9 . 1 1 71 71 VAL N N 71 119.944 119.944 118.142 1.802 18292 5413 1 9 . 1 1 71 71 VAL HA H 71 2.524 2.524 3.062 -0.538 18292 5414 1 9 . 1 1 71 71 VAL C C 71 175.408 175.408 178.012 -2.604 18292 5415 1 9 . 1 1 71 71 VAL CA C 71 64.993 64.993 66.921 -1.928 18292 5416 1 9 . 1 1 71 71 VAL CB C 71 28.184 28.184 30.777 -2.593 18292 5417 1 9 . 1 1 71 71 VAL H H 71 8.662 8.662 7.912 0.750 18292 5418 1 9 . 1 1 72 72 ASN N N 72 114.981 114.981 117.020 -2.039 18292 5419 1 9 . 1 1 72 72 ASN HA H 72 4.244 4.244 4.317 -0.073 18292 5420 1 9 . 1 1 72 72 ASN C C 72 174.490 174.490 176.043 -1.553 18292 5421 1 9 . 1 1 72 72 ASN CA C 72 52.776 52.776 56.160 -3.384 18292 5422 1 9 . 1 1 72 72 ASN CB C 72 35.394 35.394 38.334 -2.939 18292 5423 1 9 . 1 1 72 72 ASN H H 72 8.061 8.061 7.924 0.137 18292 5424 1 9 . 1 1 73 73 ALA N N 73 120.308 120.308 121.465 -1.157 18292 5425 1 9 . 1 1 73 73 ALA HA H 73 4.162 4.162 4.065 0.097 18292 5426 1 9 . 1 1 73 73 ALA C C 73 176.245 176.245 178.764 -2.519 18292 5427 1 9 . 1 1 73 73 ALA CA C 73 51.058 51.058 54.117 -3.059 18292 5428 1 9 . 1 1 73 73 ALA CB C 73 17.457 17.457 18.725 -1.268 18292 5429 1 9 . 1 1 73 73 ALA H H 73 7.230 7.230 7.106 0.124 18292 5430 1 9 . 1 1 74 74 LEU N N 74 118.156 118.156 116.831 1.325 18292 5431 1 9 . 1 1 74 74 LEU HA H 74 4.021 4.021 4.089 -0.068 18292 5432 1 9 . 1 1 74 74 LEU C C 74 173.863 173.863 177.543 -3.680 18292 5433 1 9 . 1 1 74 74 LEU CA C 74 53.853 53.853 56.830 -2.977 18292 5434 1 9 . 1 1 74 74 LEU CB C 74 41.552 41.552 42.204 -0.652 18292 5435 1 9 . 1 1 74 74 LEU H H 74 7.856 7.856 7.653 0.203 18292 5436 1 9 . 1 1 75 75 HIS N N 75 117.126 117.126 118.310 -1.184 18292 5437 1 9 . 1 1 75 75 HIS HA H 75 3.830 3.830 4.298 -0.468 18292 5438 1 9 . 1 1 75 75 HIS C C 75 174.851 174.851 175.456 -0.605 18292 5439 1 9 . 1 1 75 75 HIS CA C 75 56.621 56.621 57.260 -0.639 18292 5440 1 9 . 1 1 75 75 HIS CB C 75 28.299 28.299 28.822 -0.523 18292 5441 1 9 . 1 1 75 75 HIS H H 75 8.434 8.434 7.903 0.531 18292 5442 1 9 . 1 1 76 76 GLY N N 76 116.761 116.761 115.749 1.012 18292 5443 1 9 . 1 1 76 76 GLY CA C 76 42.221 42.221 44.845 -2.624 18292 5444 1 9 . 1 1 76 76 GLY H H 76 8.418 8.418 8.274 0.144 18292 5445 1 9 . 1 1 77 77 ARG N N 77 120.430 120.430 119.010 1.420 18292 5446 1 9 . 1 1 77 77 ARG HA H 77 4.248 4.248 4.604 -0.356 18292 5447 1 9 . 1 1 77 77 ARG C C 77 173.536 173.536 174.021 -0.485 18292 5448 1 9 . 1 1 77 77 ARG CA C 77 53.029 53.029 53.923 -0.894 18292 5449 1 9 . 1 1 77 77 ARG CB C 77 29.058 29.058 33.905 -4.847 18292 5450 1 9 . 1 1 77 77 ARG H H 77 7.385 7.385 7.463 -0.078 18292 5451 1 9 . 1 1 78 78 TRP N N 78 122.989 122.989 122.728 0.261 18292 5452 1 9 . 1 1 78 78 TRP HA H 78 4.941 4.941 5.086 -0.145 18292 5453 1 9 . 1 1 78 78 TRP C C 78 173.888 173.888 176.341 -2.453 18292 5454 1 9 . 1 1 78 78 TRP CA C 78 54.234 54.234 56.630 -2.396 18292 5455 1 9 . 1 1 78 78 TRP CB C 78 26.923 26.923 29.948 -3.025 18292 5456 1 9 . 1 1 78 78 TRP H H 78 8.463 8.463 8.610 -0.147 18292 5457 1 9 . 1 1 79 79 PHE N N 79 126.899 126.899 125.758 1.141 18292 5458 1 9 . 1 1 79 79 PHE HA H 79 4.637 4.637 4.353 0.284 18292 5459 1 9 . 1 1 79 79 PHE C C 79 171.696 171.696 176.958 -5.262 18292 5460 1 9 . 1 1 79 79 PHE CA C 79 54.624 54.624 58.753 -4.129 18292 5461 1 9 . 1 1 79 79 PHE CB C 79 39.577 39.577 40.783 -1.206 18292 5462 1 9 . 1 1 79 79 PHE H H 79 9.500 9.500 8.575 0.925 18292 5463 1 9 . 1 1 80 80 ALA N N 80 130.285 130.285 122.147 8.138 18292 5464 1 9 . 1 1 80 80 ALA HA H 80 3.705 3.705 4.204 -0.499 18292 5465 1 9 . 1 1 80 80 ALA C C 80 174.560 174.560 177.257 -2.697 18292 5466 1 9 . 1 1 80 80 ALA CA C 80 49.993 49.993 53.689 -3.696 18292 5467 1 9 . 1 1 80 80 ALA CB C 80 14.479 14.479 18.362 -3.883 18292 5468 1 9 . 1 1 80 80 ALA H H 80 8.840 8.840 8.419 0.421 18292 5469 1 9 . 1 1 81 81 GLY N N 81 102.771 102.771 104.658 -1.887 18292 5470 1 9 . 1 1 81 81 GLY C C 81 171.087 171.087 174.066 -2.979 18292 5471 1 9 . 1 1 81 81 GLY CA C 81 42.891 42.891 45.294 -2.403 18292 5472 1 9 . 1 1 81 81 GLY H H 81 8.268 8.268 8.449 -0.181 18292 5473 1 9 . 1 1 82 82 LYS N N 82 120.307 120.307 118.176 2.131 18292 5474 1 9 . 1 1 82 82 LYS HA H 82 4.469 4.469 4.691 -0.222 18292 5475 1 9 . 1 1 82 82 LYS C C 82 170.688 170.688 174.184 -3.496 18292 5476 1 9 . 1 1 82 82 LYS CA C 82 52.029 52.029 54.657 -2.628 18292 5477 1 9 . 1 1 82 82 LYS CB C 82 32.776 32.776 35.213 -2.437 18292 5478 1 9 . 1 1 82 82 LYS H H 82 7.791 7.791 8.057 -0.266 18292 5479 1 9 . 1 1 83 83 MET N N 83 121.212 121.212 123.459 -2.247 18292 5480 1 9 . 1 1 83 83 MET HA H 83 3.871 3.871 3.866 0.005 18292 5481 1 9 . 1 1 83 83 MET C C 83 173.474 173.474 174.462 -0.988 18292 5482 1 9 . 1 1 83 83 MET CA C 83 51.968 51.968 54.554 -2.586 18292 5483 1 9 . 1 1 83 83 MET CB C 83 30.275 30.275 32.430 -2.155 18292 5484 1 9 . 1 1 83 83 MET H H 83 7.953 7.953 8.533 -0.580 18292 5485 1 9 . 1 1 84 84 ILE N N 84 128.512 128.512 125.697 2.815 18292 5486 1 9 . 1 1 84 84 ILE HA H 84 4.230 4.230 4.036 0.194 18292 5487 1 9 . 1 1 84 84 ILE C C 84 173.459 173.459 175.370 -1.911 18292 5488 1 9 . 1 1 84 84 ILE CA C 84 58.832 58.832 60.133 -1.301 18292 5489 1 9 . 1 1 84 84 ILE CB C 84 36.088 36.088 37.532 -1.444 18292 5490 1 9 . 1 1 84 84 ILE H H 84 8.683 8.683 8.699 -0.016 18292 5491 1 9 . 1 1 85 85 THR N N 85 115.456 115.456 116.667 -1.211 18292 5492 1 9 . 1 1 85 85 THR HA H 85 4.825 4.825 4.281 0.544 18292 5493 1 9 . 1 1 85 85 THR CA C 85 56.520 56.520 60.055 -3.535 18292 5494 1 9 . 1 1 85 85 THR CB C 85 68.803 68.803 71.768 -2.965 18292 5495 1 9 . 1 1 85 85 THR H H 85 7.318 7.318 7.925 -0.607 18292 5496 1 9 . 1 1 86 86 ALA N N 86 128.004 128.004 123.929 4.075 18292 5497 1 9 . 1 1 86 86 ALA HA H 86 5.542 5.542 5.492 0.050 18292 5498 1 9 . 1 1 86 86 ALA C C 86 173.070 173.070 175.330 -2.260 18292 5499 1 9 . 1 1 86 86 ALA CA C 86 47.491 47.491 49.751 -2.260 18292 5500 1 9 . 1 1 86 86 ALA CB C 86 22.241 22.241 22.491 -0.250 18292 5501 1 9 . 1 1 86 86 ALA H H 86 10.712 10.712 8.784 1.928 18292 5502 1 9 . 1 1 87 87 ALA N N 87 122.902 122.902 120.325 2.577 18292 5503 1 9 . 1 1 87 87 ALA HA H 87 4.499 4.499 4.721 -0.222 18292 5504 1 9 . 1 1 87 87 ALA C C 87 173.781 173.781 174.728 -0.947 18292 5505 1 9 . 1 1 87 87 ALA CA C 87 47.989 47.989 51.516 -3.527 18292 5506 1 9 . 1 1 87 87 ALA CB C 87 19.981 19.981 22.214 -2.233 18292 5507 1 9 . 1 1 87 87 ALA H H 87 8.413 8.413 8.276 0.137 18292 5508 1 9 . 1 1 88 88 TYR N N 88 120.267 120.267 119.826 0.441 18292 5509 1 9 . 1 1 88 88 TYR HA H 88 4.723 4.723 4.966 -0.243 18292 5510 1 9 . 1 1 88 88 TYR C C 88 173.615 173.615 176.849 -3.234 18292 5511 1 9 . 1 1 88 88 TYR CA C 88 57.556 57.556 57.388 0.168 18292 5512 1 9 . 1 1 88 88 TYR CB C 88 36.474 36.474 39.851 -3.377 18292 5513 1 9 . 1 1 88 88 TYR H H 88 8.311 8.311 8.667 -0.356 18292 5514 1 9 . 1 1 89 89 VAL N N 89 123.298 123.298 120.298 3.000 18292 5515 1 9 . 1 1 89 89 VAL HA H 89 4.696 4.696 4.708 -0.012 18292 5516 1 9 . 1 1 89 89 VAL CA C 89 55.899 55.899 59.538 -3.639 18292 5517 1 9 . 1 1 89 89 VAL CB C 89 33.445 33.445 32.481 0.964 18292 5518 1 9 . 1 1 89 89 VAL H H 89 8.420 8.420 8.541 -0.121 18292 5519 1 9 . 1 1 90 90 PRO HA H 90 4.450 4.450 4.741 -0.291 18292 5520 1 9 . 1 1 90 90 PRO CA C 90 60.310 60.310 62.578 -2.268 18292 5521 1 9 . 1 1 90 90 PRO CB C 90 30.489 30.489 31.987 -1.498 18292 5522 1 9 . 1 1 91 91 LEU N N 91 126.649 126.649 127.385 -0.736 18292 5523 1 9 . 1 1 91 91 LEU HA H 91 3.975 3.975 4.325 -0.350 18292 5524 1 9 . 1 1 91 91 LEU CA C 91 56.691 56.691 59.976 -3.285 18292 5525 1 9 . 1 1 91 91 LEU CB C 91 37.139 37.139 40.102 -2.963 18292 5526 1 9 . 1 1 91 91 LEU H H 91 8.997 8.997 8.894 0.103 18292 5527 1 9 . 1 1 92 92 PRO HA H 92 4.211 4.211 4.499 -0.288 18292 5528 1 9 . 1 1 92 92 PRO C C 92 177.175 177.175 177.600 -0.425 18292 5529 1 9 . 1 1 92 92 PRO CA C 92 63.104 63.104 64.593 -1.489 18292 5530 1 9 . 1 1 92 92 PRO CB C 92 27.973 27.973 31.478 -3.505 18292 5531 1 9 . 1 1 93 93 THR N N 93 112.839 112.839 114.678 -1.839 18292 5532 1 9 . 1 1 93 93 THR HA H 93 3.827 3.827 4.284 -0.457 18292 5533 1 9 . 1 1 93 93 THR C C 93 172.669 172.669 176.205 -3.536 18292 5534 1 9 . 1 1 93 93 THR CA C 93 63.096 63.096 65.733 -2.637 18292 5535 1 9 . 1 1 93 93 THR CB C 93 65.968 65.968 69.785 -3.817 18292 5536 1 9 . 1 1 93 93 THR H H 93 6.528 6.528 7.609 -1.081 18292 5537 1 9 . 1 1 94 94 TYR N N 94 125.195 125.195 124.368 0.827 18292 5538 1 9 . 1 1 94 94 TYR HA H 94 3.515 3.515 4.094 -0.579 18292 5539 1 9 . 1 1 94 94 TYR C C 94 174.953 174.953 177.372 -2.419 18292 5540 1 9 . 1 1 94 94 TYR CA C 94 60.012 60.012 62.057 -2.045 18292 5541 1 9 . 1 1 94 94 TYR CB C 94 37.588 37.588 38.685 -1.097 18292 5542 1 9 . 1 1 94 94 TYR H H 94 8.263 8.263 8.751 -0.488 18292 5543 1 9 . 1 1 95 95 HIS N N 95 114.994 114.994 117.137 -2.143 18292 5544 1 9 . 1 1 95 95 HIS HA H 95 4.187 4.187 4.278 -0.091 18292 5545 1 9 . 1 1 95 95 HIS C C 95 173.780 173.780 177.011 -3.231 18292 5546 1 9 . 1 1 95 95 HIS CA C 95 53.471 53.471 58.813 -5.342 18292 5547 1 9 . 1 1 95 95 HIS CB C 95 26.528 26.528 29.233 -2.705 18292 5548 1 9 . 1 1 95 95 HIS H H 95 8.529 8.529 8.347 0.182 18292 5549 1 9 . 1 1 96 96 ASN N N 96 116.599 116.599 116.323 0.276 18292 5550 1 9 . 1 1 96 96 ASN HA H 96 4.315 4.315 4.092 0.223 18292 5551 1 9 . 1 1 96 96 ASN C C 96 175.849 175.849 176.622 -0.773 18292 5552 1 9 . 1 1 96 96 ASN CA C 96 52.814 52.814 54.496 -1.682 18292 5553 1 9 . 1 1 96 96 ASN CB C 96 36.453 36.453 38.095 -1.642 18292 5554 1 9 . 1 1 96 96 ASN H H 96 7.343 7.343 7.415 -0.072 18292 5555 1 9 . 1 1 97 97 LEU N N 97 119.316 119.316 117.571 1.745 18292 5556 1 9 . 1 1 97 97 LEU HA H 97 3.406 3.406 3.892 -0.486 18292 5557 1 9 . 1 1 97 97 LEU CA C 97 54.399 54.399 56.685 -2.286 18292 5558 1 9 . 1 1 97 97 LEU CB C 97 39.614 39.614 42.434 -2.820 18292 5559 1 9 . 1 1 97 97 LEU H H 97 7.299 7.299 7.190 0.109 18292 5560 1 9 . 1 1 98 98 PHE N N 98 113.688 113.688 115.193 -1.505 18292 5561 1 9 . 1 1 98 98 PHE HA H 98 4.696 4.696 4.882 -0.186 18292 5562 1 9 . 1 1 98 98 PHE CA C 98 54.399 54.399 54.824 -0.425 18292 5563 1 9 . 1 1 98 98 PHE CB C 98 35.380 35.380 38.469 -3.089 18292 5564 1 9 . 1 1 98 98 PHE H H 98 7.795 7.795 7.713 0.082 18292 5565 1 9 . 1 1 99 99 PRO HA H 99 4.430 4.430 4.390 0.040 18292 5566 1 9 . 1 1 99 99 PRO C C 99 176.469 176.469 178.570 -2.101 18292 5567 1 9 . 1 1 99 99 PRO CA C 99 63.174 63.174 65.164 -1.990 18292 5568 1 9 . 1 1 99 99 PRO CB C 99 28.822 28.822 31.876 -3.054 18292 5569 1 9 . 1 1 100 100 ASP N N 100 115.482 115.482 117.554 -2.072 18292 5570 1 9 . 1 1 100 100 ASP HA H 100 4.306 4.306 4.375 -0.069 18292 5571 1 9 . 1 1 100 100 ASP C C 100 174.886 174.886 178.365 -3.479 18292 5572 1 9 . 1 1 100 100 ASP CA C 100 53.064 53.064 57.729 -4.665 18292 5573 1 9 . 1 1 100 100 ASP CB C 100 36.736 36.736 40.472 -3.736 18292 5574 1 9 . 1 1 100 100 ASP H H 100 8.897 8.897 8.905 -0.008 18292 5575 1 9 . 1 1 101 101 SER N N 101 114.743 114.743 114.087 0.656 18292 5576 1 9 . 1 1 101 101 SER HA H 101 3.876 3.876 4.291 -0.415 18292 5577 1 9 . 1 1 101 101 SER C C 101 173.539 173.539 176.684 -3.145 18292 5578 1 9 . 1 1 101 101 SER CA C 101 58.183 58.183 60.478 -2.295 18292 5579 1 9 . 1 1 101 101 SER CB C 101 61.403 61.403 62.653 -1.250 18292 5580 1 9 . 1 1 101 101 SER H H 101 8.057 8.057 7.628 0.429 18292 5581 1 9 . 1 1 102 102 MET N N 102 122.103 122.103 119.236 2.867 18292 5582 1 9 . 1 1 102 102 MET HA H 102 3.340 3.340 4.528 -1.188 18292 5583 1 9 . 1 1 102 102 MET C C 102 174.488 174.488 176.861 -2.373 18292 5584 1 9 . 1 1 102 102 MET CA C 102 56.606 56.606 57.812 -1.206 18292 5585 1 9 . 1 1 102 102 MET CB C 102 31.312 31.312 32.788 -1.476 18292 5586 1 9 . 1 1 102 102 MET H H 102 7.319 7.319 8.079 -0.760 18292 5587 1 9 . 1 1 103 103 THR N N 103 104.780 104.780 110.553 -5.773 18292 5588 1 9 . 1 1 103 103 THR HA H 103 4.318 4.318 4.523 -0.205 18292 5589 1 9 . 1 1 103 103 THR C C 103 171.121 171.121 174.454 -3.333 18292 5590 1 9 . 1 1 103 103 THR CA C 103 57.203 57.203 60.621 -3.418 18292 5591 1 9 . 1 1 103 103 THR CB C 103 65.753 65.753 69.213 -3.460 18292 5592 1 9 . 1 1 103 103 THR H H 103 7.216 7.216 7.541 -0.325 18292 5593 1 9 . 1 1 104 104 ALA N N 104 125.795 125.795 125.645 0.150 18292 5594 1 9 . 1 1 104 104 ALA HA H 104 4.347 4.347 4.418 -0.071 18292 5595 1 9 . 1 1 104 104 ALA C C 104 174.370 174.370 177.630 -3.260 18292 5596 1 9 . 1 1 104 104 ALA CA C 104 50.244 50.244 52.738 -2.494 18292 5597 1 9 . 1 1 104 104 ALA CB C 104 16.077 16.077 18.770 -2.693 18292 5598 1 9 . 1 1 104 104 ALA H H 104 6.605 6.605 7.441 -0.836 18292 5599 1 9 . 1 1 105 105 THR N N 105 111.482 111.482 114.906 -3.424 18292 5600 1 9 . 1 1 105 105 THR HA H 105 4.390 4.390 4.309 0.081 18292 5601 1 9 . 1 1 105 105 THR C C 105 171.563 171.563 174.028 -2.465 18292 5602 1 9 . 1 1 105 105 THR CA C 105 58.977 58.977 62.059 -3.082 18292 5603 1 9 . 1 1 105 105 THR CB C 105 68.537 68.537 68.837 -0.300 18292 5604 1 9 . 1 1 105 105 THR H H 105 8.698 8.698 8.209 0.489 18292 5605 1 9 . 1 1 106 106 GLN N N 106 123.003 123.003 119.840 3.163 18292 5606 1 9 . 1 1 106 106 GLN HA H 106 4.294 4.294 4.545 -0.251 18292 5607 1 9 . 1 1 106 106 GLN C C 106 172.973 172.973 174.590 -1.617 18292 5608 1 9 . 1 1 106 106 GLN CA C 106 52.710 52.710 54.096 -1.386 18292 5609 1 9 . 1 1 106 106 GLN CB C 106 27.282 27.282 30.471 -3.189 18292 5610 1 9 . 1 1 106 106 GLN H H 106 7.944 7.944 7.590 0.354 18292 5611 1 9 . 1 1 107 107 LEU N N 107 124.765 124.765 124.588 0.177 18292 5612 1 9 . 1 1 107 107 LEU HA H 107 4.328 4.328 4.514 -0.186 18292 5613 1 9 . 1 1 107 107 LEU C C 107 174.110 174.110 177.199 -3.089 18292 5614 1 9 . 1 1 107 107 LEU CA C 107 52.798 52.798 55.249 -2.451 18292 5615 1 9 . 1 1 107 107 LEU CB C 107 37.829 37.829 42.300 -4.471 18292 5616 1 9 . 1 1 107 107 LEU H H 107 8.390 8.390 8.644 -0.254 18292 5617 1 9 . 1 1 108 108 LEU N N 108 122.332 122.332 121.277 1.055 18292 5618 1 9 . 1 1 108 108 LEU HA H 108 4.259 4.259 4.802 -0.543 18292 5619 1 9 . 1 1 108 108 LEU C C 108 173.870 173.870 176.175 -2.305 18292 5620 1 9 . 1 1 108 108 LEU CA C 108 52.092 52.092 54.392 -2.300 18292 5621 1 9 . 1 1 108 108 LEU CB C 108 39.253 39.253 42.861 -3.608 18292 5622 1 9 . 1 1 108 108 LEU H H 108 8.480 8.480 8.629 -0.149 18292 5623 1 9 . 1 1 109 109 VAL N N 109 115.421 115.421 114.533 0.888 18292 5624 1 9 . 1 1 109 109 VAL HA H 109 4.444 4.444 4.614 -0.170 18292 5625 1 9 . 1 1 109 109 VAL CA C 109 55.640 55.640 58.506 -2.866 18292 5626 1 9 . 1 1 109 109 VAL CB C 109 31.153 31.153 32.484 -1.331 18292 5627 1 9 . 1 1 109 109 VAL H H 109 8.007 8.007 8.020 -0.013 18292 5628 1 9 . 1 1 110 110 PRO HA H 110 4.361 4.361 4.536 -0.175 18292 5629 1 9 . 1 1 110 110 PRO C C 110 173.778 173.778 175.746 -1.968 18292 5630 1 9 . 1 1 110 110 PRO CA C 110 59.737 59.737 62.971 -3.234 18292 5631 1 9 . 1 1 110 110 PRO CB C 110 29.710 29.710 32.728 -3.018 18292 5632 1 9 . 1 1 111 111 SER N N 111 120.434 120.434 114.571 5.863 18292 5633 1 9 . 1 1 111 111 SER HA H 111 4.139 4.139 4.595 -0.456 18292 5634 1 9 . 1 1 111 111 SER C C 111 172.475 172.475 174.039 -1.564 18292 5635 1 9 . 1 1 111 111 SER CA C 111 57.674 57.674 58.859 -1.185 18292 5636 1 9 . 1 1 111 111 SER CB C 111 60.580 60.580 65.417 -4.837 18292 5637 1 9 . 1 1 111 111 SER H H 111 9.945 9.945 9.421 0.524 18292 5638 1 9 . 1 1 112 112 ARG N N 112 121.013 121.013 121.337 -0.324 18292 5639 1 9 . 1 1 112 112 ARG HA H 112 4.253 4.253 4.512 -0.259 18292 5640 1 9 . 1 1 112 112 ARG C C 112 172.216 172.216 173.593 -1.377 18292 5641 1 9 . 1 1 112 112 ARG CA C 112 53.071 53.071 55.803 -2.732 18292 5642 1 9 . 1 1 112 112 ARG CB C 112 27.963 27.963 31.973 -4.010 18292 5643 1 9 . 1 1 112 112 ARG H H 112 7.861 7.861 8.574 -0.713 18292 5644 1 10 . 1 1 2 2 GLN N N 2 125.719 125.719 122.719 3.000 18292 5645 1 10 . 1 1 2 2 GLN HA H 2 4.571 4.571 4.668 -0.097 18292 5646 1 10 . 1 1 2 2 GLN CA C 2 50.502 50.502 54.181 -3.679 18292 5647 1 10 . 1 1 2 2 GLN CB C 2 26.254 26.254 29.059 -2.805 18292 5648 1 10 . 1 1 2 2 GLN H H 2 8.471 8.471 8.133 0.338 18292 5649 1 10 . 1 1 3 3 PRO HA H 3 4.311 4.311 4.360 -0.049 18292 5650 1 10 . 1 1 3 3 PRO C C 3 173.634 173.634 175.757 -2.123 18292 5651 1 10 . 1 1 3 3 PRO CA C 3 60.349 60.349 63.210 -2.861 18292 5652 1 10 . 1 1 3 3 PRO CB C 3 29.678 29.678 30.494 -0.816 18292 5653 1 10 . 1 1 4 4 LEU N N 4 122.253 122.253 125.091 -2.838 18292 5654 1 10 . 1 1 4 4 LEU HA H 4 4.133 4.133 4.422 -0.289 18292 5655 1 10 . 1 1 4 4 LEU C C 4 172.946 172.946 175.612 -2.666 18292 5656 1 10 . 1 1 4 4 LEU CA C 4 51.900 51.900 54.907 -3.007 18292 5657 1 10 . 1 1 4 4 LEU CB C 4 39.711 39.711 44.013 -4.302 18292 5658 1 10 . 1 1 4 4 LEU H H 4 7.912 7.912 7.797 0.115 18292 5659 1 10 . 1 1 5 5 ALA N N 5 122.619 122.619 128.792 -6.173 18292 5660 1 10 . 1 1 5 5 ALA HA H 5 2.385 2.385 3.695 -1.310 18292 5661 1 10 . 1 1 5 5 ALA C C 5 174.164 174.164 176.635 -2.471 18292 5662 1 10 . 1 1 5 5 ALA CA C 5 49.205 49.205 50.691 -1.486 18292 5663 1 10 . 1 1 5 5 ALA CB C 5 17.058 17.058 18.366 -1.308 18292 5664 1 10 . 1 1 5 5 ALA H H 5 7.415 7.415 8.350 -0.935 18292 5665 1 10 . 1 1 6 6 THR N N 6 112.768 112.768 115.097 -2.329 18292 5666 1 10 . 1 1 6 6 THR HA H 6 4.393 4.393 4.392 0.001 18292 5667 1 10 . 1 1 6 6 THR C C 6 168.908 168.908 174.495 -5.587 18292 5668 1 10 . 1 1 6 6 THR CA C 6 56.371 56.371 60.211 -3.840 18292 5669 1 10 . 1 1 6 6 THR CB C 6 68.874 68.874 70.754 -1.880 18292 5670 1 10 . 1 1 6 6 THR H H 6 6.601 6.601 7.632 -1.031 18292 5671 1 10 . 1 1 7 7 GLN N N 7 111.707 111.707 116.889 -5.182 18292 5672 1 10 . 1 1 7 7 GLN HA H 7 4.344 4.344 4.468 -0.124 18292 5673 1 10 . 1 1 7 7 GLN C C 7 171.068 171.068 174.685 -3.617 18292 5674 1 10 . 1 1 7 7 GLN CA C 7 53.795 53.795 56.675 -2.880 18292 5675 1 10 . 1 1 7 7 GLN CB C 7 28.252 28.252 27.552 0.700 18292 5676 1 10 . 1 1 7 7 GLN H H 7 8.547 8.547 8.831 -0.284 18292 5677 1 10 . 1 1 8 8 CYS N N 8 118.669 118.669 116.862 1.807 18292 5678 1 10 . 1 1 8 8 CYS HA H 8 5.389 5.389 4.931 0.458 18292 5679 1 10 . 1 1 8 8 CYS C C 8 171.026 171.026 173.680 -2.654 18292 5680 1 10 . 1 1 8 8 CYS CA C 8 53.652 53.652 57.570 -3.918 18292 5681 1 10 . 1 1 8 8 CYS CB C 8 29.416 29.416 31.387 -1.971 18292 5682 1 10 . 1 1 8 8 CYS H H 8 8.558 8.558 7.522 1.036 18292 5683 1 10 . 1 1 9 9 PHE N N 9 117.117 117.117 117.230 -0.113 18292 5684 1 10 . 1 1 9 9 PHE HA H 9 5.369 5.369 5.085 0.284 18292 5685 1 10 . 1 1 9 9 PHE C C 9 168.313 168.313 172.608 -4.295 18292 5686 1 10 . 1 1 9 9 PHE CA C 9 53.341 53.341 55.663 -2.322 18292 5687 1 10 . 1 1 9 9 PHE CB C 9 39.008 39.008 41.062 -2.054 18292 5688 1 10 . 1 1 9 9 PHE H H 9 9.533 9.533 7.984 1.549 18292 5689 1 10 . 1 1 10 10 GLN N N 10 118.344 118.344 116.836 1.508 18292 5690 1 10 . 1 1 10 10 GLN HA H 10 5.063 5.063 4.688 0.375 18292 5691 1 10 . 1 1 10 10 GLN C C 10 173.280 173.280 174.503 -1.223 18292 5692 1 10 . 1 1 10 10 GLN CA C 10 50.242 50.242 54.299 -4.057 18292 5693 1 10 . 1 1 10 10 GLN CB C 10 30.263 30.263 31.224 -0.960 18292 5694 1 10 . 1 1 10 10 GLN H H 10 9.299 9.299 8.834 0.465 18292 5695 1 10 . 1 1 11 11 LEU N N 11 128.664 128.664 125.064 3.600 18292 5696 1 10 . 1 1 11 11 LEU HA H 11 5.474 5.474 4.844 0.630 18292 5697 1 10 . 1 1 11 11 LEU C C 11 173.987 173.987 177.988 -4.001 18292 5698 1 10 . 1 1 11 11 LEU CA C 11 50.153 50.153 54.646 -4.493 18292 5699 1 10 . 1 1 11 11 LEU CB C 11 41.779 41.779 43.162 -1.383 18292 5700 1 10 . 1 1 11 11 LEU H H 11 9.679 9.679 8.188 1.491 18292 5701 1 10 . 1 1 12 12 SER N N 12 115.661 115.661 114.213 1.448 18292 5702 1 10 . 1 1 12 12 SER HA H 12 4.877 4.877 4.771 0.106 18292 5703 1 10 . 1 1 12 12 SER C C 12 170.086 170.086 173.075 -2.989 18292 5704 1 10 . 1 1 12 12 SER CA C 12 54.698 54.698 58.188 -3.490 18292 5705 1 10 . 1 1 12 12 SER CB C 12 63.054 63.054 63.278 -0.224 18292 5706 1 10 . 1 1 12 12 SER H H 12 8.717 8.717 8.342 0.375 18292 5707 1 10 . 1 1 13 13 ASN N N 13 114.812 114.812 117.993 -3.181 18292 5708 1 10 . 1 1 13 13 ASN HA H 13 4.165 4.165 4.751 -0.586 18292 5709 1 10 . 1 1 13 13 ASN C C 13 171.867 171.867 174.546 -2.679 18292 5710 1 10 . 1 1 13 13 ASN CA C 13 51.269 51.269 53.442 -2.173 18292 5711 1 10 . 1 1 13 13 ASN CB C 13 34.988 34.988 40.053 -5.065 18292 5712 1 10 . 1 1 13 13 ASN H H 13 8.563 8.563 8.123 0.440 18292 5713 1 10 . 1 1 14 14 MET N N 14 113.100 113.100 118.351 -5.251 18292 5714 1 10 . 1 1 14 14 MET HA H 14 4.258 4.258 4.577 -0.319 18292 5715 1 10 . 1 1 14 14 MET C C 14 171.935 171.935 175.242 -3.307 18292 5716 1 10 . 1 1 14 14 MET CA C 14 53.020 53.020 55.447 -2.427 18292 5717 1 10 . 1 1 14 14 MET CB C 14 29.746 29.746 33.066 -3.320 18292 5718 1 10 . 1 1 14 14 MET H H 14 8.261 8.261 8.077 0.184 18292 5719 1 10 . 1 1 15 15 PHE N N 15 108.769 108.769 110.490 -1.721 18292 5720 1 10 . 1 1 15 15 PHE HA H 15 4.485 4.485 4.796 -0.311 18292 5721 1 10 . 1 1 15 15 PHE C C 15 170.024 170.024 173.191 -3.167 18292 5722 1 10 . 1 1 15 15 PHE CA C 15 53.080 53.080 55.187 -2.107 18292 5723 1 10 . 1 1 15 15 PHE CB C 15 36.300 36.300 40.246 -3.946 18292 5724 1 10 . 1 1 15 15 PHE H H 15 6.804 6.804 7.111 -0.307 18292 5725 1 10 . 1 1 16 16 ASN N N 16 117.922 117.922 117.897 0.025 18292 5726 1 10 . 1 1 16 16 ASN HA H 16 4.932 4.932 5.155 -0.223 18292 5727 1 10 . 1 1 16 16 ASN CA C 16 47.510 47.510 50.419 -2.909 18292 5728 1 10 . 1 1 16 16 ASN CB C 16 36.512 36.512 39.702 -3.190 18292 5729 1 10 . 1 1 16 16 ASN H H 16 8.681 8.681 8.546 0.135 18292 5730 1 10 . 1 1 17 17 PRO HA H 17 4.102 4.102 4.464 -0.362 18292 5731 1 10 . 1 1 17 17 PRO C C 17 174.773 174.773 176.403 -1.630 18292 5732 1 10 . 1 1 17 17 PRO CA C 17 61.933 61.933 64.209 -2.276 18292 5733 1 10 . 1 1 17 17 PRO CB C 17 29.557 29.557 32.313 -2.756 18292 5734 1 10 . 1 1 18 18 GLN N N 18 116.462 116.462 115.839 0.623 18292 5735 1 10 . 1 1 18 18 GLN HA H 18 4.146 4.146 4.445 -0.299 18292 5736 1 10 . 1 1 18 18 GLN C C 18 174.423 174.423 175.314 -0.891 18292 5737 1 10 . 1 1 18 18 GLN CA C 18 54.067 54.067 55.577 -1.510 18292 5738 1 10 . 1 1 18 18 GLN CB C 18 26.326 26.326 28.854 -2.528 18292 5739 1 10 . 1 1 18 18 GLN H H 18 7.934 7.934 7.900 0.034 18292 5740 1 10 . 1 1 19 19 THR N N 19 112.362 112.362 115.065 -2.703 18292 5741 1 10 . 1 1 19 19 THR HA H 19 4.176 4.176 4.397 -0.221 18292 5742 1 10 . 1 1 19 19 THR C C 19 171.908 171.908 172.862 -0.954 18292 5743 1 10 . 1 1 19 19 THR CA C 19 59.509 59.509 61.295 -1.786 18292 5744 1 10 . 1 1 19 19 THR CB C 19 66.360 66.360 68.442 -2.082 18292 5745 1 10 . 1 1 19 19 THR H H 19 7.723 7.723 7.674 0.049 18292 5746 1 10 . 1 1 20 20 GLU N N 20 120.326 120.326 120.012 0.314 18292 5747 1 10 . 1 1 20 20 GLU HA H 20 3.658 3.658 4.128 -0.470 18292 5748 1 10 . 1 1 20 20 GLU C C 20 173.311 173.311 174.830 -1.519 18292 5749 1 10 . 1 1 20 20 GLU CA C 20 53.164 53.164 55.355 -2.191 18292 5750 1 10 . 1 1 20 20 GLU CB C 20 25.837 25.837 30.532 -4.696 18292 5751 1 10 . 1 1 20 20 GLU H H 20 7.312 7.312 7.532 -0.220 18292 5752 1 10 . 1 1 21 21 GLU N N 21 120.796 120.796 121.671 -0.875 18292 5753 1 10 . 1 1 21 21 GLU HA H 21 4.162 4.162 4.294 -0.132 18292 5754 1 10 . 1 1 21 21 GLU C C 21 173.747 173.747 175.329 -1.582 18292 5755 1 10 . 1 1 21 21 GLU CA C 21 53.873 53.873 56.427 -2.554 18292 5756 1 10 . 1 1 21 21 GLU CB C 21 28.445 28.445 30.445 -2.000 18292 5757 1 10 . 1 1 21 21 GLU H H 21 8.011 8.011 8.408 -0.397 18292 5758 1 10 . 1 1 22 22 GLU N N 22 121.370 121.370 118.746 2.624 18292 5759 1 10 . 1 1 22 22 GLU HA H 22 4.393 4.393 4.591 -0.198 18292 5760 1 10 . 1 1 22 22 GLU C C 22 173.536 173.536 174.944 -1.408 18292 5761 1 10 . 1 1 22 22 GLU CA C 22 52.982 52.982 55.527 -2.545 18292 5762 1 10 . 1 1 22 22 GLU CB C 22 28.012 28.012 30.993 -2.981 18292 5763 1 10 . 1 1 22 22 GLU H H 22 8.039 8.039 7.874 0.165 18292 5764 1 10 . 1 1 23 23 VAL N N 23 123.340 123.340 125.089 -1.749 18292 5765 1 10 . 1 1 23 23 VAL HA H 23 3.901 3.901 4.051 -0.150 18292 5766 1 10 . 1 1 23 23 VAL C C 23 175.077 175.077 176.965 -1.888 18292 5767 1 10 . 1 1 23 23 VAL CA C 23 61.540 61.540 64.136 -2.596 18292 5768 1 10 . 1 1 23 23 VAL CB C 23 29.361 29.361 32.211 -2.850 18292 5769 1 10 . 1 1 23 23 VAL H H 23 8.447 8.447 8.689 -0.242 18292 5770 1 10 . 1 1 24 24 GLY N N 24 114.476 114.476 116.774 -2.298 18292 5771 1 10 . 1 1 24 24 GLY C C 24 173.717 173.717 175.247 -1.530 18292 5772 1 10 . 1 1 24 24 GLY CA C 24 42.667 42.667 44.925 -2.258 18292 5773 1 10 . 1 1 24 24 GLY H H 24 9.087 9.087 8.609 0.478 18292 5774 1 10 . 1 1 25 25 TRP N N 25 121.382 121.382 121.429 -0.047 18292 5775 1 10 . 1 1 25 25 TRP HA H 25 4.214 4.214 4.502 -0.288 18292 5776 1 10 . 1 1 25 25 TRP C C 25 174.056 174.056 175.584 -1.528 18292 5777 1 10 . 1 1 25 25 TRP CA C 25 56.093 56.093 57.379 -1.286 18292 5778 1 10 . 1 1 25 25 TRP CB C 25 25.016 25.016 28.295 -3.279 18292 5779 1 10 . 1 1 26 26 ASP N N 26 118.789 118.789 120.765 -1.976 18292 5780 1 10 . 1 1 26 26 ASP HA H 26 3.261 3.261 4.181 -0.920 18292 5781 1 10 . 1 1 26 26 ASP C C 26 174.709 174.709 177.574 -2.865 18292 5782 1 10 . 1 1 26 26 ASP CA C 26 52.705 52.705 55.931 -3.225 18292 5783 1 10 . 1 1 26 26 ASP CB C 26 34.503 34.503 40.035 -5.532 18292 5784 1 10 . 1 1 26 26 ASP H H 26 7.939 7.939 7.608 0.331 18292 5785 1 10 . 1 1 27 27 THR N N 27 118.934 118.934 116.414 2.520 18292 5786 1 10 . 1 1 27 27 THR HA H 27 3.552 3.552 3.929 -0.377 18292 5787 1 10 . 1 1 27 27 THR C C 27 172.390 172.390 176.459 -4.069 18292 5788 1 10 . 1 1 27 27 THR CA C 27 63.307 63.307 67.084 -3.776 18292 5789 1 10 . 1 1 27 27 THR CB C 27 65.331 65.331 68.859 -3.528 18292 5790 1 10 . 1 1 27 27 THR H H 27 7.103 7.103 7.887 -0.784 18292 5791 1 10 . 1 1 28 28 GLU N N 28 120.484 120.484 120.508 -0.024 18292 5792 1 10 . 1 1 28 28 GLU HA H 28 3.978 3.978 4.187 -0.209 18292 5793 1 10 . 1 1 28 28 GLU C C 28 175.447 175.447 178.795 -3.348 18292 5794 1 10 . 1 1 28 28 GLU CA C 28 56.760 56.760 59.460 -2.700 18292 5795 1 10 . 1 1 28 28 GLU CB C 28 26.418 26.418 28.962 -2.545 18292 5796 1 10 . 1 1 28 28 GLU H H 28 7.473 7.473 8.551 -1.078 18292 5797 1 10 . 1 1 29 29 ILE N N 29 116.961 116.961 119.525 -2.564 18292 5798 1 10 . 1 1 29 29 ILE HA H 29 3.773 3.773 3.879 -0.106 18292 5799 1 10 . 1 1 29 29 ILE C C 29 174.605 174.605 177.894 -3.289 18292 5800 1 10 . 1 1 29 29 ILE CA C 29 61.243 61.243 64.713 -3.470 18292 5801 1 10 . 1 1 29 29 ILE CB C 29 35.267 35.267 37.419 -2.151 18292 5802 1 10 . 1 1 29 29 ILE H H 29 7.113 7.113 7.685 -0.572 18292 5803 1 10 . 1 1 30 30 LYS N N 30 118.457 118.457 121.088 -2.631 18292 5804 1 10 . 1 1 30 30 LYS HA H 30 3.430 3.430 3.912 -0.482 18292 5805 1 10 . 1 1 30 30 LYS C C 30 174.886 174.886 178.363 -3.477 18292 5806 1 10 . 1 1 30 30 LYS CA C 30 57.872 57.872 60.101 -2.229 18292 5807 1 10 . 1 1 30 30 LYS CB C 30 29.680 29.680 32.221 -2.541 18292 5808 1 10 . 1 1 30 30 LYS H H 30 7.480 7.480 8.045 -0.565 18292 5809 1 10 . 1 1 31 31 ASP N N 31 118.630 118.630 119.647 -1.017 18292 5810 1 10 . 1 1 31 31 ASP HA H 31 4.233 4.233 4.254 -0.021 18292 5811 1 10 . 1 1 31 31 ASP C C 31 175.558 175.558 177.813 -2.255 18292 5812 1 10 . 1 1 31 31 ASP CA C 31 55.137 55.137 57.706 -2.569 18292 5813 1 10 . 1 1 31 31 ASP CB C 31 36.829 36.829 40.647 -3.818 18292 5814 1 10 . 1 1 31 31 ASP H H 31 8.334 8.334 8.111 0.223 18292 5815 1 10 . 1 1 32 32 ASP N N 32 120.576 120.576 119.680 0.896 18292 5816 1 10 . 1 1 32 32 ASP HA H 32 4.277 4.277 4.351 -0.074 18292 5817 1 10 . 1 1 32 32 ASP C C 32 176.966 176.966 178.431 -1.465 18292 5818 1 10 . 1 1 32 32 ASP CA C 32 54.829 54.829 57.574 -2.745 18292 5819 1 10 . 1 1 32 32 ASP CB C 32 37.331 37.331 41.056 -3.725 18292 5820 1 10 . 1 1 32 32 ASP H H 32 8.189 8.189 8.088 0.101 18292 5821 1 10 . 1 1 33 33 VAL N N 33 121.083 121.083 118.913 2.170 18292 5822 1 10 . 1 1 33 33 VAL HA H 33 3.444 3.444 3.778 -0.334 18292 5823 1 10 . 1 1 33 33 VAL C C 33 175.529 175.529 178.039 -2.510 18292 5824 1 10 . 1 1 33 33 VAL CA C 33 64.511 64.511 65.790 -1.280 18292 5825 1 10 . 1 1 33 33 VAL CB C 33 28.920 28.920 31.685 -2.765 18292 5826 1 10 . 1 1 33 33 VAL H H 33 8.069 8.069 7.403 0.666 18292 5827 1 10 . 1 1 34 34 ILE N N 34 122.145 122.145 121.733 0.412 18292 5828 1 10 . 1 1 34 34 ILE HA H 34 3.272 3.272 3.790 -0.518 18292 5829 1 10 . 1 1 34 34 ILE C C 34 174.723 174.723 177.987 -3.264 18292 5830 1 10 . 1 1 34 34 ILE CA C 34 63.723 63.723 65.000 -1.277 18292 5831 1 10 . 1 1 34 34 ILE CB C 34 35.949 35.949 37.682 -1.733 18292 5832 1 10 . 1 1 34 34 ILE H H 34 8.887 8.887 7.589 1.298 18292 5833 1 10 . 1 1 35 35 GLU N N 35 117.927 117.927 119.236 -1.309 18292 5834 1 10 . 1 1 35 35 GLU HA H 35 3.830 3.830 3.943 -0.113 18292 5835 1 10 . 1 1 35 35 GLU C C 35 176.747 176.747 178.995 -2.248 18292 5836 1 10 . 1 1 35 35 GLU CA C 35 57.183 57.183 59.603 -2.420 18292 5837 1 10 . 1 1 35 35 GLU CB C 35 26.969 26.969 29.209 -2.240 18292 5838 1 10 . 1 1 35 35 GLU H H 35 8.565 8.565 8.190 0.375 18292 5839 1 10 . 1 1 36 36 GLU N N 36 117.299 117.299 118.962 -1.663 18292 5840 1 10 . 1 1 36 36 GLU HA H 36 4.012 4.012 4.138 -0.126 18292 5841 1 10 . 1 1 36 36 GLU C C 36 176.604 176.604 179.317 -2.713 18292 5842 1 10 . 1 1 36 36 GLU CA C 36 56.357 56.357 59.546 -3.189 18292 5843 1 10 . 1 1 36 36 GLU CB C 36 26.612 26.612 29.709 -3.097 18292 5844 1 10 . 1 1 36 36 GLU H H 36 7.523 7.523 7.703 -0.180 18292 5845 1 10 . 1 1 37 37 CYS N N 37 116.308 116.308 118.392 -2.084 18292 5846 1 10 . 1 1 37 37 CYS HA H 37 4.141 4.141 4.185 -0.044 18292 5847 1 10 . 1 1 37 37 CYS C C 37 175.888 175.888 176.514 -0.626 18292 5848 1 10 . 1 1 37 37 CYS CA C 37 61.915 61.915 62.091 -0.176 18292 5849 1 10 . 1 1 37 37 CYS CB C 37 24.513 24.513 27.722 -3.209 18292 5850 1 10 . 1 1 37 37 CYS H H 37 8.754 8.754 7.704 1.050 18292 5851 1 10 . 1 1 38 38 ASN N N 38 121.598 121.598 118.039 3.559 18292 5852 1 10 . 1 1 38 38 ASN HA H 38 4.452 4.452 4.461 -0.009 18292 5853 1 10 . 1 1 38 38 ASN C C 38 174.340 174.340 176.483 -2.143 18292 5854 1 10 . 1 1 38 38 ASN CA C 38 52.249 52.249 55.626 -3.377 18292 5855 1 10 . 1 1 38 38 ASN CB C 38 34.488 34.488 38.587 -4.099 18292 5856 1 10 . 1 1 38 38 ASN H H 38 8.800 8.800 8.247 0.553 18292 5857 1 10 . 1 1 39 39 LYS N N 39 119.297 119.297 115.838 3.459 18292 5858 1 10 . 1 1 39 39 LYS HA H 39 4.002 4.002 4.229 -0.227 18292 5859 1 10 . 1 1 39 39 LYS C C 39 174.388 174.388 176.164 -1.776 18292 5860 1 10 . 1 1 39 39 LYS CA C 39 55.239 55.239 56.474 -1.235 18292 5861 1 10 . 1 1 39 39 LYS CB C 39 29.477 29.477 32.423 -2.946 18292 5862 1 10 . 1 1 39 39 LYS H H 39 7.427 7.427 7.608 -0.181 18292 5863 1 10 . 1 1 40 40 HIS N N 40 114.421 114.421 115.619 -1.198 18292 5864 1 10 . 1 1 40 40 HIS HA H 40 4.896 4.896 4.799 0.097 18292 5865 1 10 . 1 1 40 40 HIS C C 40 171.895 171.895 176.000 -4.105 18292 5866 1 10 . 1 1 40 40 HIS CA C 40 51.758 51.758 57.191 -5.433 18292 5867 1 10 . 1 1 40 40 HIS CB C 40 28.775 28.775 33.319 -4.545 18292 5868 1 10 . 1 1 40 40 HIS H H 40 7.453 7.453 7.838 -0.385 18292 5869 1 10 . 1 1 41 41 GLY N N 41 106.587 106.587 105.493 1.094 18292 5870 1 10 . 1 1 41 41 GLY C C 41 171.376 171.376 173.914 -2.538 18292 5871 1 10 . 1 1 41 41 GLY CA C 41 42.388 42.388 45.588 -3.200 18292 5872 1 10 . 1 1 41 41 GLY H H 41 7.599 7.599 8.475 -0.876 18292 5873 1 10 . 1 1 42 42 GLY N N 42 107.066 107.066 108.826 -1.760 18292 5874 1 10 . 1 1 42 42 GLY C C 42 169.120 169.120 172.274 -3.154 18292 5875 1 10 . 1 1 42 42 GLY CA C 42 41.518 41.518 44.870 -3.352 18292 5876 1 10 . 1 1 42 42 GLY H H 42 7.942 7.942 7.767 0.175 18292 5877 1 10 . 1 1 43 43 VAL N N 43 114.640 114.640 118.809 -4.169 18292 5878 1 10 . 1 1 43 43 VAL HA H 43 4.527 4.527 4.486 0.041 18292 5879 1 10 . 1 1 43 43 VAL C C 43 169.861 169.861 174.597 -4.736 18292 5880 1 10 . 1 1 43 43 VAL CA C 43 58.404 58.404 60.459 -2.055 18292 5881 1 10 . 1 1 43 43 VAL CB C 43 31.692 31.692 35.680 -3.988 18292 5882 1 10 . 1 1 43 43 VAL H H 43 8.679 8.679 8.380 0.299 18292 5883 1 10 . 1 1 44 44 ILE N N 44 115.792 115.792 120.226 -4.434 18292 5884 1 10 . 1 1 44 44 ILE HA H 44 4.918 4.918 5.035 -0.117 18292 5885 1 10 . 1 1 44 44 ILE C C 44 172.246 172.246 174.932 -2.686 18292 5886 1 10 . 1 1 44 44 ILE CA C 44 57.770 57.770 60.519 -2.749 18292 5887 1 10 . 1 1 44 44 ILE CB C 44 37.197 37.197 40.152 -2.955 18292 5888 1 10 . 1 1 44 44 ILE H H 44 8.587 8.587 8.728 -0.141 18292 5889 1 10 . 1 1 45 45 HIS N N 45 122.684 122.684 117.464 5.220 18292 5890 1 10 . 1 1 45 45 HIS HA H 45 4.426 4.426 4.816 -0.390 18292 5891 1 10 . 1 1 45 45 HIS C C 45 168.452 168.452 172.728 -4.276 18292 5892 1 10 . 1 1 45 45 HIS CA C 45 55.548 55.548 56.367 -0.819 18292 5893 1 10 . 1 1 45 45 HIS CB C 45 31.632 31.632 34.171 -2.539 18292 5894 1 10 . 1 1 45 45 HIS H H 45 7.791 7.791 7.690 0.101 18292 5895 1 10 . 1 1 46 46 ILE N N 46 123.917 123.917 124.024 -0.107 18292 5896 1 10 . 1 1 46 46 ILE HA H 46 5.120 5.120 4.894 0.226 18292 5897 1 10 . 1 1 46 46 ILE C C 46 170.171 170.171 173.584 -3.413 18292 5898 1 10 . 1 1 46 46 ILE CA C 46 56.063 56.063 60.124 -4.061 18292 5899 1 10 . 1 1 46 46 ILE CB C 46 39.753 39.753 42.383 -2.630 18292 5900 1 10 . 1 1 46 46 ILE H H 46 7.391 7.391 8.351 -0.960 18292 5901 1 10 . 1 1 47 47 TYR N N 47 125.750 125.750 129.734 -3.984 18292 5902 1 10 . 1 1 47 47 TYR HA H 47 4.370 4.370 4.830 -0.460 18292 5903 1 10 . 1 1 47 47 TYR C C 47 171.029 171.029 173.350 -2.321 18292 5904 1 10 . 1 1 47 47 TYR CA C 47 54.800 54.800 57.030 -2.230 18292 5905 1 10 . 1 1 47 47 TYR CB C 47 39.851 39.851 41.357 -1.506 18292 5906 1 10 . 1 1 47 47 TYR H H 47 9.055 9.055 9.275 -0.220 18292 5907 1 10 . 1 1 48 48 VAL N N 48 129.720 129.720 129.637 0.083 18292 5908 1 10 . 1 1 48 48 VAL HA H 48 3.869 3.869 4.020 -0.151 18292 5909 1 10 . 1 1 48 48 VAL C C 48 170.949 170.949 173.835 -2.886 18292 5910 1 10 . 1 1 48 48 VAL CA C 48 59.328 59.328 61.148 -1.820 18292 5911 1 10 . 1 1 48 48 VAL CB C 48 29.022 29.022 32.684 -3.662 18292 5912 1 10 . 1 1 48 48 VAL H H 48 8.290 8.290 8.390 -0.100 18292 5913 1 10 . 1 1 49 49 ASP N N 49 125.287 125.287 126.209 -0.922 18292 5914 1 10 . 1 1 49 49 ASP HA H 49 4.703 4.703 3.981 0.722 18292 5915 1 10 . 1 1 49 49 ASP C C 49 173.851 173.851 175.638 -1.787 18292 5916 1 10 . 1 1 49 49 ASP CA C 49 50.349 50.349 54.343 -3.994 18292 5917 1 10 . 1 1 49 49 ASP CB C 49 38.139 38.139 42.066 -3.927 18292 5918 1 10 . 1 1 49 49 ASP H H 49 8.274 8.274 7.878 0.396 18292 5919 1 10 . 1 1 50 50 LYS N N 50 125.099 125.099 118.672 6.427 18292 5920 1 10 . 1 1 50 50 LYS HA H 50 4.096 4.096 3.890 0.205 18292 5921 1 10 . 1 1 50 50 LYS C C 50 173.120 173.120 177.246 -4.126 18292 5922 1 10 . 1 1 50 50 LYS CA C 50 56.284 56.284 56.914 -0.630 18292 5923 1 10 . 1 1 50 50 LYS CB C 50 29.763 29.763 33.553 -3.790 18292 5924 1 10 . 1 1 50 50 LYS H H 50 8.090 8.090 8.397 -0.307 18292 5925 1 10 . 1 1 51 51 ASN N N 51 114.422 114.422 121.174 -6.752 18292 5926 1 10 . 1 1 51 51 ASN HA H 51 4.931 4.931 4.811 0.120 18292 5927 1 10 . 1 1 51 51 ASN C C 51 172.685 172.685 174.457 -1.772 18292 5928 1 10 . 1 1 51 51 ASN CA C 51 50.744 50.744 53.733 -2.989 18292 5929 1 10 . 1 1 51 51 ASN CB C 51 37.036 37.036 38.174 -1.138 18292 5930 1 10 . 1 1 51 51 ASN H H 51 8.272 8.272 8.441 -0.169 18292 5931 1 10 . 1 1 52 52 SER N N 52 115.013 115.013 115.479 -0.466 18292 5932 1 10 . 1 1 52 52 SER HA H 52 4.410 4.410 4.743 -0.333 18292 5933 1 10 . 1 1 52 52 SER C C 52 172.628 172.628 174.362 -1.734 18292 5934 1 10 . 1 1 52 52 SER CA C 52 55.035 55.035 57.462 -2.427 18292 5935 1 10 . 1 1 52 52 SER CB C 52 61.604 61.604 65.011 -3.407 18292 5936 1 10 . 1 1 52 52 SER H H 52 7.920 7.920 7.992 -0.072 18292 5937 1 10 . 1 1 53 53 ALA N N 53 129.163 129.163 128.444 0.719 18292 5938 1 10 . 1 1 53 53 ALA HA H 53 4.088 4.088 4.397 -0.309 18292 5939 1 10 . 1 1 53 53 ALA C C 53 175.951 175.951 177.519 -1.568 18292 5940 1 10 . 1 1 53 53 ALA CA C 53 51.409 51.409 53.504 -2.095 18292 5941 1 10 . 1 1 53 53 ALA CB C 53 15.878 15.878 18.958 -3.080 18292 5942 1 10 . 1 1 53 53 ALA H H 53 8.837 8.837 8.691 0.146 18292 5943 1 10 . 1 1 54 54 GLN N N 54 113.081 113.081 117.125 -4.044 18292 5944 1 10 . 1 1 54 54 GLN HA H 54 4.202 4.202 4.378 -0.176 18292 5945 1 10 . 1 1 54 54 GLN C C 54 173.388 173.388 175.901 -2.513 18292 5946 1 10 . 1 1 54 54 GLN CA C 54 52.993 52.993 54.284 -1.291 18292 5947 1 10 . 1 1 54 54 GLN CB C 54 26.360 26.360 29.052 -2.692 18292 5948 1 10 . 1 1 54 54 GLN H H 54 7.836 7.836 7.427 0.409 18292 5949 1 10 . 1 1 55 55 GLY N N 55 108.967 108.967 108.727 0.240 18292 5950 1 10 . 1 1 55 55 GLY CA C 55 45.087 45.087 45.008 0.079 18292 5951 1 10 . 1 1 55 55 GLY H H 55 7.191 7.191 8.533 -1.342 18292 5952 1 10 . 1 1 56 56 ASN N N 56 114.505 114.505 117.939 -3.434 18292 5953 1 10 . 1 1 56 56 ASN HA H 56 5.520 5.520 5.017 0.503 18292 5954 1 10 . 1 1 56 56 ASN C C 56 172.166 172.166 175.019 -2.853 18292 5955 1 10 . 1 1 56 56 ASN CA C 56 50.462 50.462 54.295 -3.833 18292 5956 1 10 . 1 1 56 56 ASN CB C 56 38.400 38.400 40.331 -1.931 18292 5957 1 10 . 1 1 56 56 ASN H H 56 7.614 7.614 7.596 0.018 18292 5958 1 10 . 1 1 57 57 VAL N N 57 119.859 119.859 120.999 -1.140 18292 5959 1 10 . 1 1 57 57 VAL HA H 57 4.692 4.692 4.792 -0.100 18292 5960 1 10 . 1 1 57 57 VAL C C 57 170.667 170.667 174.579 -3.912 18292 5961 1 10 . 1 1 57 57 VAL CA C 57 58.163 58.163 60.583 -2.420 18292 5962 1 10 . 1 1 57 57 VAL CB C 57 33.663 33.663 35.961 -2.298 18292 5963 1 10 . 1 1 57 57 VAL H H 57 8.354 8.354 8.098 0.256 18292 5964 1 10 . 1 1 58 58 TYR N N 58 128.478 128.478 121.171 7.307 18292 5965 1 10 . 1 1 58 58 TYR HA H 58 4.937 4.937 5.062 -0.125 18292 5966 1 10 . 1 1 58 58 TYR C C 58 170.605 170.605 173.944 -3.339 18292 5967 1 10 . 1 1 58 58 TYR CA C 58 55.354 55.354 57.478 -2.124 18292 5968 1 10 . 1 1 58 58 TYR CB C 58 37.775 37.775 41.855 -4.080 18292 5969 1 10 . 1 1 58 58 TYR H H 58 9.275 9.275 8.914 0.361 18292 5970 1 10 . 1 1 59 59 VAL N N 59 123.117 123.117 122.099 1.018 18292 5971 1 10 . 1 1 59 59 VAL HA H 59 4.462 4.462 4.689 -0.227 18292 5972 1 10 . 1 1 59 59 VAL C C 59 170.875 170.875 173.275 -2.400 18292 5973 1 10 . 1 1 59 59 VAL CA C 59 58.527 58.527 59.574 -1.047 18292 5974 1 10 . 1 1 59 59 VAL CB C 59 32.611 32.611 36.062 -3.451 18292 5975 1 10 . 1 1 59 59 VAL H H 59 8.860 8.860 8.769 0.091 18292 5976 1 10 . 1 1 60 60 LYS N N 60 123.266 123.266 126.172 -2.906 18292 5977 1 10 . 1 1 60 60 LYS HA H 60 4.745 4.745 4.749 -0.004 18292 5978 1 10 . 1 1 60 60 LYS C C 60 173.399 173.399 175.215 -1.816 18292 5979 1 10 . 1 1 60 60 LYS CA C 60 52.207 52.207 54.927 -2.720 18292 5980 1 10 . 1 1 60 60 LYS CB C 60 34.244 34.244 35.812 -1.568 18292 5981 1 10 . 1 1 60 60 LYS H H 60 8.668 8.668 8.743 -0.075 18292 5982 1 10 . 1 1 61 61 CYS N N 61 125.267 125.267 126.375 -1.108 18292 5983 1 10 . 1 1 61 61 CYS HA H 61 4.740 4.740 4.902 -0.162 18292 5984 1 10 . 1 1 61 61 CYS CA C 61 56.393 56.393 56.609 -0.216 18292 5985 1 10 . 1 1 61 61 CYS CB C 61 27.416 27.416 28.578 -1.162 18292 5986 1 10 . 1 1 61 61 CYS H H 61 9.207 9.207 9.080 0.127 18292 5987 1 10 . 1 1 62 62 PRO HA H 62 4.266 4.266 4.484 -0.218 18292 5988 1 10 . 1 1 62 62 PRO C C 62 171.443 171.443 175.712 -4.269 18292 5989 1 10 . 1 1 62 62 PRO CA C 62 61.167 61.167 64.153 -2.986 18292 5990 1 10 . 1 1 62 62 PRO CB C 62 29.450 29.450 32.242 -2.792 18292 5991 1 10 . 1 1 63 63 SER N N 63 108.558 108.558 111.716 -3.158 18292 5992 1 10 . 1 1 63 63 SER HA H 63 4.606 4.606 4.748 -0.142 18292 5993 1 10 . 1 1 63 63 SER C C 63 171.147 171.147 174.353 -3.206 18292 5994 1 10 . 1 1 63 63 SER CA C 63 53.259 53.259 56.943 -3.684 18292 5995 1 10 . 1 1 63 63 SER CB C 63 63.378 63.378 66.526 -3.148 18292 5996 1 10 . 1 1 63 63 SER H H 63 6.990 6.990 7.474 -0.484 18292 5997 1 10 . 1 1 64 64 ILE N N 64 122.885 122.885 124.705 -1.820 18292 5998 1 10 . 1 1 64 64 ILE HA H 64 3.462 3.462 3.779 -0.317 18292 5999 1 10 . 1 1 64 64 ILE C C 64 174.204 174.204 177.467 -3.263 18292 6000 1 10 . 1 1 64 64 ILE CA C 64 62.955 62.955 65.558 -2.603 18292 6001 1 10 . 1 1 64 64 ILE CB C 64 35.297 35.297 37.705 -2.408 18292 6002 1 10 . 1 1 64 64 ILE H H 64 8.786 8.786 9.086 -0.300 18292 6003 1 10 . 1 1 65 65 ALA N N 65 120.653 120.653 122.273 -1.620 18292 6004 1 10 . 1 1 65 65 ALA HA H 65 3.890 3.890 4.036 -0.146 18292 6005 1 10 . 1 1 65 65 ALA C C 65 177.926 177.926 179.387 -1.461 18292 6006 1 10 . 1 1 65 65 ALA CA C 65 52.772 52.772 55.284 -2.512 18292 6007 1 10 . 1 1 65 65 ALA CB C 65 15.552 15.552 17.661 -2.109 18292 6008 1 10 . 1 1 65 65 ALA H H 65 8.287 8.287 8.416 -0.129 18292 6009 1 10 . 1 1 66 66 ALA N N 66 119.802 119.802 120.707 -0.905 18292 6010 1 10 . 1 1 66 66 ALA HA H 66 4.344 4.344 3.979 0.365 18292 6011 1 10 . 1 1 66 66 ALA C C 66 176.063 176.063 179.196 -3.133 18292 6012 1 10 . 1 1 66 66 ALA CA C 66 52.108 52.108 54.920 -2.812 18292 6013 1 10 . 1 1 66 66 ALA CB C 66 16.106 16.106 18.413 -2.307 18292 6014 1 10 . 1 1 66 66 ALA H H 66 7.952 7.952 7.773 0.179 18292 6015 1 10 . 1 1 67 67 ALA N N 67 121.626 121.626 121.851 -0.225 18292 6016 1 10 . 1 1 67 67 ALA HA H 67 4.398 4.398 4.208 0.190 18292 6017 1 10 . 1 1 67 67 ALA C C 67 175.824 175.824 179.671 -3.847 18292 6018 1 10 . 1 1 67 67 ALA CA C 67 53.135 53.135 54.690 -1.555 18292 6019 1 10 . 1 1 67 67 ALA CB C 67 17.020 17.020 18.536 -1.516 18292 6020 1 10 . 1 1 67 67 ALA H H 67 7.332 7.332 7.332 -0.000 18292 6021 1 10 . 1 1 68 68 ILE N N 68 117.793 117.793 120.053 -2.260 18292 6022 1 10 . 1 1 68 68 ILE HA H 68 4.185 4.185 3.724 0.461 18292 6023 1 10 . 1 1 68 68 ILE C C 68 176.163 176.163 178.251 -2.088 18292 6024 1 10 . 1 1 68 68 ILE CA C 68 61.323 61.323 65.430 -4.107 18292 6025 1 10 . 1 1 68 68 ILE CB C 68 36.657 36.657 37.885 -1.228 18292 6026 1 10 . 1 1 68 68 ILE H H 68 8.655 8.655 8.406 0.249 18292 6027 1 10 . 1 1 69 69 ALA N N 69 119.051 119.051 120.215 -1.164 18292 6028 1 10 . 1 1 69 69 ALA HA H 69 3.836 3.836 3.861 -0.025 18292 6029 1 10 . 1 1 69 69 ALA C C 69 177.325 177.325 178.920 -1.595 18292 6030 1 10 . 1 1 69 69 ALA CA C 69 51.781 51.781 54.609 -2.828 18292 6031 1 10 . 1 1 69 69 ALA CB C 69 15.767 15.767 17.800 -2.033 18292 6032 1 10 . 1 1 69 69 ALA H H 69 7.377 7.377 7.531 -0.154 18292 6033 1 10 . 1 1 70 70 ALA N N 70 121.378 121.378 122.251 -0.873 18292 6034 1 10 . 1 1 70 70 ALA HA H 70 3.544 3.544 3.813 -0.269 18292 6035 1 10 . 1 1 70 70 ALA C C 70 176.012 176.012 178.982 -2.970 18292 6036 1 10 . 1 1 70 70 ALA CA C 70 52.966 52.966 54.567 -1.601 18292 6037 1 10 . 1 1 70 70 ALA CB C 70 16.740 16.740 18.262 -1.522 18292 6038 1 10 . 1 1 70 70 ALA H H 70 7.798 7.798 7.484 0.314 18292 6039 1 10 . 1 1 71 71 VAL N N 71 119.944 119.944 119.015 0.929 18292 6040 1 10 . 1 1 71 71 VAL HA H 71 2.524 2.524 2.830 -0.306 18292 6041 1 10 . 1 1 71 71 VAL C C 71 175.408 175.408 177.763 -2.355 18292 6042 1 10 . 1 1 71 71 VAL CA C 71 64.993 64.993 66.775 -1.782 18292 6043 1 10 . 1 1 71 71 VAL CB C 71 28.184 28.184 30.740 -2.556 18292 6044 1 10 . 1 1 71 71 VAL H H 71 8.662 8.662 7.901 0.761 18292 6045 1 10 . 1 1 72 72 ASN N N 72 114.981 114.981 116.690 -1.709 18292 6046 1 10 . 1 1 72 72 ASN HA H 72 4.244 4.244 4.262 -0.018 18292 6047 1 10 . 1 1 72 72 ASN C C 72 174.490 174.490 176.613 -2.123 18292 6048 1 10 . 1 1 72 72 ASN CA C 72 52.776 52.776 56.159 -3.383 18292 6049 1 10 . 1 1 72 72 ASN CB C 72 35.394 35.394 38.536 -3.142 18292 6050 1 10 . 1 1 72 72 ASN H H 72 8.061 8.061 7.663 0.398 18292 6051 1 10 . 1 1 73 73 ALA N N 73 120.308 120.308 121.416 -1.108 18292 6052 1 10 . 1 1 73 73 ALA HA H 73 4.162 4.162 4.059 0.103 18292 6053 1 10 . 1 1 73 73 ALA C C 73 176.245 176.245 179.044 -2.799 18292 6054 1 10 . 1 1 73 73 ALA CA C 73 51.058 51.058 54.505 -3.447 18292 6055 1 10 . 1 1 73 73 ALA CB C 73 17.457 17.457 19.020 -1.563 18292 6056 1 10 . 1 1 73 73 ALA H H 73 7.230 7.230 7.812 -0.582 18292 6057 1 10 . 1 1 74 74 LEU N N 74 118.156 118.156 116.320 1.836 18292 6058 1 10 . 1 1 74 74 LEU HA H 74 4.021 4.021 4.165 -0.144 18292 6059 1 10 . 1 1 74 74 LEU C C 74 173.863 173.863 177.645 -3.782 18292 6060 1 10 . 1 1 74 74 LEU CA C 74 53.853 53.853 55.810 -1.957 18292 6061 1 10 . 1 1 74 74 LEU CB C 74 41.552 41.552 41.854 -0.302 18292 6062 1 10 . 1 1 74 74 LEU H H 74 7.856 7.856 7.548 0.308 18292 6063 1 10 . 1 1 75 75 HIS N N 75 117.126 117.126 118.722 -1.596 18292 6064 1 10 . 1 1 75 75 HIS HA H 75 3.830 3.830 4.331 -0.501 18292 6065 1 10 . 1 1 75 75 HIS C C 75 174.851 174.851 176.550 -1.699 18292 6066 1 10 . 1 1 75 75 HIS CA C 75 56.621 56.621 58.266 -1.645 18292 6067 1 10 . 1 1 75 75 HIS CB C 75 28.299 28.299 29.739 -1.440 18292 6068 1 10 . 1 1 75 75 HIS H H 75 8.434 8.434 8.173 0.261 18292 6069 1 10 . 1 1 76 76 GLY N N 76 116.761 116.761 116.527 0.234 18292 6070 1 10 . 1 1 76 76 GLY CA C 76 42.221 42.221 44.886 -2.665 18292 6071 1 10 . 1 1 76 76 GLY H H 76 8.418 8.418 8.698 -0.280 18292 6072 1 10 . 1 1 77 77 ARG N N 77 120.430 120.430 121.483 -1.053 18292 6073 1 10 . 1 1 77 77 ARG HA H 77 4.248 4.248 4.373 -0.125 18292 6074 1 10 . 1 1 77 77 ARG C C 77 173.536 173.536 174.960 -1.424 18292 6075 1 10 . 1 1 77 77 ARG CA C 77 53.029 53.029 55.874 -2.845 18292 6076 1 10 . 1 1 77 77 ARG CB C 77 29.058 29.058 31.390 -2.332 18292 6077 1 10 . 1 1 77 77 ARG H H 77 7.385 7.385 7.618 -0.233 18292 6078 1 10 . 1 1 78 78 TRP N N 78 122.989 122.989 124.802 -1.813 18292 6079 1 10 . 1 1 78 78 TRP HA H 78 4.941 4.941 4.893 0.048 18292 6080 1 10 . 1 1 78 78 TRP C C 78 173.888 173.888 176.466 -2.578 18292 6081 1 10 . 1 1 78 78 TRP CA C 78 54.234 54.234 56.871 -2.637 18292 6082 1 10 . 1 1 78 78 TRP CB C 78 26.923 26.923 30.384 -3.461 18292 6083 1 10 . 1 1 78 78 TRP H H 78 8.463 8.463 8.383 0.080 18292 6084 1 10 . 1 1 79 79 PHE N N 79 126.899 126.899 125.385 1.514 18292 6085 1 10 . 1 1 79 79 PHE HA H 79 4.637 4.637 4.618 0.019 18292 6086 1 10 . 1 1 79 79 PHE C C 79 171.696 171.696 177.296 -5.600 18292 6087 1 10 . 1 1 79 79 PHE CA C 79 54.624 54.624 56.696 -2.072 18292 6088 1 10 . 1 1 79 79 PHE CB C 79 39.577 39.577 40.875 -1.298 18292 6089 1 10 . 1 1 79 79 PHE H H 79 9.500 9.500 9.161 0.339 18292 6090 1 10 . 1 1 80 80 ALA N N 80 130.285 130.285 124.463 5.822 18292 6091 1 10 . 1 1 80 80 ALA HA H 80 3.705 3.705 4.244 -0.539 18292 6092 1 10 . 1 1 80 80 ALA C C 80 174.560 174.560 177.224 -2.664 18292 6093 1 10 . 1 1 80 80 ALA CA C 80 49.993 49.993 54.200 -4.207 18292 6094 1 10 . 1 1 80 80 ALA CB C 80 14.479 14.479 18.040 -3.561 18292 6095 1 10 . 1 1 80 80 ALA H H 80 8.840 8.840 8.723 0.117 18292 6096 1 10 . 1 1 81 81 GLY N N 81 102.771 102.771 103.624 -0.853 18292 6097 1 10 . 1 1 81 81 GLY C C 81 171.087 171.087 173.369 -2.282 18292 6098 1 10 . 1 1 81 81 GLY CA C 81 42.891 42.891 45.234 -2.343 18292 6099 1 10 . 1 1 81 81 GLY H H 81 8.268 8.268 8.338 -0.070 18292 6100 1 10 . 1 1 82 82 LYS N N 82 120.307 120.307 118.343 1.964 18292 6101 1 10 . 1 1 82 82 LYS HA H 82 4.469 4.469 4.822 -0.353 18292 6102 1 10 . 1 1 82 82 LYS C C 82 170.688 170.688 173.759 -3.071 18292 6103 1 10 . 1 1 82 82 LYS CA C 82 52.029 52.029 54.909 -2.880 18292 6104 1 10 . 1 1 82 82 LYS CB C 82 32.776 32.776 34.852 -2.076 18292 6105 1 10 . 1 1 82 82 LYS H H 82 7.791 7.791 7.905 -0.114 18292 6106 1 10 . 1 1 83 83 MET N N 83 121.212 121.212 120.390 0.822 18292 6107 1 10 . 1 1 83 83 MET HA H 83 3.871 3.871 3.981 -0.110 18292 6108 1 10 . 1 1 83 83 MET C C 83 173.474 173.474 175.007 -1.533 18292 6109 1 10 . 1 1 83 83 MET CA C 83 51.968 51.968 54.592 -2.624 18292 6110 1 10 . 1 1 83 83 MET CB C 83 30.275 30.275 33.322 -3.047 18292 6111 1 10 . 1 1 83 83 MET H H 83 7.953 7.953 8.189 -0.236 18292 6112 1 10 . 1 1 84 84 ILE N N 84 128.512 128.512 122.786 5.726 18292 6113 1 10 . 1 1 84 84 ILE HA H 84 4.230 4.230 4.424 -0.194 18292 6114 1 10 . 1 1 84 84 ILE C C 84 173.459 173.459 174.312 -0.853 18292 6115 1 10 . 1 1 84 84 ILE CA C 84 58.832 58.832 58.641 0.191 18292 6116 1 10 . 1 1 84 84 ILE CB C 84 36.088 36.088 38.634 -2.546 18292 6117 1 10 . 1 1 84 84 ILE H H 84 8.683 8.683 8.751 -0.068 18292 6118 1 10 . 1 1 85 85 THR N N 85 115.456 115.456 116.120 -0.664 18292 6119 1 10 . 1 1 85 85 THR HA H 85 4.825 4.825 4.792 0.033 18292 6120 1 10 . 1 1 85 85 THR CA C 85 56.520 56.520 60.345 -3.825 18292 6121 1 10 . 1 1 85 85 THR CB C 85 68.803 68.803 71.382 -2.579 18292 6122 1 10 . 1 1 85 85 THR H H 85 7.318 7.318 8.312 -0.994 18292 6123 1 10 . 1 1 86 86 ALA N N 86 128.004 128.004 127.921 0.083 18292 6124 1 10 . 1 1 86 86 ALA HA H 86 5.542 5.542 5.507 0.035 18292 6125 1 10 . 1 1 86 86 ALA C C 86 173.070 173.070 175.446 -2.376 18292 6126 1 10 . 1 1 86 86 ALA CA C 86 47.491 47.491 50.030 -2.539 18292 6127 1 10 . 1 1 86 86 ALA CB C 86 22.241 22.241 21.983 0.258 18292 6128 1 10 . 1 1 86 86 ALA H H 86 10.712 10.712 8.308 2.404 18292 6129 1 10 . 1 1 87 87 ALA N N 87 122.902 122.902 122.784 0.118 18292 6130 1 10 . 1 1 87 87 ALA HA H 87 4.499 4.499 4.826 -0.327 18292 6131 1 10 . 1 1 87 87 ALA C C 87 173.781 173.781 175.004 -1.223 18292 6132 1 10 . 1 1 87 87 ALA CA C 87 47.989 47.989 51.579 -3.590 18292 6133 1 10 . 1 1 87 87 ALA CB C 87 19.981 19.981 21.942 -1.961 18292 6134 1 10 . 1 1 87 87 ALA H H 87 8.413 8.413 8.264 0.149 18292 6135 1 10 . 1 1 88 88 TYR N N 88 120.267 120.267 119.519 0.748 18292 6136 1 10 . 1 1 88 88 TYR HA H 88 4.723 4.723 5.175 -0.452 18292 6137 1 10 . 1 1 88 88 TYR C C 88 173.615 173.615 176.662 -3.047 18292 6138 1 10 . 1 1 88 88 TYR CA C 88 57.556 57.556 58.321 -0.765 18292 6139 1 10 . 1 1 88 88 TYR CB C 88 36.474 36.474 40.080 -3.606 18292 6140 1 10 . 1 1 88 88 TYR H H 88 8.311 8.311 8.751 -0.440 18292 6141 1 10 . 1 1 89 89 VAL N N 89 123.298 123.298 115.946 7.352 18292 6142 1 10 . 1 1 89 89 VAL HA H 89 4.696 4.696 4.718 -0.022 18292 6143 1 10 . 1 1 89 89 VAL CA C 89 55.899 55.899 58.171 -2.272 18292 6144 1 10 . 1 1 89 89 VAL CB C 89 33.445 33.445 33.081 0.364 18292 6145 1 10 . 1 1 89 89 VAL H H 89 8.420 8.420 8.346 0.074 18292 6146 1 10 . 1 1 90 90 PRO HA H 90 4.450 4.450 4.597 -0.147 18292 6147 1 10 . 1 1 90 90 PRO CA C 90 60.310 60.310 63.166 -2.856 18292 6148 1 10 . 1 1 90 90 PRO CB C 90 30.489 30.489 32.006 -1.517 18292 6149 1 10 . 1 1 91 91 LEU N N 91 126.649 126.649 126.770 -0.121 18292 6150 1 10 . 1 1 91 91 LEU HA H 91 3.975 3.975 4.102 -0.127 18292 6151 1 10 . 1 1 91 91 LEU CA C 91 56.691 56.691 59.335 -2.644 18292 6152 1 10 . 1 1 91 91 LEU CB C 91 37.139 37.139 39.734 -2.595 18292 6153 1 10 . 1 1 91 91 LEU H H 91 8.997 8.997 8.904 0.093 18292 6154 1 10 . 1 1 92 92 PRO HA H 92 4.211 4.211 4.344 -0.133 18292 6155 1 10 . 1 1 92 92 PRO C C 92 177.175 177.175 178.888 -1.713 18292 6156 1 10 . 1 1 92 92 PRO CA C 92 63.104 63.104 65.802 -2.698 18292 6157 1 10 . 1 1 92 92 PRO CB C 92 27.973 27.973 31.323 -3.350 18292 6158 1 10 . 1 1 93 93 THR N N 93 112.839 112.839 115.136 -2.297 18292 6159 1 10 . 1 1 93 93 THR HA H 93 3.827 3.827 4.204 -0.377 18292 6160 1 10 . 1 1 93 93 THR C C 93 172.669 172.669 176.385 -3.716 18292 6161 1 10 . 1 1 93 93 THR CA C 93 63.096 63.096 65.919 -2.823 18292 6162 1 10 . 1 1 93 93 THR CB C 93 65.968 65.968 68.824 -2.856 18292 6163 1 10 . 1 1 93 93 THR H H 93 6.528 6.528 7.546 -1.018 18292 6164 1 10 . 1 1 94 94 TYR N N 94 125.195 125.195 123.702 1.493 18292 6165 1 10 . 1 1 94 94 TYR HA H 94 3.515 3.515 4.177 -0.662 18292 6166 1 10 . 1 1 94 94 TYR C C 94 174.953 174.953 177.518 -2.565 18292 6167 1 10 . 1 1 94 94 TYR CA C 94 60.012 60.012 62.774 -2.762 18292 6168 1 10 . 1 1 94 94 TYR CB C 94 37.588 37.588 38.465 -0.877 18292 6169 1 10 . 1 1 94 94 TYR H H 94 8.263 8.263 8.350 -0.087 18292 6170 1 10 . 1 1 95 95 HIS N N 95 114.994 114.994 117.619 -2.625 18292 6171 1 10 . 1 1 95 95 HIS HA H 95 4.187 4.187 4.291 -0.104 18292 6172 1 10 . 1 1 95 95 HIS C C 95 173.780 173.780 177.479 -3.699 18292 6173 1 10 . 1 1 95 95 HIS CA C 95 53.471 53.471 58.512 -5.041 18292 6174 1 10 . 1 1 95 95 HIS CB C 95 26.528 26.528 29.813 -3.285 18292 6175 1 10 . 1 1 95 95 HIS H H 95 8.529 8.529 7.762 0.767 18292 6176 1 10 . 1 1 96 96 ASN N N 96 116.599 116.599 116.142 0.457 18292 6177 1 10 . 1 1 96 96 ASN HA H 96 4.315 4.315 4.522 -0.207 18292 6178 1 10 . 1 1 96 96 ASN C C 96 175.849 175.849 176.738 -0.889 18292 6179 1 10 . 1 1 96 96 ASN CA C 96 52.814 52.814 55.448 -2.634 18292 6180 1 10 . 1 1 96 96 ASN CB C 96 36.453 36.453 38.554 -2.102 18292 6181 1 10 . 1 1 96 96 ASN H H 96 7.343 7.343 8.170 -0.827 18292 6182 1 10 . 1 1 97 97 LEU N N 97 119.316 119.316 118.906 0.410 18292 6183 1 10 . 1 1 97 97 LEU HA H 97 3.406 3.406 3.999 -0.593 18292 6184 1 10 . 1 1 97 97 LEU CA C 97 54.399 54.399 56.763 -2.364 18292 6185 1 10 . 1 1 97 97 LEU CB C 97 39.614 39.614 42.801 -3.188 18292 6186 1 10 . 1 1 97 97 LEU H H 97 7.299 7.299 7.369 -0.070 18292 6187 1 10 . 1 1 98 98 PHE N N 98 113.688 113.688 116.427 -2.739 18292 6188 1 10 . 1 1 98 98 PHE HA H 98 4.696 4.696 4.844 -0.148 18292 6189 1 10 . 1 1 98 98 PHE CA C 98 54.399 54.399 54.828 -0.430 18292 6190 1 10 . 1 1 98 98 PHE CB C 98 35.380 35.380 38.549 -3.169 18292 6191 1 10 . 1 1 98 98 PHE H H 98 7.795 7.795 7.968 -0.173 18292 6192 1 10 . 1 1 99 99 PRO HA H 99 4.430 4.430 4.400 0.030 18292 6193 1 10 . 1 1 99 99 PRO C C 99 176.469 176.469 176.712 -0.243 18292 6194 1 10 . 1 1 99 99 PRO CA C 99 63.174 63.174 64.770 -1.597 18292 6195 1 10 . 1 1 99 99 PRO CB C 99 28.822 28.822 31.688 -2.866 18292 6196 1 10 . 1 1 100 100 ASP N N 100 115.482 115.482 118.761 -3.279 18292 6197 1 10 . 1 1 100 100 ASP HA H 100 4.306 4.306 4.470 -0.164 18292 6198 1 10 . 1 1 100 100 ASP C C 100 174.886 174.886 177.987 -3.101 18292 6199 1 10 . 1 1 100 100 ASP CA C 100 53.064 53.064 56.190 -3.126 18292 6200 1 10 . 1 1 100 100 ASP CB C 100 36.736 36.736 40.481 -3.745 18292 6201 1 10 . 1 1 100 100 ASP H H 100 8.897 8.897 8.344 0.553 18292 6202 1 10 . 1 1 101 101 SER N N 101 114.743 114.743 115.872 -1.129 18292 6203 1 10 . 1 1 101 101 SER HA H 101 3.876 3.876 4.154 -0.278 18292 6204 1 10 . 1 1 101 101 SER C C 101 173.539 173.539 176.859 -3.320 18292 6205 1 10 . 1 1 101 101 SER CA C 101 58.183 58.183 61.126 -2.943 18292 6206 1 10 . 1 1 101 101 SER CB C 101 61.403 61.403 62.194 -0.791 18292 6207 1 10 . 1 1 101 101 SER H H 101 8.057 8.057 7.678 0.379 18292 6208 1 10 . 1 1 102 102 MET N N 102 122.103 122.103 119.422 2.681 18292 6209 1 10 . 1 1 102 102 MET HA H 102 3.340 3.340 4.344 -1.004 18292 6210 1 10 . 1 1 102 102 MET C C 102 174.488 174.488 177.006 -2.518 18292 6211 1 10 . 1 1 102 102 MET CA C 102 56.606 56.606 57.553 -0.947 18292 6212 1 10 . 1 1 102 102 MET CB C 102 31.312 31.312 31.680 -0.368 18292 6213 1 10 . 1 1 102 102 MET H H 102 7.319 7.319 7.970 -0.651 18292 6214 1 10 . 1 1 103 103 THR N N 103 104.780 104.780 109.644 -4.864 18292 6215 1 10 . 1 1 103 103 THR HA H 103 4.318 4.318 4.415 -0.097 18292 6216 1 10 . 1 1 103 103 THR C C 103 171.121 171.121 174.579 -3.458 18292 6217 1 10 . 1 1 103 103 THR CA C 103 57.203 57.203 61.119 -3.916 18292 6218 1 10 . 1 1 103 103 THR CB C 103 65.753 65.753 69.312 -3.559 18292 6219 1 10 . 1 1 103 103 THR H H 103 7.216 7.216 7.853 -0.637 18292 6220 1 10 . 1 1 104 104 ALA N N 104 125.795 125.795 125.958 -0.163 18292 6221 1 10 . 1 1 104 104 ALA HA H 104 4.347 4.347 4.371 -0.024 18292 6222 1 10 . 1 1 104 104 ALA C C 104 174.370 174.370 177.320 -2.950 18292 6223 1 10 . 1 1 104 104 ALA CA C 104 50.244 50.244 53.033 -2.789 18292 6224 1 10 . 1 1 104 104 ALA CB C 104 16.077 16.077 19.135 -3.058 18292 6225 1 10 . 1 1 104 104 ALA H H 104 6.605 6.605 7.529 -0.924 18292 6226 1 10 . 1 1 105 105 THR N N 105 111.482 111.482 114.221 -2.739 18292 6227 1 10 . 1 1 105 105 THR HA H 105 4.390 4.390 4.474 -0.084 18292 6228 1 10 . 1 1 105 105 THR C C 105 171.563 171.563 173.964 -2.401 18292 6229 1 10 . 1 1 105 105 THR CA C 105 58.977 58.977 61.080 -2.103 18292 6230 1 10 . 1 1 105 105 THR CB C 105 68.537 68.537 68.913 -0.376 18292 6231 1 10 . 1 1 105 105 THR H H 105 8.698 8.698 8.220 0.478 18292 6232 1 10 . 1 1 106 106 GLN N N 106 123.003 123.003 120.091 2.912 18292 6233 1 10 . 1 1 106 106 GLN HA H 106 4.294 4.294 4.555 -0.261 18292 6234 1 10 . 1 1 106 106 GLN C C 106 172.973 172.973 174.391 -1.418 18292 6235 1 10 . 1 1 106 106 GLN CA C 106 52.710 52.710 54.210 -1.500 18292 6236 1 10 . 1 1 106 106 GLN CB C 106 27.282 27.282 30.210 -2.929 18292 6237 1 10 . 1 1 106 106 GLN H H 106 7.944 7.944 7.826 0.118 18292 6238 1 10 . 1 1 107 107 LEU N N 107 124.765 124.765 126.340 -1.575 18292 6239 1 10 . 1 1 107 107 LEU HA H 107 4.328 4.328 4.437 -0.109 18292 6240 1 10 . 1 1 107 107 LEU C C 107 174.110 174.110 177.295 -3.185 18292 6241 1 10 . 1 1 107 107 LEU CA C 107 52.798 52.798 54.884 -2.086 18292 6242 1 10 . 1 1 107 107 LEU CB C 107 37.829 37.829 42.199 -4.370 18292 6243 1 10 . 1 1 107 107 LEU H H 107 8.390 8.390 8.564 -0.174 18292 6244 1 10 . 1 1 108 108 LEU N N 108 122.332 122.332 127.052 -4.720 18292 6245 1 10 . 1 1 108 108 LEU HA H 108 4.259 4.259 4.323 -0.064 18292 6246 1 10 . 1 1 108 108 LEU C C 108 173.870 173.870 175.774 -1.904 18292 6247 1 10 . 1 1 108 108 LEU CA C 108 52.092 52.092 55.490 -3.398 18292 6248 1 10 . 1 1 108 108 LEU CB C 108 39.253 39.253 42.249 -2.996 18292 6249 1 10 . 1 1 108 108 LEU H H 108 8.480 8.480 8.758 -0.278 18292 6250 1 10 . 1 1 109 109 VAL N N 109 115.421 115.421 115.458 -0.037 18292 6251 1 10 . 1 1 109 109 VAL HA H 109 4.444 4.444 4.545 -0.101 18292 6252 1 10 . 1 1 109 109 VAL CA C 109 55.640 55.640 58.017 -2.377 18292 6253 1 10 . 1 1 109 109 VAL CB C 109 31.153 31.153 32.117 -0.964 18292 6254 1 10 . 1 1 109 109 VAL H H 109 8.007 8.007 7.994 0.013 18292 6255 1 10 . 1 1 110 110 PRO HA H 110 4.361 4.361 4.637 -0.276 18292 6256 1 10 . 1 1 110 110 PRO C C 110 173.778 173.778 176.255 -2.477 18292 6257 1 10 . 1 1 110 110 PRO CA C 110 59.737 59.737 62.362 -2.626 18292 6258 1 10 . 1 1 110 110 PRO CB C 110 29.710 29.710 33.018 -3.308 18292 6259 1 10 . 1 1 111 111 SER N N 111 120.434 120.434 115.561 4.873 18292 6260 1 10 . 1 1 111 111 SER HA H 111 4.139 4.139 4.335 -0.196 18292 6261 1 10 . 1 1 111 111 SER C C 111 172.475 172.475 174.630 -2.155 18292 6262 1 10 . 1 1 111 111 SER CA C 111 57.674 57.674 58.934 -1.260 18292 6263 1 10 . 1 1 111 111 SER CB C 111 60.580 60.580 64.361 -3.781 18292 6264 1 10 . 1 1 111 111 SER H H 111 9.945 9.945 9.198 0.747 18292 6265 1 10 . 1 1 112 112 ARG N N 112 121.013 121.013 120.896 0.117 18292 6266 1 10 . 1 1 112 112 ARG HA H 112 4.253 4.253 4.507 -0.254 18292 6267 1 10 . 1 1 112 112 ARG C C 112 172.216 172.216 174.218 -2.002 18292 6268 1 10 . 1 1 112 112 ARG CA C 112 53.071 53.071 55.752 -2.682 18292 6269 1 10 . 1 1 112 112 ARG CB C 112 27.963 27.963 32.015 -4.052 18292 6270 1 10 . 1 1 112 112 ARG H H 112 7.861 7.861 8.585 -0.724 18292 6271 1 11 . 1 1 2 2 GLN N N 2 125.719 125.719 125.957 -0.238 18292 6272 1 11 . 1 1 2 2 GLN HA H 2 4.571 4.571 4.661 -0.090 18292 6273 1 11 . 1 1 2 2 GLN CA C 2 50.502 50.502 54.652 -4.150 18292 6274 1 11 . 1 1 2 2 GLN CB C 2 26.254 26.254 30.392 -4.138 18292 6275 1 11 . 1 1 2 2 GLN H H 2 8.471 8.471 8.600 -0.129 18292 6276 1 11 . 1 1 3 3 PRO HA H 3 4.311 4.311 4.327 -0.016 18292 6277 1 11 . 1 1 3 3 PRO C C 3 173.634 173.634 175.838 -2.204 18292 6278 1 11 . 1 1 3 3 PRO CA C 3 60.349 60.349 62.892 -2.543 18292 6279 1 11 . 1 1 3 3 PRO CB C 3 29.678 29.678 31.100 -1.422 18292 6280 1 11 . 1 1 4 4 LEU N N 4 122.253 122.253 126.079 -3.826 18292 6281 1 11 . 1 1 4 4 LEU HA H 4 4.133 4.133 4.439 -0.306 18292 6282 1 11 . 1 1 4 4 LEU C C 4 172.946 172.946 175.463 -2.517 18292 6283 1 11 . 1 1 4 4 LEU CA C 4 51.900 51.900 54.224 -2.324 18292 6284 1 11 . 1 1 4 4 LEU CB C 4 39.711 39.711 41.709 -1.998 18292 6285 1 11 . 1 1 4 4 LEU H H 4 7.912 7.912 7.626 0.286 18292 6286 1 11 . 1 1 5 5 ALA N N 5 122.619 122.619 126.825 -4.206 18292 6287 1 11 . 1 1 5 5 ALA HA H 5 2.385 2.385 4.151 -1.766 18292 6288 1 11 . 1 1 5 5 ALA C C 5 174.164 174.164 176.814 -2.650 18292 6289 1 11 . 1 1 5 5 ALA CA C 5 49.205 49.205 52.456 -3.251 18292 6290 1 11 . 1 1 5 5 ALA CB C 5 17.058 17.058 18.606 -1.548 18292 6291 1 11 . 1 1 5 5 ALA H H 5 7.415 7.415 8.356 -0.941 18292 6292 1 11 . 1 1 6 6 THR N N 6 112.768 112.768 114.975 -2.207 18292 6293 1 11 . 1 1 6 6 THR HA H 6 4.393 4.393 4.721 -0.328 18292 6294 1 11 . 1 1 6 6 THR C C 6 168.908 168.908 175.440 -6.532 18292 6295 1 11 . 1 1 6 6 THR CA C 6 56.371 56.371 59.936 -3.565 18292 6296 1 11 . 1 1 6 6 THR CB C 6 68.874 68.874 71.307 -2.433 18292 6297 1 11 . 1 1 6 6 THR H H 6 6.601 6.601 7.759 -1.158 18292 6298 1 11 . 1 1 7 7 GLN N N 7 111.707 111.707 117.124 -5.417 18292 6299 1 11 . 1 1 7 7 GLN HA H 7 4.344 4.344 4.519 -0.175 18292 6300 1 11 . 1 1 7 7 GLN C C 7 171.068 171.068 174.870 -3.802 18292 6301 1 11 . 1 1 7 7 GLN CA C 7 53.795 53.795 56.764 -2.969 18292 6302 1 11 . 1 1 7 7 GLN CB C 7 28.252 28.252 28.339 -0.087 18292 6303 1 11 . 1 1 7 7 GLN H H 7 8.547 8.547 8.831 -0.284 18292 6304 1 11 . 1 1 8 8 CYS N N 8 118.669 118.669 117.747 0.922 18292 6305 1 11 . 1 1 8 8 CYS HA H 8 5.389 5.389 5.144 0.245 18292 6306 1 11 . 1 1 8 8 CYS C C 8 171.026 171.026 172.495 -1.469 18292 6307 1 11 . 1 1 8 8 CYS CA C 8 53.652 53.652 57.327 -3.675 18292 6308 1 11 . 1 1 8 8 CYS CB C 8 29.416 29.416 29.961 -0.545 18292 6309 1 11 . 1 1 8 8 CYS H H 8 8.558 8.558 7.668 0.890 18292 6310 1 11 . 1 1 9 9 PHE N N 9 117.117 117.117 121.684 -4.567 18292 6311 1 11 . 1 1 9 9 PHE HA H 9 5.369 5.369 5.219 0.150 18292 6312 1 11 . 1 1 9 9 PHE C C 9 168.313 168.313 172.614 -4.301 18292 6313 1 11 . 1 1 9 9 PHE CA C 9 53.341 53.341 55.309 -1.968 18292 6314 1 11 . 1 1 9 9 PHE CB C 9 39.008 39.008 41.118 -2.110 18292 6315 1 11 . 1 1 9 9 PHE H H 9 9.533 9.533 8.178 1.355 18292 6316 1 11 . 1 1 10 10 GLN N N 10 118.344 118.344 116.674 1.670 18292 6317 1 11 . 1 1 10 10 GLN HA H 10 5.063 5.063 4.556 0.507 18292 6318 1 11 . 1 1 10 10 GLN C C 10 173.280 173.280 174.232 -0.952 18292 6319 1 11 . 1 1 10 10 GLN CA C 10 50.242 50.242 53.682 -3.440 18292 6320 1 11 . 1 1 10 10 GLN CB C 10 30.263 30.263 31.401 -1.138 18292 6321 1 11 . 1 1 10 10 GLN H H 10 9.299 9.299 8.720 0.579 18292 6322 1 11 . 1 1 11 11 LEU N N 11 128.664 128.664 119.767 8.897 18292 6323 1 11 . 1 1 11 11 LEU HA H 11 5.474 5.474 5.303 0.171 18292 6324 1 11 . 1 1 11 11 LEU C C 11 173.987 173.987 177.313 -3.326 18292 6325 1 11 . 1 1 11 11 LEU CA C 11 50.153 50.153 53.260 -3.107 18292 6326 1 11 . 1 1 11 11 LEU CB C 11 41.779 41.779 45.607 -3.828 18292 6327 1 11 . 1 1 11 11 LEU H H 11 9.679 9.679 8.237 1.442 18292 6328 1 11 . 1 1 12 12 SER N N 12 115.661 115.661 112.402 3.259 18292 6329 1 11 . 1 1 12 12 SER HA H 12 4.877 4.877 4.679 0.198 18292 6330 1 11 . 1 1 12 12 SER C C 12 170.086 170.086 173.435 -3.349 18292 6331 1 11 . 1 1 12 12 SER CA C 12 54.698 54.698 57.710 -3.012 18292 6332 1 11 . 1 1 12 12 SER CB C 12 63.054 63.054 64.541 -1.487 18292 6333 1 11 . 1 1 12 12 SER H H 12 8.717 8.717 8.343 0.374 18292 6334 1 11 . 1 1 13 13 ASN N N 13 114.812 114.812 118.100 -3.288 18292 6335 1 11 . 1 1 13 13 ASN HA H 13 4.165 4.165 4.665 -0.500 18292 6336 1 11 . 1 1 13 13 ASN C C 13 171.867 171.867 173.796 -1.929 18292 6337 1 11 . 1 1 13 13 ASN CA C 13 51.269 51.269 53.062 -1.793 18292 6338 1 11 . 1 1 13 13 ASN CB C 13 34.988 34.988 39.544 -4.556 18292 6339 1 11 . 1 1 13 13 ASN H H 13 8.563 8.563 7.884 0.679 18292 6340 1 11 . 1 1 14 14 MET N N 14 113.100 113.100 117.740 -4.640 18292 6341 1 11 . 1 1 14 14 MET HA H 14 4.258 4.258 4.183 0.075 18292 6342 1 11 . 1 1 14 14 MET C C 14 171.935 171.935 174.474 -2.539 18292 6343 1 11 . 1 1 14 14 MET CA C 14 53.020 53.020 54.528 -1.508 18292 6344 1 11 . 1 1 14 14 MET CB C 14 29.746 29.746 32.993 -3.247 18292 6345 1 11 . 1 1 14 14 MET H H 14 8.261 8.261 7.783 0.478 18292 6346 1 11 . 1 1 15 15 PHE N N 15 108.769 108.769 110.510 -1.741 18292 6347 1 11 . 1 1 15 15 PHE HA H 15 4.485 4.485 4.895 -0.410 18292 6348 1 11 . 1 1 15 15 PHE C C 15 170.024 170.024 172.989 -2.965 18292 6349 1 11 . 1 1 15 15 PHE CA C 15 53.080 53.080 55.686 -2.606 18292 6350 1 11 . 1 1 15 15 PHE CB C 15 36.300 36.300 40.275 -3.975 18292 6351 1 11 . 1 1 15 15 PHE H H 15 6.804 6.804 6.714 0.090 18292 6352 1 11 . 1 1 16 16 ASN N N 16 117.922 117.922 117.253 0.669 18292 6353 1 11 . 1 1 16 16 ASN HA H 16 4.932 4.932 5.223 -0.291 18292 6354 1 11 . 1 1 16 16 ASN CA C 16 47.510 47.510 50.530 -3.020 18292 6355 1 11 . 1 1 16 16 ASN CB C 16 36.512 36.512 39.880 -3.368 18292 6356 1 11 . 1 1 16 16 ASN H H 16 8.681 8.681 8.587 0.094 18292 6357 1 11 . 1 1 17 17 PRO HA H 17 4.102 4.102 4.487 -0.385 18292 6358 1 11 . 1 1 17 17 PRO C C 17 174.773 174.773 176.710 -1.937 18292 6359 1 11 . 1 1 17 17 PRO CA C 17 61.933 61.933 64.922 -2.989 18292 6360 1 11 . 1 1 17 17 PRO CB C 17 29.557 29.557 31.783 -2.226 18292 6361 1 11 . 1 1 18 18 GLN N N 18 116.462 116.462 114.639 1.823 18292 6362 1 11 . 1 1 18 18 GLN HA H 18 4.146 4.146 4.635 -0.489 18292 6363 1 11 . 1 1 18 18 GLN C C 18 174.423 174.423 175.852 -1.429 18292 6364 1 11 . 1 1 18 18 GLN CA C 18 54.067 54.067 54.875 -0.808 18292 6365 1 11 . 1 1 18 18 GLN CB C 18 26.326 26.326 31.372 -5.046 18292 6366 1 11 . 1 1 18 18 GLN H H 18 7.934 7.934 8.395 -0.461 18292 6367 1 11 . 1 1 19 19 THR N N 19 112.362 112.362 113.020 -0.658 18292 6368 1 11 . 1 1 19 19 THR HA H 19 4.176 4.176 4.292 -0.116 18292 6369 1 11 . 1 1 19 19 THR C C 19 171.908 171.908 173.767 -1.859 18292 6370 1 11 . 1 1 19 19 THR CA C 19 59.509 59.509 61.462 -1.953 18292 6371 1 11 . 1 1 19 19 THR CB C 19 66.360 66.360 69.371 -3.011 18292 6372 1 11 . 1 1 19 19 THR H H 19 7.723 7.723 7.721 0.002 18292 6373 1 11 . 1 1 20 20 GLU N N 20 120.326 120.326 120.507 -0.181 18292 6374 1 11 . 1 1 20 20 GLU HA H 20 3.658 3.658 2.788 0.870 18292 6375 1 11 . 1 1 20 20 GLU C C 20 173.311 173.311 174.762 -1.451 18292 6376 1 11 . 1 1 20 20 GLU CA C 20 53.164 53.164 54.770 -1.606 18292 6377 1 11 . 1 1 20 20 GLU CB C 20 25.837 25.837 28.541 -2.704 18292 6378 1 11 . 1 1 20 20 GLU H H 20 7.312 7.312 7.639 -0.327 18292 6379 1 11 . 1 1 21 21 GLU N N 21 120.796 120.796 125.045 -4.249 18292 6380 1 11 . 1 1 21 21 GLU HA H 21 4.162 4.162 4.127 0.035 18292 6381 1 11 . 1 1 21 21 GLU C C 21 173.747 173.747 176.413 -2.666 18292 6382 1 11 . 1 1 21 21 GLU CA C 21 53.873 53.873 55.995 -2.123 18292 6383 1 11 . 1 1 21 21 GLU CB C 21 28.445 28.445 30.926 -2.481 18292 6384 1 11 . 1 1 21 21 GLU H H 21 8.011 8.011 7.913 0.098 18292 6385 1 11 . 1 1 22 22 GLU N N 22 121.370 121.370 119.114 2.256 18292 6386 1 11 . 1 1 22 22 GLU HA H 22 4.393 4.393 4.252 0.141 18292 6387 1 11 . 1 1 22 22 GLU C C 22 173.536 173.536 176.909 -3.373 18292 6388 1 11 . 1 1 22 22 GLU CA C 22 52.982 52.982 56.060 -3.079 18292 6389 1 11 . 1 1 22 22 GLU CB C 22 28.012 28.012 29.882 -1.870 18292 6390 1 11 . 1 1 22 22 GLU H H 22 8.039 8.039 8.313 -0.274 18292 6391 1 11 . 1 1 23 23 VAL N N 23 123.340 123.340 121.620 1.720 18292 6392 1 11 . 1 1 23 23 VAL HA H 23 3.901 3.901 3.874 0.027 18292 6393 1 11 . 1 1 23 23 VAL C C 23 175.077 175.077 175.921 -0.844 18292 6394 1 11 . 1 1 23 23 VAL CA C 23 61.540 61.540 64.350 -2.810 18292 6395 1 11 . 1 1 23 23 VAL CB C 23 29.361 29.361 29.860 -0.499 18292 6396 1 11 . 1 1 23 23 VAL H H 23 8.447 8.447 8.408 0.039 18292 6397 1 11 . 1 1 24 24 GLY N N 24 114.476 114.476 115.588 -1.112 18292 6398 1 11 . 1 1 24 24 GLY C C 24 173.717 173.717 175.298 -1.581 18292 6399 1 11 . 1 1 24 24 GLY CA C 24 42.667 42.667 45.020 -2.353 18292 6400 1 11 . 1 1 24 24 GLY H H 24 9.087 9.087 8.175 0.912 18292 6401 1 11 . 1 1 25 25 TRP N N 25 121.382 121.382 122.487 -1.105 18292 6402 1 11 . 1 1 25 25 TRP HA H 25 4.214 4.214 4.356 -0.142 18292 6403 1 11 . 1 1 25 25 TRP C C 25 174.056 174.056 175.418 -1.362 18292 6404 1 11 . 1 1 25 25 TRP CA C 25 56.093 56.093 57.839 -1.746 18292 6405 1 11 . 1 1 25 25 TRP CB C 25 25.016 25.016 28.338 -3.322 18292 6406 1 11 . 1 1 26 26 ASP N N 26 118.789 118.789 119.490 -0.701 18292 6407 1 11 . 1 1 26 26 ASP HA H 26 3.261 3.261 4.105 -0.844 18292 6408 1 11 . 1 1 26 26 ASP C C 26 174.709 174.709 177.631 -2.922 18292 6409 1 11 . 1 1 26 26 ASP CA C 26 52.705 52.705 56.417 -3.712 18292 6410 1 11 . 1 1 26 26 ASP CB C 26 34.503 34.503 39.696 -5.193 18292 6411 1 11 . 1 1 26 26 ASP H H 26 7.939 7.939 7.837 0.102 18292 6412 1 11 . 1 1 27 27 THR N N 27 118.934 118.934 116.083 2.851 18292 6413 1 11 . 1 1 27 27 THR HA H 27 3.552 3.552 3.907 -0.355 18292 6414 1 11 . 1 1 27 27 THR C C 27 172.390 172.390 176.739 -4.349 18292 6415 1 11 . 1 1 27 27 THR CA C 27 63.307 63.307 67.340 -4.032 18292 6416 1 11 . 1 1 27 27 THR CB C 27 65.331 65.331 68.539 -3.208 18292 6417 1 11 . 1 1 27 27 THR H H 27 7.103 7.103 8.026 -0.923 18292 6418 1 11 . 1 1 28 28 GLU N N 28 120.484 120.484 120.919 -0.435 18292 6419 1 11 . 1 1 28 28 GLU HA H 28 3.978 3.978 4.184 -0.206 18292 6420 1 11 . 1 1 28 28 GLU C C 28 175.447 175.447 178.726 -3.279 18292 6421 1 11 . 1 1 28 28 GLU CA C 28 56.760 56.760 59.726 -2.966 18292 6422 1 11 . 1 1 28 28 GLU CB C 28 26.418 26.418 29.235 -2.817 18292 6423 1 11 . 1 1 28 28 GLU H H 28 7.473 7.473 8.189 -0.716 18292 6424 1 11 . 1 1 29 29 ILE N N 29 116.961 116.961 120.142 -3.181 18292 6425 1 11 . 1 1 29 29 ILE HA H 29 3.773 3.773 3.754 0.019 18292 6426 1 11 . 1 1 29 29 ILE C C 29 174.605 174.605 178.248 -3.643 18292 6427 1 11 . 1 1 29 29 ILE CA C 29 61.243 61.243 65.394 -4.151 18292 6428 1 11 . 1 1 29 29 ILE CB C 29 35.267 35.267 37.772 -2.505 18292 6429 1 11 . 1 1 29 29 ILE H H 29 7.113 7.113 7.619 -0.506 18292 6430 1 11 . 1 1 30 30 LYS N N 30 118.457 118.457 119.821 -1.364 18292 6431 1 11 . 1 1 30 30 LYS HA H 30 3.430 3.430 3.955 -0.525 18292 6432 1 11 . 1 1 30 30 LYS C C 30 174.886 174.886 178.459 -3.573 18292 6433 1 11 . 1 1 30 30 LYS CA C 30 57.872 57.872 59.582 -1.710 18292 6434 1 11 . 1 1 30 30 LYS CB C 30 29.680 29.680 32.180 -2.500 18292 6435 1 11 . 1 1 30 30 LYS H H 30 7.480 7.480 7.959 -0.479 18292 6436 1 11 . 1 1 31 31 ASP N N 31 118.630 118.630 119.831 -1.201 18292 6437 1 11 . 1 1 31 31 ASP HA H 31 4.233 4.233 4.330 -0.097 18292 6438 1 11 . 1 1 31 31 ASP C C 31 175.558 175.558 177.739 -2.181 18292 6439 1 11 . 1 1 31 31 ASP CA C 31 55.137 55.137 57.845 -2.708 18292 6440 1 11 . 1 1 31 31 ASP CB C 31 36.829 36.829 40.645 -3.816 18292 6441 1 11 . 1 1 31 31 ASP H H 31 8.334 8.334 7.980 0.354 18292 6442 1 11 . 1 1 32 32 ASP N N 32 120.576 120.576 119.737 0.839 18292 6443 1 11 . 1 1 32 32 ASP HA H 32 4.277 4.277 4.460 -0.183 18292 6444 1 11 . 1 1 32 32 ASP C C 32 176.966 176.966 178.584 -1.618 18292 6445 1 11 . 1 1 32 32 ASP CA C 32 54.829 54.829 57.810 -2.981 18292 6446 1 11 . 1 1 32 32 ASP CB C 32 37.331 37.331 41.186 -3.855 18292 6447 1 11 . 1 1 32 32 ASP H H 32 8.189 8.189 8.072 0.117 18292 6448 1 11 . 1 1 33 33 VAL N N 33 121.083 121.083 118.569 2.514 18292 6449 1 11 . 1 1 33 33 VAL HA H 33 3.444 3.444 3.907 -0.463 18292 6450 1 11 . 1 1 33 33 VAL C C 33 175.529 175.529 178.071 -2.542 18292 6451 1 11 . 1 1 33 33 VAL CA C 33 64.511 64.511 64.800 -0.289 18292 6452 1 11 . 1 1 33 33 VAL CB C 33 28.920 28.920 31.361 -2.442 18292 6453 1 11 . 1 1 33 33 VAL H H 33 8.069 8.069 7.510 0.559 18292 6454 1 11 . 1 1 34 34 ILE N N 34 122.145 122.145 122.172 -0.027 18292 6455 1 11 . 1 1 34 34 ILE HA H 34 3.272 3.272 3.591 -0.319 18292 6456 1 11 . 1 1 34 34 ILE C C 34 174.723 174.723 177.751 -3.028 18292 6457 1 11 . 1 1 34 34 ILE CA C 34 63.723 63.723 66.283 -2.560 18292 6458 1 11 . 1 1 34 34 ILE CB C 34 35.949 35.949 37.644 -1.695 18292 6459 1 11 . 1 1 34 34 ILE H H 34 8.887 8.887 7.750 1.137 18292 6460 1 11 . 1 1 35 35 GLU N N 35 117.927 117.927 118.990 -1.063 18292 6461 1 11 . 1 1 35 35 GLU HA H 35 3.830 3.830 3.940 -0.110 18292 6462 1 11 . 1 1 35 35 GLU C C 35 176.747 176.747 179.343 -2.596 18292 6463 1 11 . 1 1 35 35 GLU CA C 35 57.183 57.183 59.931 -2.748 18292 6464 1 11 . 1 1 35 35 GLU CB C 35 26.969 26.969 29.143 -2.174 18292 6465 1 11 . 1 1 35 35 GLU H H 35 8.565 8.565 8.019 0.546 18292 6466 1 11 . 1 1 36 36 GLU N N 36 117.299 117.299 119.168 -1.869 18292 6467 1 11 . 1 1 36 36 GLU HA H 36 4.012 4.012 4.153 -0.141 18292 6468 1 11 . 1 1 36 36 GLU C C 36 176.604 176.604 179.582 -2.978 18292 6469 1 11 . 1 1 36 36 GLU CA C 36 56.357 56.357 59.494 -3.137 18292 6470 1 11 . 1 1 36 36 GLU CB C 36 26.612 26.612 29.718 -3.106 18292 6471 1 11 . 1 1 36 36 GLU H H 36 7.523 7.523 7.730 -0.207 18292 6472 1 11 . 1 1 37 37 CYS N N 37 116.308 116.308 118.576 -2.268 18292 6473 1 11 . 1 1 37 37 CYS HA H 37 4.141 4.141 4.345 -0.204 18292 6474 1 11 . 1 1 37 37 CYS C C 37 175.888 175.888 176.219 -0.331 18292 6475 1 11 . 1 1 37 37 CYS CA C 37 61.915 61.915 63.125 -1.210 18292 6476 1 11 . 1 1 37 37 CYS CB C 37 24.513 24.513 26.776 -2.263 18292 6477 1 11 . 1 1 37 37 CYS H H 37 8.754 8.754 8.322 0.432 18292 6478 1 11 . 1 1 38 38 ASN N N 38 121.598 121.598 117.566 4.032 18292 6479 1 11 . 1 1 38 38 ASN HA H 38 4.452 4.452 4.626 -0.174 18292 6480 1 11 . 1 1 38 38 ASN C C 38 174.340 174.340 176.505 -2.165 18292 6481 1 11 . 1 1 38 38 ASN CA C 38 52.249 52.249 55.346 -3.097 18292 6482 1 11 . 1 1 38 38 ASN CB C 38 34.488 34.488 38.163 -3.675 18292 6483 1 11 . 1 1 38 38 ASN H H 38 8.800 8.800 8.480 0.320 18292 6484 1 11 . 1 1 39 39 LYS N N 39 119.297 119.297 117.558 1.739 18292 6485 1 11 . 1 1 39 39 LYS HA H 39 4.002 4.002 4.071 -0.069 18292 6486 1 11 . 1 1 39 39 LYS C C 39 174.388 174.388 176.797 -2.409 18292 6487 1 11 . 1 1 39 39 LYS CA C 39 55.239 55.239 57.309 -2.070 18292 6488 1 11 . 1 1 39 39 LYS CB C 39 29.477 29.477 32.158 -2.681 18292 6489 1 11 . 1 1 39 39 LYS H H 39 7.427 7.427 7.548 -0.121 18292 6490 1 11 . 1 1 40 40 HIS N N 40 114.421 114.421 114.754 -0.333 18292 6491 1 11 . 1 1 40 40 HIS HA H 40 4.896 4.896 4.760 0.136 18292 6492 1 11 . 1 1 40 40 HIS C C 40 171.895 171.895 176.113 -4.218 18292 6493 1 11 . 1 1 40 40 HIS CA C 40 51.758 51.758 57.078 -5.320 18292 6494 1 11 . 1 1 40 40 HIS CB C 40 28.775 28.775 32.895 -4.120 18292 6495 1 11 . 1 1 40 40 HIS H H 40 7.453 7.453 7.883 -0.430 18292 6496 1 11 . 1 1 41 41 GLY N N 41 106.587 106.587 105.868 0.719 18292 6497 1 11 . 1 1 41 41 GLY C C 41 171.376 171.376 174.156 -2.780 18292 6498 1 11 . 1 1 41 41 GLY CA C 41 42.388 42.388 45.422 -3.034 18292 6499 1 11 . 1 1 41 41 GLY H H 41 7.599 7.599 8.479 -0.880 18292 6500 1 11 . 1 1 42 42 GLY N N 42 107.066 107.066 109.304 -2.238 18292 6501 1 11 . 1 1 42 42 GLY C C 42 169.120 169.120 172.429 -3.309 18292 6502 1 11 . 1 1 42 42 GLY CA C 42 41.518 41.518 44.957 -3.439 18292 6503 1 11 . 1 1 42 42 GLY H H 42 7.942 7.942 8.132 -0.190 18292 6504 1 11 . 1 1 43 43 VAL N N 43 114.640 114.640 118.521 -3.881 18292 6505 1 11 . 1 1 43 43 VAL HA H 43 4.527 4.527 4.520 0.007 18292 6506 1 11 . 1 1 43 43 VAL C C 43 169.861 169.861 174.666 -4.805 18292 6507 1 11 . 1 1 43 43 VAL CA C 43 58.404 58.404 59.508 -1.104 18292 6508 1 11 . 1 1 43 43 VAL CB C 43 31.692 31.692 34.453 -2.761 18292 6509 1 11 . 1 1 43 43 VAL H H 43 8.679 8.679 8.367 0.312 18292 6510 1 11 . 1 1 44 44 ILE N N 44 115.792 115.792 122.551 -6.759 18292 6511 1 11 . 1 1 44 44 ILE HA H 44 4.918 4.918 4.957 -0.039 18292 6512 1 11 . 1 1 44 44 ILE C C 44 172.246 172.246 174.598 -2.352 18292 6513 1 11 . 1 1 44 44 ILE CA C 44 57.770 57.770 60.583 -2.813 18292 6514 1 11 . 1 1 44 44 ILE CB C 44 37.197 37.197 39.624 -2.427 18292 6515 1 11 . 1 1 44 44 ILE H H 44 8.587 8.587 8.621 -0.034 18292 6516 1 11 . 1 1 45 45 HIS N N 45 122.684 122.684 116.421 6.263 18292 6517 1 11 . 1 1 45 45 HIS HA H 45 4.426 4.426 4.895 -0.469 18292 6518 1 11 . 1 1 45 45 HIS C C 45 168.452 168.452 172.815 -4.363 18292 6519 1 11 . 1 1 45 45 HIS CA C 45 55.548 55.548 56.288 -0.740 18292 6520 1 11 . 1 1 45 45 HIS CB C 45 31.632 31.632 34.242 -2.610 18292 6521 1 11 . 1 1 45 45 HIS H H 45 7.791 7.791 7.676 0.115 18292 6522 1 11 . 1 1 46 46 ILE N N 46 123.917 123.917 123.457 0.460 18292 6523 1 11 . 1 1 46 46 ILE HA H 46 5.120 5.120 4.788 0.332 18292 6524 1 11 . 1 1 46 46 ILE C C 46 170.171 170.171 173.639 -3.468 18292 6525 1 11 . 1 1 46 46 ILE CA C 46 56.063 56.063 60.000 -3.937 18292 6526 1 11 . 1 1 46 46 ILE CB C 46 39.753 39.753 42.638 -2.885 18292 6527 1 11 . 1 1 46 46 ILE H H 46 7.391 7.391 8.461 -1.070 18292 6528 1 11 . 1 1 47 47 TYR N N 47 125.750 125.750 128.039 -2.289 18292 6529 1 11 . 1 1 47 47 TYR HA H 47 4.370 4.370 4.762 -0.392 18292 6530 1 11 . 1 1 47 47 TYR C C 47 171.029 171.029 173.267 -2.238 18292 6531 1 11 . 1 1 47 47 TYR CA C 47 54.800 54.800 57.342 -2.542 18292 6532 1 11 . 1 1 47 47 TYR CB C 47 39.851 39.851 41.379 -1.528 18292 6533 1 11 . 1 1 47 47 TYR H H 47 9.055 9.055 9.076 -0.021 18292 6534 1 11 . 1 1 48 48 VAL N N 48 129.720 129.720 129.149 0.571 18292 6535 1 11 . 1 1 48 48 VAL HA H 48 3.869 3.869 3.854 0.015 18292 6536 1 11 . 1 1 48 48 VAL C C 48 170.949 170.949 174.177 -3.228 18292 6537 1 11 . 1 1 48 48 VAL CA C 48 59.328 59.328 61.608 -2.280 18292 6538 1 11 . 1 1 48 48 VAL CB C 48 29.022 29.022 31.540 -2.518 18292 6539 1 11 . 1 1 48 48 VAL H H 48 8.290 8.290 8.343 -0.053 18292 6540 1 11 . 1 1 49 49 ASP N N 49 125.287 125.287 126.441 -1.154 18292 6541 1 11 . 1 1 49 49 ASP HA H 49 4.703 4.703 4.104 0.599 18292 6542 1 11 . 1 1 49 49 ASP C C 49 173.851 173.851 176.278 -2.427 18292 6543 1 11 . 1 1 49 49 ASP CA C 49 50.349 50.349 53.954 -3.605 18292 6544 1 11 . 1 1 49 49 ASP CB C 49 38.139 38.139 42.289 -4.150 18292 6545 1 11 . 1 1 49 49 ASP H H 49 8.274 8.274 7.881 0.393 18292 6546 1 11 . 1 1 50 50 LYS N N 50 125.099 125.099 122.376 2.723 18292 6547 1 11 . 1 1 50 50 LYS HA H 50 4.096 4.096 4.012 0.084 18292 6548 1 11 . 1 1 50 50 LYS C C 50 173.120 173.120 177.211 -4.091 18292 6549 1 11 . 1 1 50 50 LYS CA C 50 56.284 56.284 57.132 -0.848 18292 6550 1 11 . 1 1 50 50 LYS CB C 50 29.763 29.763 33.381 -3.618 18292 6551 1 11 . 1 1 50 50 LYS H H 50 8.090 8.090 8.563 -0.473 18292 6552 1 11 . 1 1 51 51 ASN N N 51 114.422 114.422 120.448 -6.026 18292 6553 1 11 . 1 1 51 51 ASN HA H 51 4.931 4.931 4.880 0.051 18292 6554 1 11 . 1 1 51 51 ASN C C 51 172.685 172.685 174.687 -2.002 18292 6555 1 11 . 1 1 51 51 ASN CA C 51 50.744 50.744 53.031 -2.287 18292 6556 1 11 . 1 1 51 51 ASN CB C 51 37.036 37.036 37.586 -0.550 18292 6557 1 11 . 1 1 51 51 ASN H H 51 8.272 8.272 8.332 -0.060 18292 6558 1 11 . 1 1 52 52 SER N N 52 115.013 115.013 116.762 -1.749 18292 6559 1 11 . 1 1 52 52 SER HA H 52 4.410 4.410 4.705 -0.295 18292 6560 1 11 . 1 1 52 52 SER C C 52 172.628 172.628 173.951 -1.323 18292 6561 1 11 . 1 1 52 52 SER CA C 52 55.035 55.035 57.554 -2.519 18292 6562 1 11 . 1 1 52 52 SER CB C 52 61.604 61.604 65.503 -3.899 18292 6563 1 11 . 1 1 52 52 SER H H 52 7.920 7.920 8.058 -0.138 18292 6564 1 11 . 1 1 53 53 ALA N N 53 129.163 129.163 125.804 3.359 18292 6565 1 11 . 1 1 53 53 ALA HA H 53 4.088 4.088 4.619 -0.531 18292 6566 1 11 . 1 1 53 53 ALA C C 53 175.951 175.951 178.132 -2.181 18292 6567 1 11 . 1 1 53 53 ALA CA C 53 51.409 51.409 53.054 -1.645 18292 6568 1 11 . 1 1 53 53 ALA CB C 53 15.878 15.878 20.420 -4.542 18292 6569 1 11 . 1 1 53 53 ALA H H 53 8.837 8.837 8.892 -0.055 18292 6570 1 11 . 1 1 54 54 GLN N N 54 113.081 113.081 118.269 -5.188 18292 6571 1 11 . 1 1 54 54 GLN HA H 54 4.202 4.202 4.453 -0.251 18292 6572 1 11 . 1 1 54 54 GLN C C 54 173.388 173.388 175.078 -1.690 18292 6573 1 11 . 1 1 54 54 GLN CA C 54 52.993 52.993 54.167 -1.174 18292 6574 1 11 . 1 1 54 54 GLN CB C 54 26.360 26.360 29.257 -2.897 18292 6575 1 11 . 1 1 54 54 GLN H H 54 7.836 7.836 7.834 0.002 18292 6576 1 11 . 1 1 55 55 GLY N N 55 108.967 108.967 107.384 1.583 18292 6577 1 11 . 1 1 55 55 GLY CA C 55 45.087 45.087 45.020 0.067 18292 6578 1 11 . 1 1 55 55 GLY H H 55 7.191 7.191 8.545 -1.354 18292 6579 1 11 . 1 1 56 56 ASN N N 56 114.505 114.505 117.932 -3.427 18292 6580 1 11 . 1 1 56 56 ASN HA H 56 5.520 5.520 5.264 0.256 18292 6581 1 11 . 1 1 56 56 ASN C C 56 172.166 172.166 174.978 -2.812 18292 6582 1 11 . 1 1 56 56 ASN CA C 56 50.462 50.462 53.901 -3.439 18292 6583 1 11 . 1 1 56 56 ASN CB C 56 38.400 38.400 40.258 -1.858 18292 6584 1 11 . 1 1 56 56 ASN H H 56 7.614 7.614 8.083 -0.469 18292 6585 1 11 . 1 1 57 57 VAL N N 57 119.859 119.859 118.840 1.019 18292 6586 1 11 . 1 1 57 57 VAL HA H 57 4.692 4.692 4.530 0.162 18292 6587 1 11 . 1 1 57 57 VAL C C 57 170.667 170.667 174.524 -3.857 18292 6588 1 11 . 1 1 57 57 VAL CA C 57 58.163 58.163 60.137 -1.974 18292 6589 1 11 . 1 1 57 57 VAL CB C 57 33.663 33.663 35.546 -1.883 18292 6590 1 11 . 1 1 57 57 VAL H H 57 8.354 8.354 7.723 0.631 18292 6591 1 11 . 1 1 58 58 TYR N N 58 128.478 128.478 119.680 8.798 18292 6592 1 11 . 1 1 58 58 TYR HA H 58 4.937 4.937 4.805 0.132 18292 6593 1 11 . 1 1 58 58 TYR C C 58 170.605 170.605 173.804 -3.199 18292 6594 1 11 . 1 1 58 58 TYR CA C 58 55.354 55.354 57.439 -2.085 18292 6595 1 11 . 1 1 58 58 TYR CB C 58 37.775 37.775 42.053 -4.278 18292 6596 1 11 . 1 1 58 58 TYR H H 58 9.275 9.275 8.675 0.600 18292 6597 1 11 . 1 1 59 59 VAL N N 59 123.117 123.117 120.103 3.014 18292 6598 1 11 . 1 1 59 59 VAL HA H 59 4.462 4.462 4.589 -0.127 18292 6599 1 11 . 1 1 59 59 VAL C C 59 170.875 170.875 172.854 -1.979 18292 6600 1 11 . 1 1 59 59 VAL CA C 59 58.527 58.527 59.832 -1.305 18292 6601 1 11 . 1 1 59 59 VAL CB C 59 32.611 32.611 35.305 -2.694 18292 6602 1 11 . 1 1 59 59 VAL H H 59 8.860 8.860 8.698 0.162 18292 6603 1 11 . 1 1 60 60 LYS N N 60 123.266 123.266 125.862 -2.596 18292 6604 1 11 . 1 1 60 60 LYS HA H 60 4.745 4.745 5.065 -0.320 18292 6605 1 11 . 1 1 60 60 LYS C C 60 173.399 173.399 175.431 -2.032 18292 6606 1 11 . 1 1 60 60 LYS CA C 60 52.207 52.207 54.833 -2.626 18292 6607 1 11 . 1 1 60 60 LYS CB C 60 34.244 34.244 36.233 -1.989 18292 6608 1 11 . 1 1 60 60 LYS H H 60 8.668 8.668 8.779 -0.111 18292 6609 1 11 . 1 1 61 61 CYS N N 61 125.267 125.267 126.718 -1.451 18292 6610 1 11 . 1 1 61 61 CYS HA H 61 4.740 4.740 4.921 -0.181 18292 6611 1 11 . 1 1 61 61 CYS CA C 61 56.393 56.393 56.650 -0.257 18292 6612 1 11 . 1 1 61 61 CYS CB C 61 27.416 27.416 27.452 -0.036 18292 6613 1 11 . 1 1 61 61 CYS H H 61 9.207 9.207 9.145 0.062 18292 6614 1 11 . 1 1 62 62 PRO HA H 62 4.266 4.266 4.424 -0.158 18292 6615 1 11 . 1 1 62 62 PRO C C 62 171.443 171.443 176.294 -4.851 18292 6616 1 11 . 1 1 62 62 PRO CA C 62 61.167 61.167 64.490 -3.323 18292 6617 1 11 . 1 1 62 62 PRO CB C 62 29.450 29.450 32.451 -3.001 18292 6618 1 11 . 1 1 63 63 SER N N 63 108.558 108.558 111.811 -3.253 18292 6619 1 11 . 1 1 63 63 SER HA H 63 4.606 4.606 4.758 -0.152 18292 6620 1 11 . 1 1 63 63 SER C C 63 171.147 171.147 174.548 -3.401 18292 6621 1 11 . 1 1 63 63 SER CA C 63 53.259 53.259 56.373 -3.114 18292 6622 1 11 . 1 1 63 63 SER CB C 63 63.378 63.378 66.899 -3.521 18292 6623 1 11 . 1 1 63 63 SER H H 63 6.990 6.990 7.871 -0.881 18292 6624 1 11 . 1 1 64 64 ILE N N 64 122.885 122.885 123.761 -0.876 18292 6625 1 11 . 1 1 64 64 ILE HA H 64 3.462 3.462 3.861 -0.399 18292 6626 1 11 . 1 1 64 64 ILE C C 64 174.204 174.204 177.401 -3.197 18292 6627 1 11 . 1 1 64 64 ILE CA C 64 62.955 62.955 64.941 -1.986 18292 6628 1 11 . 1 1 64 64 ILE CB C 64 35.297 35.297 37.799 -2.502 18292 6629 1 11 . 1 1 64 64 ILE H H 64 8.786 8.786 8.954 -0.168 18292 6630 1 11 . 1 1 65 65 ALA N N 65 120.653 120.653 123.355 -2.702 18292 6631 1 11 . 1 1 65 65 ALA HA H 65 3.890 3.890 4.036 -0.146 18292 6632 1 11 . 1 1 65 65 ALA C C 65 177.926 177.926 179.422 -1.496 18292 6633 1 11 . 1 1 65 65 ALA CA C 65 52.772 52.772 55.428 -2.656 18292 6634 1 11 . 1 1 65 65 ALA CB C 65 15.552 15.552 17.719 -2.167 18292 6635 1 11 . 1 1 65 65 ALA H H 65 8.287 8.287 8.285 0.002 18292 6636 1 11 . 1 1 66 66 ALA N N 66 119.802 119.802 121.399 -1.597 18292 6637 1 11 . 1 1 66 66 ALA HA H 66 4.344 4.344 3.966 0.378 18292 6638 1 11 . 1 1 66 66 ALA C C 66 176.063 176.063 179.260 -3.197 18292 6639 1 11 . 1 1 66 66 ALA CA C 66 52.108 52.108 54.923 -2.815 18292 6640 1 11 . 1 1 66 66 ALA CB C 66 16.106 16.106 18.194 -2.088 18292 6641 1 11 . 1 1 66 66 ALA H H 66 7.952 7.952 8.170 -0.218 18292 6642 1 11 . 1 1 67 67 ALA N N 67 121.626 121.626 122.338 -0.712 18292 6643 1 11 . 1 1 67 67 ALA HA H 67 4.398 4.398 4.054 0.344 18292 6644 1 11 . 1 1 67 67 ALA C C 67 175.824 175.824 179.590 -3.766 18292 6645 1 11 . 1 1 67 67 ALA CA C 67 53.135 53.135 54.782 -1.647 18292 6646 1 11 . 1 1 67 67 ALA CB C 67 17.020 17.020 18.437 -1.417 18292 6647 1 11 . 1 1 67 67 ALA H H 67 7.332 7.332 7.359 -0.027 18292 6648 1 11 . 1 1 68 68 ILE N N 68 117.793 117.793 119.928 -2.135 18292 6649 1 11 . 1 1 68 68 ILE HA H 68 4.185 4.185 3.722 0.463 18292 6650 1 11 . 1 1 68 68 ILE C C 68 176.163 176.163 178.180 -2.017 18292 6651 1 11 . 1 1 68 68 ILE CA C 68 61.323 61.323 65.289 -3.966 18292 6652 1 11 . 1 1 68 68 ILE CB C 68 36.657 36.657 37.764 -1.107 18292 6653 1 11 . 1 1 68 68 ILE H H 68 8.655 8.655 8.524 0.131 18292 6654 1 11 . 1 1 69 69 ALA N N 69 119.051 119.051 120.750 -1.699 18292 6655 1 11 . 1 1 69 69 ALA HA H 69 3.836 3.836 3.859 -0.023 18292 6656 1 11 . 1 1 69 69 ALA C C 69 177.325 177.325 179.025 -1.700 18292 6657 1 11 . 1 1 69 69 ALA CA C 69 51.781 51.781 54.865 -3.084 18292 6658 1 11 . 1 1 69 69 ALA CB C 69 15.767 15.767 17.944 -2.177 18292 6659 1 11 . 1 1 69 69 ALA H H 69 7.377 7.377 8.027 -0.650 18292 6660 1 11 . 1 1 70 70 ALA N N 70 121.378 121.378 121.692 -0.314 18292 6661 1 11 . 1 1 70 70 ALA HA H 70 3.544 3.544 3.595 -0.051 18292 6662 1 11 . 1 1 70 70 ALA C C 70 176.012 176.012 179.210 -3.198 18292 6663 1 11 . 1 1 70 70 ALA CA C 70 52.966 52.966 54.354 -1.388 18292 6664 1 11 . 1 1 70 70 ALA CB C 70 16.740 16.740 18.382 -1.642 18292 6665 1 11 . 1 1 70 70 ALA H H 70 7.798 7.798 7.780 0.018 18292 6666 1 11 . 1 1 71 71 VAL N N 71 119.944 119.944 118.825 1.119 18292 6667 1 11 . 1 1 71 71 VAL HA H 71 2.524 2.524 2.863 -0.339 18292 6668 1 11 . 1 1 71 71 VAL C C 71 175.408 175.408 177.786 -2.378 18292 6669 1 11 . 1 1 71 71 VAL CA C 71 64.993 64.993 66.691 -1.698 18292 6670 1 11 . 1 1 71 71 VAL CB C 71 28.184 28.184 30.655 -2.471 18292 6671 1 11 . 1 1 71 71 VAL H H 71 8.662 8.662 7.816 0.846 18292 6672 1 11 . 1 1 72 72 ASN N N 72 114.981 114.981 117.351 -2.370 18292 6673 1 11 . 1 1 72 72 ASN HA H 72 4.244 4.244 4.298 -0.054 18292 6674 1 11 . 1 1 72 72 ASN C C 72 174.490 174.490 176.317 -1.827 18292 6675 1 11 . 1 1 72 72 ASN CA C 72 52.776 52.776 56.309 -3.533 18292 6676 1 11 . 1 1 72 72 ASN CB C 72 35.394 35.394 38.600 -3.207 18292 6677 1 11 . 1 1 72 72 ASN H H 72 8.061 8.061 8.204 -0.143 18292 6678 1 11 . 1 1 73 73 ALA N N 73 120.308 120.308 121.100 -0.792 18292 6679 1 11 . 1 1 73 73 ALA HA H 73 4.162 4.162 4.155 0.007 18292 6680 1 11 . 1 1 73 73 ALA C C 73 176.245 176.245 179.123 -2.878 18292 6681 1 11 . 1 1 73 73 ALA CA C 73 51.058 51.058 54.319 -3.261 18292 6682 1 11 . 1 1 73 73 ALA CB C 73 17.457 17.457 19.214 -1.757 18292 6683 1 11 . 1 1 73 73 ALA H H 73 7.230 7.230 7.252 -0.022 18292 6684 1 11 . 1 1 74 74 LEU N N 74 118.156 118.156 117.595 0.561 18292 6685 1 11 . 1 1 74 74 LEU HA H 74 4.021 4.021 4.200 -0.179 18292 6686 1 11 . 1 1 74 74 LEU C C 74 173.863 173.863 177.784 -3.921 18292 6687 1 11 . 1 1 74 74 LEU CA C 74 53.853 53.853 56.620 -2.767 18292 6688 1 11 . 1 1 74 74 LEU CB C 74 41.552 41.552 42.254 -0.702 18292 6689 1 11 . 1 1 74 74 LEU H H 74 7.856 7.856 7.930 -0.074 18292 6690 1 11 . 1 1 75 75 HIS N N 75 117.126 117.126 118.556 -1.430 18292 6691 1 11 . 1 1 75 75 HIS HA H 75 3.830 3.830 4.140 -0.310 18292 6692 1 11 . 1 1 75 75 HIS C C 75 174.851 174.851 175.815 -0.964 18292 6693 1 11 . 1 1 75 75 HIS CA C 75 56.621 56.621 58.050 -1.429 18292 6694 1 11 . 1 1 75 75 HIS CB C 75 28.299 28.299 29.190 -0.891 18292 6695 1 11 . 1 1 75 75 HIS H H 75 8.434 8.434 8.217 0.217 18292 6696 1 11 . 1 1 76 76 GLY N N 76 116.761 116.761 116.029 0.732 18292 6697 1 11 . 1 1 76 76 GLY CA C 76 42.221 42.221 44.417 -2.196 18292 6698 1 11 . 1 1 76 76 GLY H H 76 8.418 8.418 8.640 -0.222 18292 6699 1 11 . 1 1 77 77 ARG N N 77 120.430 120.430 121.840 -1.410 18292 6700 1 11 . 1 1 77 77 ARG HA H 77 4.248 4.248 4.291 -0.043 18292 6701 1 11 . 1 1 77 77 ARG C C 77 173.536 173.536 175.300 -1.764 18292 6702 1 11 . 1 1 77 77 ARG CA C 77 53.029 53.029 55.818 -2.789 18292 6703 1 11 . 1 1 77 77 ARG CB C 77 29.058 29.058 31.248 -2.190 18292 6704 1 11 . 1 1 77 77 ARG H H 77 7.385 7.385 7.761 -0.376 18292 6705 1 11 . 1 1 78 78 TRP N N 78 122.989 122.989 126.309 -3.320 18292 6706 1 11 . 1 1 78 78 TRP HA H 78 4.941 4.941 4.897 0.044 18292 6707 1 11 . 1 1 78 78 TRP C C 78 173.888 173.888 176.435 -2.547 18292 6708 1 11 . 1 1 78 78 TRP CA C 78 54.234 54.234 57.135 -2.901 18292 6709 1 11 . 1 1 78 78 TRP CB C 78 26.923 26.923 29.319 -2.396 18292 6710 1 11 . 1 1 78 78 TRP H H 78 8.463 8.463 8.543 -0.080 18292 6711 1 11 . 1 1 79 79 PHE N N 79 126.899 126.899 125.687 1.212 18292 6712 1 11 . 1 1 79 79 PHE HA H 79 4.637 4.637 4.575 0.062 18292 6713 1 11 . 1 1 79 79 PHE C C 79 171.696 171.696 176.590 -4.894 18292 6714 1 11 . 1 1 79 79 PHE CA C 79 54.624 54.624 58.154 -3.530 18292 6715 1 11 . 1 1 79 79 PHE CB C 79 39.577 39.577 41.096 -1.519 18292 6716 1 11 . 1 1 79 79 PHE H H 79 9.500 9.500 8.923 0.577 18292 6717 1 11 . 1 1 80 80 ALA N N 80 130.285 130.285 123.932 6.353 18292 6718 1 11 . 1 1 80 80 ALA HA H 80 3.705 3.705 4.179 -0.474 18292 6719 1 11 . 1 1 80 80 ALA C C 80 174.560 174.560 176.778 -2.218 18292 6720 1 11 . 1 1 80 80 ALA CA C 80 49.993 49.993 52.485 -2.492 18292 6721 1 11 . 1 1 80 80 ALA CB C 80 14.479 14.479 16.765 -2.286 18292 6722 1 11 . 1 1 80 80 ALA H H 80 8.840 8.840 8.287 0.553 18292 6723 1 11 . 1 1 81 81 GLY N N 81 102.771 102.771 109.258 -6.487 18292 6724 1 11 . 1 1 81 81 GLY C C 81 171.087 171.087 173.569 -2.482 18292 6725 1 11 . 1 1 81 81 GLY CA C 81 42.891 42.891 45.170 -2.279 18292 6726 1 11 . 1 1 81 81 GLY H H 81 8.268 8.268 8.407 -0.139 18292 6727 1 11 . 1 1 82 82 LYS N N 82 120.307 120.307 116.864 3.443 18292 6728 1 11 . 1 1 82 82 LYS HA H 82 4.469 4.469 4.604 -0.135 18292 6729 1 11 . 1 1 82 82 LYS C C 82 170.688 170.688 173.966 -3.278 18292 6730 1 11 . 1 1 82 82 LYS CA C 82 52.029 52.029 54.635 -2.606 18292 6731 1 11 . 1 1 82 82 LYS CB C 82 32.776 32.776 34.260 -1.484 18292 6732 1 11 . 1 1 82 82 LYS H H 82 7.791 7.791 7.876 -0.085 18292 6733 1 11 . 1 1 83 83 MET N N 83 121.212 121.212 121.666 -0.454 18292 6734 1 11 . 1 1 83 83 MET HA H 83 3.871 3.871 4.083 -0.212 18292 6735 1 11 . 1 1 83 83 MET C C 83 173.474 173.474 175.259 -1.785 18292 6736 1 11 . 1 1 83 83 MET CA C 83 51.968 51.968 54.440 -2.471 18292 6737 1 11 . 1 1 83 83 MET CB C 83 30.275 30.275 32.870 -2.595 18292 6738 1 11 . 1 1 83 83 MET H H 83 7.953 7.953 8.538 -0.585 18292 6739 1 11 . 1 1 84 84 ILE N N 84 128.512 128.512 128.469 0.043 18292 6740 1 11 . 1 1 84 84 ILE HA H 84 4.230 4.230 3.968 0.262 18292 6741 1 11 . 1 1 84 84 ILE C C 84 173.459 173.459 175.104 -1.645 18292 6742 1 11 . 1 1 84 84 ILE CA C 84 58.832 58.832 60.502 -1.670 18292 6743 1 11 . 1 1 84 84 ILE CB C 84 36.088 36.088 37.032 -0.944 18292 6744 1 11 . 1 1 84 84 ILE H H 84 8.683 8.683 8.997 -0.314 18292 6745 1 11 . 1 1 85 85 THR N N 85 115.456 115.456 117.932 -2.476 18292 6746 1 11 . 1 1 85 85 THR HA H 85 4.825 4.825 3.991 0.834 18292 6747 1 11 . 1 1 85 85 THR CA C 85 56.520 56.520 59.774 -3.254 18292 6748 1 11 . 1 1 85 85 THR CB C 85 68.803 68.803 71.305 -2.502 18292 6749 1 11 . 1 1 85 85 THR H H 85 7.318 7.318 8.020 -0.702 18292 6750 1 11 . 1 1 86 86 ALA N N 86 128.004 128.004 123.926 4.078 18292 6751 1 11 . 1 1 86 86 ALA HA H 86 5.542 5.542 5.273 0.269 18292 6752 1 11 . 1 1 86 86 ALA C C 86 173.070 173.070 175.438 -2.368 18292 6753 1 11 . 1 1 86 86 ALA CA C 86 47.491 47.491 49.651 -2.160 18292 6754 1 11 . 1 1 86 86 ALA CB C 86 22.241 22.241 22.268 -0.027 18292 6755 1 11 . 1 1 86 86 ALA H H 86 10.712 10.712 8.175 2.537 18292 6756 1 11 . 1 1 87 87 ALA N N 87 122.902 122.902 121.427 1.475 18292 6757 1 11 . 1 1 87 87 ALA HA H 87 4.499 4.499 4.928 -0.429 18292 6758 1 11 . 1 1 87 87 ALA C C 87 173.781 173.781 175.158 -1.377 18292 6759 1 11 . 1 1 87 87 ALA CA C 87 47.989 47.989 52.169 -4.180 18292 6760 1 11 . 1 1 87 87 ALA CB C 87 19.981 19.981 21.521 -1.540 18292 6761 1 11 . 1 1 87 87 ALA H H 87 8.413 8.413 8.336 0.077 18292 6762 1 11 . 1 1 88 88 TYR N N 88 120.267 120.267 121.030 -0.763 18292 6763 1 11 . 1 1 88 88 TYR HA H 88 4.723 4.723 4.856 -0.133 18292 6764 1 11 . 1 1 88 88 TYR C C 88 173.615 173.615 176.218 -2.603 18292 6765 1 11 . 1 1 88 88 TYR CA C 88 57.556 57.556 58.063 -0.507 18292 6766 1 11 . 1 1 88 88 TYR CB C 88 36.474 36.474 39.873 -3.399 18292 6767 1 11 . 1 1 88 88 TYR H H 88 8.311 8.311 8.763 -0.452 18292 6768 1 11 . 1 1 89 89 VAL N N 89 123.298 123.298 121.822 1.476 18292 6769 1 11 . 1 1 89 89 VAL HA H 89 4.696 4.696 4.570 0.126 18292 6770 1 11 . 1 1 89 89 VAL CA C 89 55.899 55.899 59.227 -3.328 18292 6771 1 11 . 1 1 89 89 VAL CB C 89 33.445 33.445 33.564 -0.119 18292 6772 1 11 . 1 1 89 89 VAL H H 89 8.420 8.420 8.600 -0.180 18292 6773 1 11 . 1 1 90 90 PRO HA H 90 4.450 4.450 4.535 -0.085 18292 6774 1 11 . 1 1 90 90 PRO CA C 90 60.310 60.310 62.882 -2.572 18292 6775 1 11 . 1 1 90 90 PRO CB C 90 30.489 30.489 32.329 -1.840 18292 6776 1 11 . 1 1 91 91 LEU N N 91 126.649 126.649 127.016 -0.367 18292 6777 1 11 . 1 1 91 91 LEU HA H 91 3.975 3.975 4.215 -0.240 18292 6778 1 11 . 1 1 91 91 LEU CA C 91 56.691 56.691 59.930 -3.239 18292 6779 1 11 . 1 1 91 91 LEU CB C 91 37.139 37.139 39.868 -2.729 18292 6780 1 11 . 1 1 91 91 LEU H H 91 8.997 8.997 8.835 0.162 18292 6781 1 11 . 1 1 92 92 PRO HA H 92 4.211 4.211 4.416 -0.205 18292 6782 1 11 . 1 1 92 92 PRO C C 92 177.175 177.175 179.125 -1.950 18292 6783 1 11 . 1 1 92 92 PRO CA C 92 63.104 63.104 66.242 -3.138 18292 6784 1 11 . 1 1 92 92 PRO CB C 92 27.973 27.973 31.259 -3.287 18292 6785 1 11 . 1 1 93 93 THR N N 93 112.839 112.839 114.852 -2.013 18292 6786 1 11 . 1 1 93 93 THR HA H 93 3.827 3.827 4.209 -0.382 18292 6787 1 11 . 1 1 93 93 THR C C 93 172.669 172.669 176.425 -3.756 18292 6788 1 11 . 1 1 93 93 THR CA C 93 63.096 63.096 66.224 -3.128 18292 6789 1 11 . 1 1 93 93 THR CB C 93 65.968 65.968 68.774 -2.806 18292 6790 1 11 . 1 1 93 93 THR H H 93 6.528 6.528 7.713 -1.185 18292 6791 1 11 . 1 1 94 94 TYR N N 94 125.195 125.195 124.108 1.087 18292 6792 1 11 . 1 1 94 94 TYR HA H 94 3.515 3.515 4.159 -0.644 18292 6793 1 11 . 1 1 94 94 TYR C C 94 174.953 174.953 177.176 -2.223 18292 6794 1 11 . 1 1 94 94 TYR CA C 94 60.012 60.012 60.098 -0.086 18292 6795 1 11 . 1 1 94 94 TYR CB C 94 37.588 37.588 37.931 -0.343 18292 6796 1 11 . 1 1 94 94 TYR H H 94 8.263 8.263 8.772 -0.509 18292 6797 1 11 . 1 1 95 95 HIS N N 95 114.994 114.994 116.870 -1.876 18292 6798 1 11 . 1 1 95 95 HIS HA H 95 4.187 4.187 4.090 0.097 18292 6799 1 11 . 1 1 95 95 HIS C C 95 173.780 173.780 176.695 -2.915 18292 6800 1 11 . 1 1 95 95 HIS CA C 95 53.471 53.471 59.090 -5.620 18292 6801 1 11 . 1 1 95 95 HIS CB C 95 26.528 26.528 29.562 -3.034 18292 6802 1 11 . 1 1 95 95 HIS H H 95 8.529 8.529 7.901 0.628 18292 6803 1 11 . 1 1 96 96 ASN N N 96 116.599 116.599 115.737 0.862 18292 6804 1 11 . 1 1 96 96 ASN HA H 96 4.315 4.315 4.569 -0.254 18292 6805 1 11 . 1 1 96 96 ASN C C 96 175.849 175.849 175.959 -0.110 18292 6806 1 11 . 1 1 96 96 ASN CA C 96 52.814 52.814 55.163 -2.349 18292 6807 1 11 . 1 1 96 96 ASN CB C 96 36.453 36.453 38.697 -2.244 18292 6808 1 11 . 1 1 96 96 ASN H H 96 7.343 7.343 7.745 -0.402 18292 6809 1 11 . 1 1 97 97 LEU N N 97 119.316 119.316 118.179 1.137 18292 6810 1 11 . 1 1 97 97 LEU HA H 97 3.406 3.406 4.212 -0.806 18292 6811 1 11 . 1 1 97 97 LEU CA C 97 54.399 54.399 56.222 -1.823 18292 6812 1 11 . 1 1 97 97 LEU CB C 97 39.614 39.614 44.065 -4.451 18292 6813 1 11 . 1 1 97 97 LEU H H 97 7.299 7.299 7.499 -0.200 18292 6814 1 11 . 1 1 98 98 PHE N N 98 113.688 113.688 116.900 -3.212 18292 6815 1 11 . 1 1 98 98 PHE HA H 98 4.696 4.696 4.779 -0.083 18292 6816 1 11 . 1 1 98 98 PHE CA C 98 54.399 54.399 55.060 -0.661 18292 6817 1 11 . 1 1 98 98 PHE CB C 98 35.380 35.380 38.808 -3.428 18292 6818 1 11 . 1 1 98 98 PHE H H 98 7.795 7.795 8.215 -0.420 18292 6819 1 11 . 1 1 99 99 PRO HA H 99 4.430 4.430 4.267 0.163 18292 6820 1 11 . 1 1 99 99 PRO C C 99 176.469 176.469 178.403 -1.934 18292 6821 1 11 . 1 1 99 99 PRO CA C 99 63.174 63.174 65.660 -2.486 18292 6822 1 11 . 1 1 99 99 PRO CB C 99 28.822 28.822 32.173 -3.351 18292 6823 1 11 . 1 1 100 100 ASP N N 100 115.482 115.482 119.154 -3.672 18292 6824 1 11 . 1 1 100 100 ASP HA H 100 4.306 4.306 4.340 -0.034 18292 6825 1 11 . 1 1 100 100 ASP C C 100 174.886 174.886 178.471 -3.585 18292 6826 1 11 . 1 1 100 100 ASP CA C 100 53.064 53.064 57.411 -4.347 18292 6827 1 11 . 1 1 100 100 ASP CB C 100 36.736 36.736 39.625 -2.889 18292 6828 1 11 . 1 1 100 100 ASP H H 100 8.897 8.897 8.862 0.035 18292 6829 1 11 . 1 1 101 101 SER N N 101 114.743 114.743 114.267 0.476 18292 6830 1 11 . 1 1 101 101 SER HA H 101 3.876 3.876 4.069 -0.193 18292 6831 1 11 . 1 1 101 101 SER C C 101 173.539 173.539 176.003 -2.464 18292 6832 1 11 . 1 1 101 101 SER CA C 101 58.183 58.183 60.291 -2.108 18292 6833 1 11 . 1 1 101 101 SER CB C 101 61.403 61.403 62.408 -1.005 18292 6834 1 11 . 1 1 101 101 SER H H 101 8.057 8.057 8.237 -0.180 18292 6835 1 11 . 1 1 102 102 MET N N 102 122.103 122.103 118.461 3.642 18292 6836 1 11 . 1 1 102 102 MET HA H 102 3.340 3.340 4.505 -1.165 18292 6837 1 11 . 1 1 102 102 MET C C 102 174.488 174.488 176.854 -2.366 18292 6838 1 11 . 1 1 102 102 MET CA C 102 56.606 56.606 58.180 -1.574 18292 6839 1 11 . 1 1 102 102 MET CB C 102 31.312 31.312 32.636 -1.324 18292 6840 1 11 . 1 1 102 102 MET H H 102 7.319 7.319 8.236 -0.917 18292 6841 1 11 . 1 1 103 103 THR N N 103 104.780 104.780 111.872 -7.092 18292 6842 1 11 . 1 1 103 103 THR HA H 103 4.318 4.318 4.432 -0.114 18292 6843 1 11 . 1 1 103 103 THR C C 103 171.121 171.121 174.637 -3.516 18292 6844 1 11 . 1 1 103 103 THR CA C 103 57.203 57.203 61.342 -4.139 18292 6845 1 11 . 1 1 103 103 THR CB C 103 65.753 65.753 69.742 -3.989 18292 6846 1 11 . 1 1 103 103 THR H H 103 7.216 7.216 7.821 -0.605 18292 6847 1 11 . 1 1 104 104 ALA N N 104 125.795 125.795 126.956 -1.161 18292 6848 1 11 . 1 1 104 104 ALA HA H 104 4.347 4.347 4.272 0.075 18292 6849 1 11 . 1 1 104 104 ALA C C 104 174.370 174.370 177.392 -3.022 18292 6850 1 11 . 1 1 104 104 ALA CA C 104 50.244 50.244 53.519 -3.275 18292 6851 1 11 . 1 1 104 104 ALA CB C 104 16.077 16.077 19.292 -3.215 18292 6852 1 11 . 1 1 104 104 ALA H H 104 6.605 6.605 7.429 -0.824 18292 6853 1 11 . 1 1 105 105 THR N N 105 111.482 111.482 116.505 -5.023 18292 6854 1 11 . 1 1 105 105 THR HA H 105 4.390 4.390 4.504 -0.114 18292 6855 1 11 . 1 1 105 105 THR C C 105 171.563 171.563 173.505 -1.942 18292 6856 1 11 . 1 1 105 105 THR CA C 105 58.977 58.977 61.228 -2.251 18292 6857 1 11 . 1 1 105 105 THR CB C 105 68.537 68.537 68.590 -0.053 18292 6858 1 11 . 1 1 105 105 THR H H 105 8.698 8.698 8.248 0.450 18292 6859 1 11 . 1 1 106 106 GLN N N 106 123.003 123.003 119.485 3.518 18292 6860 1 11 . 1 1 106 106 GLN HA H 106 4.294 4.294 4.578 -0.284 18292 6861 1 11 . 1 1 106 106 GLN C C 106 172.973 172.973 174.250 -1.277 18292 6862 1 11 . 1 1 106 106 GLN CA C 106 52.710 52.710 54.072 -1.362 18292 6863 1 11 . 1 1 106 106 GLN CB C 106 27.282 27.282 30.432 -3.150 18292 6864 1 11 . 1 1 106 106 GLN H H 106 7.944 7.944 7.901 0.043 18292 6865 1 11 . 1 1 107 107 LEU N N 107 124.765 124.765 125.387 -0.622 18292 6866 1 11 . 1 1 107 107 LEU HA H 107 4.328 4.328 4.464 -0.136 18292 6867 1 11 . 1 1 107 107 LEU C C 107 174.110 174.110 177.322 -3.212 18292 6868 1 11 . 1 1 107 107 LEU CA C 107 52.798 52.798 54.910 -2.112 18292 6869 1 11 . 1 1 107 107 LEU CB C 107 37.829 37.829 42.866 -5.037 18292 6870 1 11 . 1 1 107 107 LEU H H 107 8.390 8.390 8.571 -0.181 18292 6871 1 11 . 1 1 108 108 LEU N N 108 122.332 122.332 123.042 -0.710 18292 6872 1 11 . 1 1 108 108 LEU HA H 108 4.259 4.259 4.516 -0.257 18292 6873 1 11 . 1 1 108 108 LEU C C 108 173.870 173.870 176.010 -2.140 18292 6874 1 11 . 1 1 108 108 LEU CA C 108 52.092 52.092 55.043 -2.951 18292 6875 1 11 . 1 1 108 108 LEU CB C 108 39.253 39.253 42.507 -3.254 18292 6876 1 11 . 1 1 108 108 LEU H H 108 8.480 8.480 8.703 -0.223 18292 6877 1 11 . 1 1 109 109 VAL N N 109 115.421 115.421 113.847 1.574 18292 6878 1 11 . 1 1 109 109 VAL HA H 109 4.444 4.444 4.548 -0.103 18292 6879 1 11 . 1 1 109 109 VAL CA C 109 55.640 55.640 58.567 -2.927 18292 6880 1 11 . 1 1 109 109 VAL CB C 109 31.153 31.153 33.108 -1.955 18292 6881 1 11 . 1 1 109 109 VAL H H 109 8.007 8.007 7.951 0.056 18292 6882 1 11 . 1 1 110 110 PRO HA H 110 4.361 4.361 4.591 -0.230 18292 6883 1 11 . 1 1 110 110 PRO C C 110 173.778 173.778 176.369 -2.591 18292 6884 1 11 . 1 1 110 110 PRO CA C 110 59.737 59.737 62.641 -2.904 18292 6885 1 11 . 1 1 110 110 PRO CB C 110 29.710 29.710 32.557 -2.847 18292 6886 1 11 . 1 1 111 111 SER N N 111 120.434 120.434 117.145 3.289 18292 6887 1 11 . 1 1 111 111 SER HA H 111 4.139 4.139 4.295 -0.156 18292 6888 1 11 . 1 1 111 111 SER C C 111 172.475 172.475 174.927 -2.452 18292 6889 1 11 . 1 1 111 111 SER CA C 111 57.674 57.674 60.551 -2.877 18292 6890 1 11 . 1 1 111 111 SER CB C 111 60.580 60.580 64.459 -3.879 18292 6891 1 11 . 1 1 111 111 SER H H 111 9.945 9.945 9.237 0.708 18292 6892 1 11 . 1 1 112 112 ARG N N 112 121.013 121.013 119.424 1.589 18292 6893 1 11 . 1 1 112 112 ARG HA H 112 4.253 4.253 4.462 -0.209 18292 6894 1 11 . 1 1 112 112 ARG C C 112 172.216 172.216 173.708 -1.492 18292 6895 1 11 . 1 1 112 112 ARG CA C 112 53.071 53.071 56.866 -3.795 18292 6896 1 11 . 1 1 112 112 ARG CB C 112 27.963 27.963 30.674 -2.711 18292 6897 1 11 . 1 1 112 112 ARG H H 112 7.861 7.861 7.846 0.015 18292 6898 1 12 . 1 1 2 2 GLN N N 2 125.719 125.719 121.649 4.070 18292 6899 1 12 . 1 1 2 2 GLN HA H 2 4.571 4.571 4.755 -0.184 18292 6900 1 12 . 1 1 2 2 GLN CA C 2 50.502 50.502 54.303 -3.801 18292 6901 1 12 . 1 1 2 2 GLN CB C 2 26.254 26.254 30.596 -4.342 18292 6902 1 12 . 1 1 2 2 GLN H H 2 8.471 8.471 7.841 0.630 18292 6903 1 12 . 1 1 3 3 PRO HA H 3 4.311 4.311 4.452 -0.141 18292 6904 1 12 . 1 1 3 3 PRO C C 3 173.634 173.634 175.780 -2.146 18292 6905 1 12 . 1 1 3 3 PRO CA C 3 60.349 60.349 63.112 -2.763 18292 6906 1 12 . 1 1 3 3 PRO CB C 3 29.678 29.678 30.887 -1.209 18292 6907 1 12 . 1 1 4 4 LEU N N 4 122.253 122.253 125.352 -3.099 18292 6908 1 12 . 1 1 4 4 LEU HA H 4 4.133 4.133 4.526 -0.393 18292 6909 1 12 . 1 1 4 4 LEU C C 4 172.946 172.946 175.598 -2.652 18292 6910 1 12 . 1 1 4 4 LEU CA C 4 51.900 51.900 54.414 -2.514 18292 6911 1 12 . 1 1 4 4 LEU CB C 4 39.711 39.711 41.876 -2.165 18292 6912 1 12 . 1 1 4 4 LEU H H 4 7.912 7.912 7.771 0.141 18292 6913 1 12 . 1 1 5 5 ALA N N 5 122.619 122.619 127.285 -4.666 18292 6914 1 12 . 1 1 5 5 ALA HA H 5 2.385 2.385 4.679 -2.294 18292 6915 1 12 . 1 1 5 5 ALA C C 5 174.164 174.164 176.915 -2.751 18292 6916 1 12 . 1 1 5 5 ALA CA C 5 49.205 49.205 52.491 -3.286 18292 6917 1 12 . 1 1 5 5 ALA CB C 5 17.058 17.058 19.239 -2.181 18292 6918 1 12 . 1 1 5 5 ALA H H 5 7.415 7.415 8.411 -0.996 18292 6919 1 12 . 1 1 6 6 THR N N 6 112.768 112.768 114.927 -2.159 18292 6920 1 12 . 1 1 6 6 THR HA H 6 4.393 4.393 4.574 -0.181 18292 6921 1 12 . 1 1 6 6 THR C C 6 168.908 168.908 175.066 -6.158 18292 6922 1 12 . 1 1 6 6 THR CA C 6 56.371 56.371 59.826 -3.455 18292 6923 1 12 . 1 1 6 6 THR CB C 6 68.874 68.874 71.067 -2.193 18292 6924 1 12 . 1 1 6 6 THR H H 6 6.601 6.601 7.960 -1.359 18292 6925 1 12 . 1 1 7 7 GLN N N 7 111.707 111.707 117.354 -5.647 18292 6926 1 12 . 1 1 7 7 GLN HA H 7 4.344 4.344 4.338 0.006 18292 6927 1 12 . 1 1 7 7 GLN C C 7 171.068 171.068 175.288 -4.220 18292 6928 1 12 . 1 1 7 7 GLN CA C 7 53.795 53.795 56.571 -2.776 18292 6929 1 12 . 1 1 7 7 GLN CB C 7 28.252 28.252 28.040 0.212 18292 6930 1 12 . 1 1 7 7 GLN H H 7 8.547 8.547 8.786 -0.239 18292 6931 1 12 . 1 1 8 8 CYS N N 8 118.669 118.669 115.587 3.082 18292 6932 1 12 . 1 1 8 8 CYS HA H 8 5.389 5.389 5.316 0.073 18292 6933 1 12 . 1 1 8 8 CYS C C 8 171.026 171.026 173.571 -2.545 18292 6934 1 12 . 1 1 8 8 CYS CA C 8 53.652 53.652 55.866 -2.214 18292 6935 1 12 . 1 1 8 8 CYS CB C 8 29.416 29.416 30.886 -1.470 18292 6936 1 12 . 1 1 8 8 CYS H H 8 8.558 8.558 7.644 0.914 18292 6937 1 12 . 1 1 9 9 PHE N N 9 117.117 117.117 118.450 -1.333 18292 6938 1 12 . 1 1 9 9 PHE HA H 9 5.369 5.369 5.575 -0.206 18292 6939 1 12 . 1 1 9 9 PHE C C 9 168.313 168.313 173.151 -4.838 18292 6940 1 12 . 1 1 9 9 PHE CA C 9 53.341 53.341 55.346 -2.005 18292 6941 1 12 . 1 1 9 9 PHE CB C 9 39.008 39.008 41.886 -2.877 18292 6942 1 12 . 1 1 9 9 PHE H H 9 9.533 9.533 8.183 1.350 18292 6943 1 12 . 1 1 10 10 GLN N N 10 118.344 118.344 116.141 2.203 18292 6944 1 12 . 1 1 10 10 GLN HA H 10 5.063 5.063 4.698 0.365 18292 6945 1 12 . 1 1 10 10 GLN C C 10 173.280 173.280 174.191 -0.911 18292 6946 1 12 . 1 1 10 10 GLN CA C 10 50.242 50.242 54.432 -4.190 18292 6947 1 12 . 1 1 10 10 GLN CB C 10 30.263 30.263 32.050 -1.787 18292 6948 1 12 . 1 1 10 10 GLN H H 10 9.299 9.299 8.997 0.302 18292 6949 1 12 . 1 1 11 11 LEU N N 11 128.664 128.664 124.409 4.255 18292 6950 1 12 . 1 1 11 11 LEU HA H 11 5.474 5.474 5.176 0.298 18292 6951 1 12 . 1 1 11 11 LEU C C 11 173.987 173.987 177.515 -3.528 18292 6952 1 12 . 1 1 11 11 LEU CA C 11 50.153 50.153 53.782 -3.629 18292 6953 1 12 . 1 1 11 11 LEU CB C 11 41.779 41.779 44.207 -2.428 18292 6954 1 12 . 1 1 11 11 LEU H H 11 9.679 9.679 8.104 1.575 18292 6955 1 12 . 1 1 12 12 SER N N 12 115.661 115.661 114.769 0.892 18292 6956 1 12 . 1 1 12 12 SER HA H 12 4.877 4.877 4.701 0.176 18292 6957 1 12 . 1 1 12 12 SER C C 12 170.086 170.086 172.557 -2.471 18292 6958 1 12 . 1 1 12 12 SER CA C 12 54.698 54.698 58.270 -3.572 18292 6959 1 12 . 1 1 12 12 SER CB C 12 63.054 63.054 62.998 0.056 18292 6960 1 12 . 1 1 12 12 SER H H 12 8.717 8.717 8.232 0.485 18292 6961 1 12 . 1 1 13 13 ASN N N 13 114.812 114.812 117.955 -3.143 18292 6962 1 12 . 1 1 13 13 ASN HA H 13 4.165 4.165 4.651 -0.486 18292 6963 1 12 . 1 1 13 13 ASN C C 13 171.867 171.867 174.481 -2.614 18292 6964 1 12 . 1 1 13 13 ASN CA C 13 51.269 51.269 53.699 -2.430 18292 6965 1 12 . 1 1 13 13 ASN CB C 13 34.988 34.988 39.848 -4.860 18292 6966 1 12 . 1 1 13 13 ASN H H 13 8.563 8.563 8.403 0.160 18292 6967 1 12 . 1 1 14 14 MET N N 14 113.100 113.100 118.494 -5.394 18292 6968 1 12 . 1 1 14 14 MET HA H 14 4.258 4.258 3.948 0.310 18292 6969 1 12 . 1 1 14 14 MET C C 14 171.935 171.935 175.152 -3.217 18292 6970 1 12 . 1 1 14 14 MET CA C 14 53.020 53.020 56.078 -3.058 18292 6971 1 12 . 1 1 14 14 MET CB C 14 29.746 29.746 33.225 -3.479 18292 6972 1 12 . 1 1 14 14 MET H H 14 8.261 8.261 7.823 0.438 18292 6973 1 12 . 1 1 15 15 PHE N N 15 108.769 108.769 110.579 -1.810 18292 6974 1 12 . 1 1 15 15 PHE HA H 15 4.485 4.485 4.715 -0.230 18292 6975 1 12 . 1 1 15 15 PHE C C 15 170.024 170.024 173.044 -3.020 18292 6976 1 12 . 1 1 15 15 PHE CA C 15 53.080 53.080 56.024 -2.944 18292 6977 1 12 . 1 1 15 15 PHE CB C 15 36.300 36.300 40.306 -4.005 18292 6978 1 12 . 1 1 15 15 PHE H H 15 6.804 6.804 6.668 0.136 18292 6979 1 12 . 1 1 16 16 ASN N N 16 117.922 117.922 119.017 -1.095 18292 6980 1 12 . 1 1 16 16 ASN HA H 16 4.932 4.932 5.194 -0.262 18292 6981 1 12 . 1 1 16 16 ASN CA C 16 47.510 47.510 49.823 -2.313 18292 6982 1 12 . 1 1 16 16 ASN CB C 16 36.512 36.512 40.670 -4.158 18292 6983 1 12 . 1 1 16 16 ASN H H 16 8.681 8.681 8.109 0.572 18292 6984 1 12 . 1 1 17 17 PRO HA H 17 4.102 4.102 4.599 -0.497 18292 6985 1 12 . 1 1 17 17 PRO C C 17 174.773 174.773 176.281 -1.508 18292 6986 1 12 . 1 1 17 17 PRO CA C 17 61.933 61.933 64.650 -2.717 18292 6987 1 12 . 1 1 17 17 PRO CB C 17 29.557 29.557 32.058 -2.501 18292 6988 1 12 . 1 1 18 18 GLN N N 18 116.462 116.462 114.583 1.879 18292 6989 1 12 . 1 1 18 18 GLN HA H 18 4.146 4.146 4.443 -0.297 18292 6990 1 12 . 1 1 18 18 GLN C C 18 174.423 174.423 174.977 -0.554 18292 6991 1 12 . 1 1 18 18 GLN CA C 18 54.067 54.067 55.493 -1.427 18292 6992 1 12 . 1 1 18 18 GLN CB C 18 26.326 26.326 29.814 -3.488 18292 6993 1 12 . 1 1 18 18 GLN H H 18 7.934 7.934 8.067 -0.133 18292 6994 1 12 . 1 1 19 19 THR N N 19 112.362 112.362 114.353 -1.991 18292 6995 1 12 . 1 1 19 19 THR HA H 19 4.176 4.176 4.435 -0.259 18292 6996 1 12 . 1 1 19 19 THR C C 19 171.908 171.908 173.065 -1.157 18292 6997 1 12 . 1 1 19 19 THR CA C 19 59.509 59.509 61.834 -2.325 18292 6998 1 12 . 1 1 19 19 THR CB C 19 66.360 66.360 68.748 -2.388 18292 6999 1 12 . 1 1 19 19 THR H H 19 7.723 7.723 7.558 0.166 18292 7000 1 12 . 1 1 20 20 GLU N N 20 120.326 120.326 121.862 -1.536 18292 7001 1 12 . 1 1 20 20 GLU HA H 20 3.658 3.658 4.207 -0.549 18292 7002 1 12 . 1 1 20 20 GLU C C 20 173.311 173.311 174.517 -1.206 18292 7003 1 12 . 1 1 20 20 GLU CA C 20 53.164 53.164 56.474 -3.309 18292 7004 1 12 . 1 1 20 20 GLU CB C 20 25.837 25.837 30.696 -4.859 18292 7005 1 12 . 1 1 20 20 GLU H H 20 7.312 7.312 7.596 -0.284 18292 7006 1 12 . 1 1 21 21 GLU N N 21 120.796 120.796 120.325 0.471 18292 7007 1 12 . 1 1 21 21 GLU HA H 21 4.162 4.162 4.348 -0.186 18292 7008 1 12 . 1 1 21 21 GLU C C 21 173.747 173.747 175.023 -1.276 18292 7009 1 12 . 1 1 21 21 GLU CA C 21 53.873 53.873 57.015 -3.142 18292 7010 1 12 . 1 1 21 21 GLU CB C 21 28.445 28.445 30.376 -1.931 18292 7011 1 12 . 1 1 21 21 GLU H H 21 8.011 8.011 8.540 -0.529 18292 7012 1 12 . 1 1 22 22 GLU N N 22 121.370 121.370 120.699 0.671 18292 7013 1 12 . 1 1 22 22 GLU HA H 22 4.393 4.393 4.645 -0.252 18292 7014 1 12 . 1 1 22 22 GLU C C 22 173.536 173.536 175.006 -1.470 18292 7015 1 12 . 1 1 22 22 GLU CA C 22 52.982 52.982 55.255 -2.272 18292 7016 1 12 . 1 1 22 22 GLU CB C 22 28.012 28.012 32.339 -4.327 18292 7017 1 12 . 1 1 22 22 GLU H H 22 8.039 8.039 8.140 -0.101 18292 7018 1 12 . 1 1 23 23 VAL N N 23 123.340 123.340 124.939 -1.599 18292 7019 1 12 . 1 1 23 23 VAL HA H 23 3.901 3.901 4.426 -0.525 18292 7020 1 12 . 1 1 23 23 VAL C C 23 175.077 175.077 175.137 -0.060 18292 7021 1 12 . 1 1 23 23 VAL CA C 23 61.540 61.540 61.919 -0.379 18292 7022 1 12 . 1 1 23 23 VAL CB C 23 29.361 29.361 30.841 -1.480 18292 7023 1 12 . 1 1 23 23 VAL H H 23 8.447 8.447 8.580 -0.133 18292 7024 1 12 . 1 1 24 24 GLY N N 24 114.476 114.476 115.240 -0.764 18292 7025 1 12 . 1 1 24 24 GLY C C 24 173.717 173.717 174.677 -0.960 18292 7026 1 12 . 1 1 24 24 GLY CA C 24 42.667 42.667 45.303 -2.636 18292 7027 1 12 . 1 1 24 24 GLY H H 24 9.087 9.087 8.371 0.716 18292 7028 1 12 . 1 1 25 25 TRP N N 25 121.382 121.382 120.974 0.408 18292 7029 1 12 . 1 1 25 25 TRP HA H 25 4.214 4.214 4.527 -0.313 18292 7030 1 12 . 1 1 25 25 TRP C C 25 174.056 174.056 174.870 -0.814 18292 7031 1 12 . 1 1 25 25 TRP CA C 25 56.093 56.093 57.407 -1.314 18292 7032 1 12 . 1 1 25 25 TRP CB C 25 25.016 25.016 28.834 -3.818 18292 7033 1 12 . 1 1 26 26 ASP N N 26 118.789 118.789 118.193 0.596 18292 7034 1 12 . 1 1 26 26 ASP HA H 26 3.261 3.261 4.382 -1.121 18292 7035 1 12 . 1 1 26 26 ASP C C 26 174.709 174.709 176.783 -2.074 18292 7036 1 12 . 1 1 26 26 ASP CA C 26 52.705 52.705 54.775 -2.070 18292 7037 1 12 . 1 1 26 26 ASP CB C 26 34.503 34.503 39.209 -4.706 18292 7038 1 12 . 1 1 26 26 ASP H H 26 7.939 7.939 7.838 0.101 18292 7039 1 12 . 1 1 27 27 THR N N 27 118.934 118.934 116.063 2.871 18292 7040 1 12 . 1 1 27 27 THR HA H 27 3.552 3.552 4.190 -0.638 18292 7041 1 12 . 1 1 27 27 THR C C 27 172.390 172.390 175.951 -3.561 18292 7042 1 12 . 1 1 27 27 THR CA C 27 63.307 63.307 65.255 -1.948 18292 7043 1 12 . 1 1 27 27 THR CB C 27 65.331 65.331 69.885 -4.554 18292 7044 1 12 . 1 1 27 27 THR H H 27 7.103 7.103 7.593 -0.490 18292 7045 1 12 . 1 1 28 28 GLU N N 28 120.484 120.484 122.648 -2.164 18292 7046 1 12 . 1 1 28 28 GLU HA H 28 3.978 3.978 4.181 -0.203 18292 7047 1 12 . 1 1 28 28 GLU C C 28 175.447 175.447 178.836 -3.389 18292 7048 1 12 . 1 1 28 28 GLU CA C 28 56.760 56.760 58.944 -2.184 18292 7049 1 12 . 1 1 28 28 GLU CB C 28 26.418 26.418 28.712 -2.294 18292 7050 1 12 . 1 1 28 28 GLU H H 28 7.473 7.473 8.445 -0.972 18292 7051 1 12 . 1 1 29 29 ILE N N 29 116.961 116.961 119.458 -2.497 18292 7052 1 12 . 1 1 29 29 ILE HA H 29 3.773 3.773 3.913 -0.140 18292 7053 1 12 . 1 1 29 29 ILE C C 29 174.605 174.605 177.796 -3.191 18292 7054 1 12 . 1 1 29 29 ILE CA C 29 61.243 61.243 64.406 -3.163 18292 7055 1 12 . 1 1 29 29 ILE CB C 29 35.267 35.267 37.754 -2.487 18292 7056 1 12 . 1 1 29 29 ILE H H 29 7.113 7.113 8.516 -1.403 18292 7057 1 12 . 1 1 30 30 LYS N N 30 118.457 118.457 120.142 -1.685 18292 7058 1 12 . 1 1 30 30 LYS HA H 30 3.430 3.430 4.105 -0.675 18292 7059 1 12 . 1 1 30 30 LYS C C 30 174.886 174.886 178.284 -3.398 18292 7060 1 12 . 1 1 30 30 LYS CA C 30 57.872 57.872 59.203 -1.331 18292 7061 1 12 . 1 1 30 30 LYS CB C 30 29.680 29.680 32.334 -2.654 18292 7062 1 12 . 1 1 30 30 LYS H H 30 7.480 7.480 7.369 0.111 18292 7063 1 12 . 1 1 31 31 ASP N N 31 118.630 118.630 120.953 -2.323 18292 7064 1 12 . 1 1 31 31 ASP HA H 31 4.233 4.233 4.310 -0.077 18292 7065 1 12 . 1 1 31 31 ASP C C 31 175.558 175.558 178.021 -2.463 18292 7066 1 12 . 1 1 31 31 ASP CA C 31 55.137 55.137 57.906 -2.768 18292 7067 1 12 . 1 1 31 31 ASP CB C 31 36.829 36.829 40.620 -3.791 18292 7068 1 12 . 1 1 31 31 ASP H H 31 8.334 8.334 7.927 0.407 18292 7069 1 12 . 1 1 32 32 ASP N N 32 120.576 120.576 119.883 0.693 18292 7070 1 12 . 1 1 32 32 ASP HA H 32 4.277 4.277 4.364 -0.087 18292 7071 1 12 . 1 1 32 32 ASP C C 32 176.966 176.966 178.725 -1.759 18292 7072 1 12 . 1 1 32 32 ASP CA C 32 54.829 54.829 57.971 -3.142 18292 7073 1 12 . 1 1 32 32 ASP CB C 32 37.331 37.331 40.840 -3.509 18292 7074 1 12 . 1 1 32 32 ASP H H 32 8.189 8.189 8.318 -0.129 18292 7075 1 12 . 1 1 33 33 VAL N N 33 121.083 121.083 118.719 2.364 18292 7076 1 12 . 1 1 33 33 VAL HA H 33 3.444 3.444 3.797 -0.353 18292 7077 1 12 . 1 1 33 33 VAL C C 33 175.529 175.529 178.294 -2.765 18292 7078 1 12 . 1 1 33 33 VAL CA C 33 64.511 64.511 65.613 -1.102 18292 7079 1 12 . 1 1 33 33 VAL CB C 33 28.920 28.920 31.924 -3.004 18292 7080 1 12 . 1 1 33 33 VAL H H 33 8.069 8.069 7.373 0.696 18292 7081 1 12 . 1 1 34 34 ILE N N 34 122.145 122.145 120.907 1.238 18292 7082 1 12 . 1 1 34 34 ILE HA H 34 3.272 3.272 3.587 -0.315 18292 7083 1 12 . 1 1 34 34 ILE C C 34 174.723 174.723 177.783 -3.060 18292 7084 1 12 . 1 1 34 34 ILE CA C 34 63.723 63.723 65.721 -1.998 18292 7085 1 12 . 1 1 34 34 ILE CB C 34 35.949 35.949 37.395 -1.446 18292 7086 1 12 . 1 1 34 34 ILE H H 34 8.887 8.887 7.910 0.977 18292 7087 1 12 . 1 1 35 35 GLU N N 35 117.927 117.927 119.891 -1.964 18292 7088 1 12 . 1 1 35 35 GLU HA H 35 3.830 3.830 3.940 -0.110 18292 7089 1 12 . 1 1 35 35 GLU C C 35 176.747 176.747 179.402 -2.655 18292 7090 1 12 . 1 1 35 35 GLU CA C 35 57.183 57.183 60.106 -2.923 18292 7091 1 12 . 1 1 35 35 GLU CB C 35 26.969 26.969 29.163 -2.194 18292 7092 1 12 . 1 1 35 35 GLU H H 35 8.565 8.565 8.525 0.040 18292 7093 1 12 . 1 1 36 36 GLU N N 36 117.299 117.299 118.366 -1.067 18292 7094 1 12 . 1 1 36 36 GLU HA H 36 4.012 4.012 4.208 -0.196 18292 7095 1 12 . 1 1 36 36 GLU C C 36 176.604 176.604 178.773 -2.169 18292 7096 1 12 . 1 1 36 36 GLU CA C 36 56.357 56.357 58.818 -2.461 18292 7097 1 12 . 1 1 36 36 GLU CB C 36 26.612 26.612 29.367 -2.755 18292 7098 1 12 . 1 1 36 36 GLU H H 36 7.523 7.523 7.959 -0.436 18292 7099 1 12 . 1 1 37 37 CYS N N 37 116.308 116.308 116.715 -0.407 18292 7100 1 12 . 1 1 37 37 CYS HA H 37 4.141 4.141 4.507 -0.366 18292 7101 1 12 . 1 1 37 37 CYS C C 37 175.888 175.888 176.717 -0.829 18292 7102 1 12 . 1 1 37 37 CYS CA C 37 61.915 61.915 61.925 -0.010 18292 7103 1 12 . 1 1 37 37 CYS CB C 37 24.513 24.513 27.683 -3.171 18292 7104 1 12 . 1 1 37 37 CYS H H 37 8.754 8.754 8.103 0.651 18292 7105 1 12 . 1 1 38 38 ASN N N 38 121.598 121.598 119.284 2.314 18292 7106 1 12 . 1 1 38 38 ASN HA H 38 4.452 4.452 4.366 0.086 18292 7107 1 12 . 1 1 38 38 ASN C C 38 174.340 174.340 176.350 -2.010 18292 7108 1 12 . 1 1 38 38 ASN CA C 38 52.249 52.249 55.348 -3.099 18292 7109 1 12 . 1 1 38 38 ASN CB C 38 34.488 34.488 38.219 -3.731 18292 7110 1 12 . 1 1 38 38 ASN H H 38 8.800 8.800 8.453 0.347 18292 7111 1 12 . 1 1 39 39 LYS N N 39 119.297 119.297 116.861 2.436 18292 7112 1 12 . 1 1 39 39 LYS HA H 39 4.002 4.002 4.085 -0.083 18292 7113 1 12 . 1 1 39 39 LYS C C 39 174.388 174.388 177.682 -3.294 18292 7114 1 12 . 1 1 39 39 LYS CA C 39 55.239 55.239 57.949 -2.710 18292 7115 1 12 . 1 1 39 39 LYS CB C 39 29.477 29.477 32.333 -2.856 18292 7116 1 12 . 1 1 39 39 LYS H H 39 7.427 7.427 7.513 -0.086 18292 7117 1 12 . 1 1 40 40 HIS N N 40 114.421 114.421 113.437 0.984 18292 7118 1 12 . 1 1 40 40 HIS HA H 40 4.896 4.896 4.914 -0.018 18292 7119 1 12 . 1 1 40 40 HIS C C 40 171.895 171.895 176.131 -4.236 18292 7120 1 12 . 1 1 40 40 HIS CA C 40 51.758 51.758 55.899 -4.141 18292 7121 1 12 . 1 1 40 40 HIS CB C 40 28.775 28.775 31.635 -2.860 18292 7122 1 12 . 1 1 40 40 HIS H H 40 7.453 7.453 7.598 -0.145 18292 7123 1 12 . 1 1 41 41 GLY N N 41 106.587 106.587 104.623 1.964 18292 7124 1 12 . 1 1 41 41 GLY C C 41 171.376 171.376 174.226 -2.850 18292 7125 1 12 . 1 1 41 41 GLY CA C 41 42.388 42.388 45.056 -2.668 18292 7126 1 12 . 1 1 41 41 GLY H H 41 7.599 7.599 7.452 0.147 18292 7127 1 12 . 1 1 42 42 GLY N N 42 107.066 107.066 109.924 -2.858 18292 7128 1 12 . 1 1 42 42 GLY C C 42 169.120 169.120 172.628 -3.508 18292 7129 1 12 . 1 1 42 42 GLY CA C 42 41.518 41.518 45.077 -3.558 18292 7130 1 12 . 1 1 42 42 GLY H H 42 7.942 7.942 7.687 0.255 18292 7131 1 12 . 1 1 43 43 VAL N N 43 114.640 114.640 118.207 -3.567 18292 7132 1 12 . 1 1 43 43 VAL HA H 43 4.527 4.527 4.484 0.043 18292 7133 1 12 . 1 1 43 43 VAL C C 43 169.861 169.861 174.814 -4.953 18292 7134 1 12 . 1 1 43 43 VAL CA C 43 58.404 58.404 60.555 -2.151 18292 7135 1 12 . 1 1 43 43 VAL CB C 43 31.692 31.692 35.219 -3.527 18292 7136 1 12 . 1 1 43 43 VAL H H 43 8.679 8.679 8.353 0.326 18292 7137 1 12 . 1 1 44 44 ILE N N 44 115.792 115.792 122.783 -6.991 18292 7138 1 12 . 1 1 44 44 ILE HA H 44 4.918 4.918 5.023 -0.105 18292 7139 1 12 . 1 1 44 44 ILE C C 44 172.246 172.246 175.036 -2.790 18292 7140 1 12 . 1 1 44 44 ILE CA C 44 57.770 57.770 60.718 -2.948 18292 7141 1 12 . 1 1 44 44 ILE CB C 44 37.197 37.197 39.217 -2.020 18292 7142 1 12 . 1 1 44 44 ILE H H 44 8.587 8.587 8.328 0.259 18292 7143 1 12 . 1 1 45 45 HIS N N 45 122.684 122.684 117.275 5.409 18292 7144 1 12 . 1 1 45 45 HIS HA H 45 4.426 4.426 4.742 -0.316 18292 7145 1 12 . 1 1 45 45 HIS C C 45 168.452 168.452 172.849 -4.397 18292 7146 1 12 . 1 1 45 45 HIS CA C 45 55.548 55.548 56.152 -0.604 18292 7147 1 12 . 1 1 45 45 HIS CB C 45 31.632 31.632 34.097 -2.465 18292 7148 1 12 . 1 1 45 45 HIS H H 45 7.791 7.791 7.621 0.170 18292 7149 1 12 . 1 1 46 46 ILE N N 46 123.917 123.917 123.490 0.427 18292 7150 1 12 . 1 1 46 46 ILE HA H 46 5.120 5.120 4.929 0.191 18292 7151 1 12 . 1 1 46 46 ILE C C 46 170.171 170.171 173.351 -3.180 18292 7152 1 12 . 1 1 46 46 ILE CA C 46 56.063 56.063 59.901 -3.838 18292 7153 1 12 . 1 1 46 46 ILE CB C 46 39.753 39.753 42.263 -2.510 18292 7154 1 12 . 1 1 46 46 ILE H H 46 7.391 7.391 8.224 -0.833 18292 7155 1 12 . 1 1 47 47 TYR N N 47 125.750 125.750 125.463 0.287 18292 7156 1 12 . 1 1 47 47 TYR HA H 47 4.370 4.370 4.788 -0.418 18292 7157 1 12 . 1 1 47 47 TYR C C 47 171.029 171.029 173.448 -2.419 18292 7158 1 12 . 1 1 47 47 TYR CA C 47 54.800 54.800 56.445 -1.645 18292 7159 1 12 . 1 1 47 47 TYR CB C 47 39.851 39.851 41.132 -1.281 18292 7160 1 12 . 1 1 47 47 TYR H H 47 9.055 9.055 9.161 -0.106 18292 7161 1 12 . 1 1 48 48 VAL N N 48 129.720 129.720 128.256 1.464 18292 7162 1 12 . 1 1 48 48 VAL HA H 48 3.869 3.869 3.940 -0.071 18292 7163 1 12 . 1 1 48 48 VAL C C 48 170.949 170.949 175.467 -4.518 18292 7164 1 12 . 1 1 48 48 VAL CA C 48 59.328 59.328 61.984 -2.656 18292 7165 1 12 . 1 1 48 48 VAL CB C 48 29.022 29.022 31.347 -2.325 18292 7166 1 12 . 1 1 48 48 VAL H H 48 8.290 8.290 8.412 -0.122 18292 7167 1 12 . 1 1 49 49 ASP N N 49 125.287 125.287 127.760 -2.473 18292 7168 1 12 . 1 1 49 49 ASP HA H 49 4.703 4.703 4.224 0.479 18292 7169 1 12 . 1 1 49 49 ASP C C 49 173.851 173.851 175.625 -1.774 18292 7170 1 12 . 1 1 49 49 ASP CA C 49 50.349 50.349 52.751 -2.402 18292 7171 1 12 . 1 1 49 49 ASP CB C 49 38.139 38.139 42.318 -4.179 18292 7172 1 12 . 1 1 49 49 ASP H H 49 8.274 8.274 7.987 0.287 18292 7173 1 12 . 1 1 50 50 LYS N N 50 125.099 125.099 121.270 3.829 18292 7174 1 12 . 1 1 50 50 LYS HA H 50 4.096 4.096 3.929 0.167 18292 7175 1 12 . 1 1 50 50 LYS C C 50 173.120 173.120 178.031 -4.911 18292 7176 1 12 . 1 1 50 50 LYS CA C 50 56.284 56.284 58.405 -2.121 18292 7177 1 12 . 1 1 50 50 LYS CB C 50 29.763 29.763 32.891 -3.128 18292 7178 1 12 . 1 1 50 50 LYS H H 50 8.090 8.090 8.530 -0.440 18292 7179 1 12 . 1 1 51 51 ASN N N 51 114.422 114.422 119.036 -4.614 18292 7180 1 12 . 1 1 51 51 ASN HA H 51 4.931 4.931 4.699 0.232 18292 7181 1 12 . 1 1 51 51 ASN C C 51 172.685 172.685 175.533 -2.848 18292 7182 1 12 . 1 1 51 51 ASN CA C 51 50.744 50.744 54.336 -3.591 18292 7183 1 12 . 1 1 51 51 ASN CB C 51 37.036 37.036 38.216 -1.180 18292 7184 1 12 . 1 1 51 51 ASN H H 51 8.272 8.272 8.545 -0.273 18292 7185 1 12 . 1 1 52 52 SER N N 52 115.013 115.013 115.903 -0.890 18292 7186 1 12 . 1 1 52 52 SER HA H 52 4.410 4.410 4.353 0.057 18292 7187 1 12 . 1 1 52 52 SER C C 52 172.628 172.628 173.970 -1.342 18292 7188 1 12 . 1 1 52 52 SER CA C 52 55.035 55.035 59.365 -4.330 18292 7189 1 12 . 1 1 52 52 SER CB C 52 61.604 61.604 63.744 -2.140 18292 7190 1 12 . 1 1 52 52 SER H H 52 7.920 7.920 7.629 0.291 18292 7191 1 12 . 1 1 53 53 ALA N N 53 129.163 129.163 122.504 6.659 18292 7192 1 12 . 1 1 53 53 ALA HA H 53 4.088 4.088 4.526 -0.438 18292 7193 1 12 . 1 1 53 53 ALA C C 53 175.951 175.951 177.372 -1.421 18292 7194 1 12 . 1 1 53 53 ALA CA C 53 51.409 51.409 52.512 -1.103 18292 7195 1 12 . 1 1 53 53 ALA CB C 53 15.878 15.878 20.375 -4.497 18292 7196 1 12 . 1 1 53 53 ALA H H 53 8.837 8.837 8.645 0.192 18292 7197 1 12 . 1 1 54 54 GLN N N 54 113.081 113.081 117.649 -4.568 18292 7198 1 12 . 1 1 54 54 GLN HA H 54 4.202 4.202 4.424 -0.222 18292 7199 1 12 . 1 1 54 54 GLN C C 54 173.388 173.388 175.098 -1.710 18292 7200 1 12 . 1 1 54 54 GLN CA C 54 52.993 52.993 54.779 -1.786 18292 7201 1 12 . 1 1 54 54 GLN CB C 54 26.360 26.360 30.677 -4.317 18292 7202 1 12 . 1 1 54 54 GLN H H 54 7.836 7.836 8.321 -0.485 18292 7203 1 12 . 1 1 55 55 GLY N N 55 108.967 108.967 108.304 0.663 18292 7204 1 12 . 1 1 55 55 GLY CA C 55 45.087 45.087 44.858 0.229 18292 7205 1 12 . 1 1 55 55 GLY H H 55 7.191 7.191 8.067 -0.876 18292 7206 1 12 . 1 1 56 56 ASN N N 56 114.505 114.505 118.434 -3.929 18292 7207 1 12 . 1 1 56 56 ASN HA H 56 5.520 5.520 5.474 0.046 18292 7208 1 12 . 1 1 56 56 ASN C C 56 172.166 172.166 174.494 -2.328 18292 7209 1 12 . 1 1 56 56 ASN CA C 56 50.462 50.462 53.111 -2.649 18292 7210 1 12 . 1 1 56 56 ASN CB C 56 38.400 38.400 41.019 -2.619 18292 7211 1 12 . 1 1 56 56 ASN H H 56 7.614 7.614 7.851 -0.237 18292 7212 1 12 . 1 1 57 57 VAL N N 57 119.859 119.859 118.193 1.666 18292 7213 1 12 . 1 1 57 57 VAL HA H 57 4.692 4.692 4.526 0.166 18292 7214 1 12 . 1 1 57 57 VAL C C 57 170.667 170.667 174.006 -3.339 18292 7215 1 12 . 1 1 57 57 VAL CA C 57 58.163 58.163 60.549 -2.386 18292 7216 1 12 . 1 1 57 57 VAL CB C 57 33.663 33.663 36.188 -2.525 18292 7217 1 12 . 1 1 57 57 VAL H H 57 8.354 8.354 8.089 0.265 18292 7218 1 12 . 1 1 58 58 TYR N N 58 128.478 128.478 120.112 8.366 18292 7219 1 12 . 1 1 58 58 TYR HA H 58 4.937 4.937 5.056 -0.119 18292 7220 1 12 . 1 1 58 58 TYR C C 58 170.605 170.605 173.973 -3.368 18292 7221 1 12 . 1 1 58 58 TYR CA C 58 55.354 55.354 57.376 -2.022 18292 7222 1 12 . 1 1 58 58 TYR CB C 58 37.775 37.775 42.288 -4.513 18292 7223 1 12 . 1 1 58 58 TYR H H 58 9.275 9.275 8.763 0.512 18292 7224 1 12 . 1 1 59 59 VAL N N 59 123.117 123.117 121.203 1.914 18292 7225 1 12 . 1 1 59 59 VAL HA H 59 4.462 4.462 4.810 -0.348 18292 7226 1 12 . 1 1 59 59 VAL C C 59 170.875 170.875 173.256 -2.381 18292 7227 1 12 . 1 1 59 59 VAL CA C 59 58.527 58.527 59.822 -1.295 18292 7228 1 12 . 1 1 59 59 VAL CB C 59 32.611 32.611 35.830 -3.219 18292 7229 1 12 . 1 1 59 59 VAL H H 59 8.860 8.860 8.412 0.448 18292 7230 1 12 . 1 1 60 60 LYS N N 60 123.266 123.266 126.368 -3.102 18292 7231 1 12 . 1 1 60 60 LYS HA H 60 4.745 4.745 4.831 -0.086 18292 7232 1 12 . 1 1 60 60 LYS C C 60 173.399 173.399 175.134 -1.735 18292 7233 1 12 . 1 1 60 60 LYS CA C 60 52.207 52.207 54.606 -2.399 18292 7234 1 12 . 1 1 60 60 LYS CB C 60 34.244 34.244 36.000 -1.756 18292 7235 1 12 . 1 1 60 60 LYS H H 60 8.668 8.668 8.840 -0.172 18292 7236 1 12 . 1 1 61 61 CYS N N 61 125.267 125.267 125.334 -0.067 18292 7237 1 12 . 1 1 61 61 CYS HA H 61 4.740 4.740 4.942 -0.202 18292 7238 1 12 . 1 1 61 61 CYS CA C 61 56.393 56.393 56.327 0.066 18292 7239 1 12 . 1 1 61 61 CYS CB C 61 27.416 27.416 28.670 -1.254 18292 7240 1 12 . 1 1 61 61 CYS H H 61 9.207 9.207 8.871 0.336 18292 7241 1 12 . 1 1 62 62 PRO HA H 62 4.266 4.266 4.368 -0.102 18292 7242 1 12 . 1 1 62 62 PRO C C 62 171.443 171.443 176.003 -4.560 18292 7243 1 12 . 1 1 62 62 PRO CA C 62 61.167 61.167 64.327 -3.160 18292 7244 1 12 . 1 1 62 62 PRO CB C 62 29.450 29.450 32.179 -2.729 18292 7245 1 12 . 1 1 63 63 SER N N 63 108.558 108.558 112.475 -3.917 18292 7246 1 12 . 1 1 63 63 SER HA H 63 4.606 4.606 4.584 0.022 18292 7247 1 12 . 1 1 63 63 SER C C 63 171.147 171.147 174.667 -3.520 18292 7248 1 12 . 1 1 63 63 SER CA C 63 53.259 53.259 56.601 -3.342 18292 7249 1 12 . 1 1 63 63 SER CB C 63 63.378 63.378 66.111 -2.733 18292 7250 1 12 . 1 1 63 63 SER H H 63 6.990 6.990 7.611 -0.621 18292 7251 1 12 . 1 1 64 64 ILE N N 64 122.885 122.885 124.194 -1.309 18292 7252 1 12 . 1 1 64 64 ILE HA H 64 3.462 3.462 3.889 -0.427 18292 7253 1 12 . 1 1 64 64 ILE C C 64 174.204 174.204 177.660 -3.456 18292 7254 1 12 . 1 1 64 64 ILE CA C 64 62.955 62.955 64.830 -1.875 18292 7255 1 12 . 1 1 64 64 ILE CB C 64 35.297 35.297 38.110 -2.813 18292 7256 1 12 . 1 1 64 64 ILE H H 64 8.786 8.786 8.547 0.239 18292 7257 1 12 . 1 1 65 65 ALA N N 65 120.653 120.653 121.390 -0.737 18292 7258 1 12 . 1 1 65 65 ALA HA H 65 3.890 3.890 3.937 -0.047 18292 7259 1 12 . 1 1 65 65 ALA C C 65 177.926 177.926 178.918 -0.992 18292 7260 1 12 . 1 1 65 65 ALA CA C 65 52.772 52.772 54.605 -1.833 18292 7261 1 12 . 1 1 65 65 ALA CB C 65 15.552 15.552 17.835 -2.283 18292 7262 1 12 . 1 1 65 65 ALA H H 65 8.287 8.287 8.508 -0.221 18292 7263 1 12 . 1 1 66 66 ALA N N 66 119.802 119.802 120.089 -0.287 18292 7264 1 12 . 1 1 66 66 ALA HA H 66 4.344 4.344 3.890 0.454 18292 7265 1 12 . 1 1 66 66 ALA C C 66 176.063 176.063 178.695 -2.632 18292 7266 1 12 . 1 1 66 66 ALA CA C 66 52.108 52.108 54.034 -1.926 18292 7267 1 12 . 1 1 66 66 ALA CB C 66 16.106 16.106 18.632 -2.526 18292 7268 1 12 . 1 1 66 66 ALA H H 66 7.952 7.952 7.398 0.554 18292 7269 1 12 . 1 1 67 67 ALA N N 67 121.626 121.626 123.089 -1.463 18292 7270 1 12 . 1 1 67 67 ALA HA H 67 4.398 4.398 3.845 0.553 18292 7271 1 12 . 1 1 67 67 ALA C C 67 175.824 175.824 179.209 -3.385 18292 7272 1 12 . 1 1 67 67 ALA CA C 67 53.135 53.135 54.690 -1.555 18292 7273 1 12 . 1 1 67 67 ALA CB C 67 17.020 17.020 18.076 -1.056 18292 7274 1 12 . 1 1 67 67 ALA H H 67 7.332 7.332 7.534 -0.202 18292 7275 1 12 . 1 1 68 68 ILE N N 68 117.793 117.793 118.821 -1.028 18292 7276 1 12 . 1 1 68 68 ILE HA H 68 4.185 4.185 3.494 0.691 18292 7277 1 12 . 1 1 68 68 ILE C C 68 176.163 176.163 177.963 -1.800 18292 7278 1 12 . 1 1 68 68 ILE CA C 68 61.323 61.323 64.972 -3.649 18292 7279 1 12 . 1 1 68 68 ILE CB C 68 36.657 36.657 37.477 -0.820 18292 7280 1 12 . 1 1 68 68 ILE H H 68 8.655 8.655 7.600 1.055 18292 7281 1 12 . 1 1 69 69 ALA N N 69 119.051 119.051 120.836 -1.785 18292 7282 1 12 . 1 1 69 69 ALA HA H 69 3.836 3.836 3.845 -0.009 18292 7283 1 12 . 1 1 69 69 ALA C C 69 177.325 177.325 179.298 -1.973 18292 7284 1 12 . 1 1 69 69 ALA CA C 69 51.781 51.781 54.924 -3.143 18292 7285 1 12 . 1 1 69 69 ALA CB C 69 15.767 15.767 17.799 -2.032 18292 7286 1 12 . 1 1 69 69 ALA H H 69 7.377 7.377 7.452 -0.075 18292 7287 1 12 . 1 1 70 70 ALA N N 70 121.378 121.378 120.571 0.807 18292 7288 1 12 . 1 1 70 70 ALA HA H 70 3.544 3.544 3.972 -0.428 18292 7289 1 12 . 1 1 70 70 ALA C C 70 176.012 176.012 179.247 -3.235 18292 7290 1 12 . 1 1 70 70 ALA CA C 70 52.966 52.966 54.389 -1.423 18292 7291 1 12 . 1 1 70 70 ALA CB C 70 16.740 16.740 18.330 -1.590 18292 7292 1 12 . 1 1 70 70 ALA H H 70 7.798 7.798 7.205 0.593 18292 7293 1 12 . 1 1 71 71 VAL N N 71 119.944 119.944 119.300 0.644 18292 7294 1 12 . 1 1 71 71 VAL HA H 71 2.524 2.524 3.263 -0.739 18292 7295 1 12 . 1 1 71 71 VAL C C 71 175.408 175.408 177.973 -2.565 18292 7296 1 12 . 1 1 71 71 VAL CA C 71 64.993 64.993 67.098 -2.105 18292 7297 1 12 . 1 1 71 71 VAL CB C 71 28.184 28.184 31.468 -3.284 18292 7298 1 12 . 1 1 71 71 VAL H H 71 8.662 8.662 7.996 0.666 18292 7299 1 12 . 1 1 72 72 ASN N N 72 114.981 114.981 117.863 -2.882 18292 7300 1 12 . 1 1 72 72 ASN HA H 72 4.244 4.244 4.426 -0.182 18292 7301 1 12 . 1 1 72 72 ASN C C 72 174.490 174.490 176.958 -2.468 18292 7302 1 12 . 1 1 72 72 ASN CA C 72 52.776 52.776 55.974 -3.198 18292 7303 1 12 . 1 1 72 72 ASN CB C 72 35.394 35.394 37.970 -2.576 18292 7304 1 12 . 1 1 72 72 ASN H H 72 8.061 8.061 8.473 -0.412 18292 7305 1 12 . 1 1 73 73 ALA N N 73 120.308 120.308 121.477 -1.169 18292 7306 1 12 . 1 1 73 73 ALA HA H 73 4.162 4.162 4.104 0.058 18292 7307 1 12 . 1 1 73 73 ALA C C 73 176.245 176.245 178.696 -2.451 18292 7308 1 12 . 1 1 73 73 ALA CA C 73 51.058 51.058 54.519 -3.461 18292 7309 1 12 . 1 1 73 73 ALA CB C 73 17.457 17.457 19.200 -1.743 18292 7310 1 12 . 1 1 73 73 ALA H H 73 7.230 7.230 7.744 -0.514 18292 7311 1 12 . 1 1 74 74 LEU N N 74 118.156 118.156 116.190 1.966 18292 7312 1 12 . 1 1 74 74 LEU HA H 74 4.021 4.021 4.385 -0.364 18292 7313 1 12 . 1 1 74 74 LEU C C 74 173.863 173.863 177.552 -3.689 18292 7314 1 12 . 1 1 74 74 LEU CA C 74 53.853 53.853 55.582 -1.729 18292 7315 1 12 . 1 1 74 74 LEU CB C 74 41.552 41.552 43.094 -1.542 18292 7316 1 12 . 1 1 74 74 LEU H H 74 7.856 7.856 7.929 -0.073 18292 7317 1 12 . 1 1 75 75 HIS N N 75 117.126 117.126 119.128 -2.002 18292 7318 1 12 . 1 1 75 75 HIS HA H 75 3.830 3.830 4.243 -0.413 18292 7319 1 12 . 1 1 75 75 HIS C C 75 174.851 174.851 176.456 -1.605 18292 7320 1 12 . 1 1 75 75 HIS CA C 75 56.621 56.621 58.437 -1.816 18292 7321 1 12 . 1 1 75 75 HIS CB C 75 28.299 28.299 30.124 -1.825 18292 7322 1 12 . 1 1 75 75 HIS H H 75 8.434 8.434 8.061 0.373 18292 7323 1 12 . 1 1 76 76 GLY N N 76 116.761 116.761 116.498 0.263 18292 7324 1 12 . 1 1 76 76 GLY CA C 76 42.221 42.221 44.914 -2.693 18292 7325 1 12 . 1 1 76 76 GLY H H 76 8.418 8.418 8.828 -0.410 18292 7326 1 12 . 1 1 77 77 ARG N N 77 120.430 120.430 120.568 -0.138 18292 7327 1 12 . 1 1 77 77 ARG HA H 77 4.248 4.248 4.367 -0.119 18292 7328 1 12 . 1 1 77 77 ARG C C 77 173.536 173.536 174.730 -1.194 18292 7329 1 12 . 1 1 77 77 ARG CA C 77 53.029 53.029 56.371 -3.342 18292 7330 1 12 . 1 1 77 77 ARG CB C 77 29.058 29.058 31.744 -2.686 18292 7331 1 12 . 1 1 77 77 ARG H H 77 7.385 7.385 7.671 -0.286 18292 7332 1 12 . 1 1 78 78 TRP N N 78 122.989 122.989 123.763 -0.774 18292 7333 1 12 . 1 1 78 78 TRP HA H 78 4.941 4.941 4.950 -0.009 18292 7334 1 12 . 1 1 78 78 TRP C C 78 173.888 173.888 175.838 -1.950 18292 7335 1 12 . 1 1 78 78 TRP CA C 78 54.234 54.234 56.379 -2.145 18292 7336 1 12 . 1 1 78 78 TRP CB C 78 26.923 26.923 30.067 -3.144 18292 7337 1 12 . 1 1 78 78 TRP H H 78 8.463 8.463 8.543 -0.080 18292 7338 1 12 . 1 1 79 79 PHE N N 79 126.899 126.899 124.683 2.216 18292 7339 1 12 . 1 1 79 79 PHE HA H 79 4.637 4.637 4.517 0.120 18292 7340 1 12 . 1 1 79 79 PHE C C 79 171.696 171.696 176.741 -5.045 18292 7341 1 12 . 1 1 79 79 PHE CA C 79 54.624 54.624 58.621 -3.997 18292 7342 1 12 . 1 1 79 79 PHE CB C 79 39.577 39.577 41.221 -1.643 18292 7343 1 12 . 1 1 79 79 PHE H H 79 9.500 9.500 8.956 0.544 18292 7344 1 12 . 1 1 80 80 ALA N N 80 130.285 130.285 124.554 5.731 18292 7345 1 12 . 1 1 80 80 ALA HA H 80 3.705 3.705 4.247 -0.542 18292 7346 1 12 . 1 1 80 80 ALA C C 80 174.560 174.560 176.957 -2.397 18292 7347 1 12 . 1 1 80 80 ALA CA C 80 49.993 49.993 52.489 -2.496 18292 7348 1 12 . 1 1 80 80 ALA CB C 80 14.479 14.479 16.832 -2.353 18292 7349 1 12 . 1 1 80 80 ALA H H 80 8.840 8.840 8.389 0.451 18292 7350 1 12 . 1 1 81 81 GLY N N 81 102.771 102.771 109.058 -6.287 18292 7351 1 12 . 1 1 81 81 GLY C C 81 171.087 171.087 173.614 -2.527 18292 7352 1 12 . 1 1 81 81 GLY CA C 81 42.891 42.891 45.002 -2.111 18292 7353 1 12 . 1 1 81 81 GLY H H 81 8.268 8.268 8.462 -0.194 18292 7354 1 12 . 1 1 82 82 LYS N N 82 120.307 120.307 118.093 2.214 18292 7355 1 12 . 1 1 82 82 LYS HA H 82 4.469 4.469 4.664 -0.195 18292 7356 1 12 . 1 1 82 82 LYS C C 82 170.688 170.688 174.232 -3.544 18292 7357 1 12 . 1 1 82 82 LYS CA C 82 52.029 52.029 54.525 -2.496 18292 7358 1 12 . 1 1 82 82 LYS CB C 82 32.776 32.776 34.493 -1.717 18292 7359 1 12 . 1 1 82 82 LYS H H 82 7.791 7.791 7.871 -0.080 18292 7360 1 12 . 1 1 83 83 MET N N 83 121.212 121.212 120.833 0.379 18292 7361 1 12 . 1 1 83 83 MET HA H 83 3.871 3.871 4.163 -0.292 18292 7362 1 12 . 1 1 83 83 MET C C 83 173.474 173.474 175.303 -1.829 18292 7363 1 12 . 1 1 83 83 MET CA C 83 51.968 51.968 55.474 -3.506 18292 7364 1 12 . 1 1 83 83 MET CB C 83 30.275 30.275 33.224 -2.949 18292 7365 1 12 . 1 1 83 83 MET H H 83 7.953 7.953 8.414 -0.461 18292 7366 1 12 . 1 1 84 84 ILE N N 84 128.512 128.512 123.415 5.097 18292 7367 1 12 . 1 1 84 84 ILE HA H 84 4.230 4.230 4.244 -0.014 18292 7368 1 12 . 1 1 84 84 ILE C C 84 173.459 173.459 174.861 -1.402 18292 7369 1 12 . 1 1 84 84 ILE CA C 84 58.832 58.832 58.616 0.216 18292 7370 1 12 . 1 1 84 84 ILE CB C 84 36.088 36.088 38.226 -2.138 18292 7371 1 12 . 1 1 84 84 ILE H H 84 8.683 8.683 8.780 -0.097 18292 7372 1 12 . 1 1 85 85 THR N N 85 115.456 115.456 117.599 -2.143 18292 7373 1 12 . 1 1 85 85 THR HA H 85 4.825 4.825 4.041 0.784 18292 7374 1 12 . 1 1 85 85 THR CA C 85 56.520 56.520 59.813 -3.293 18292 7375 1 12 . 1 1 85 85 THR CB C 85 68.803 68.803 70.702 -1.899 18292 7376 1 12 . 1 1 85 85 THR H H 85 7.318 7.318 8.343 -1.025 18292 7377 1 12 . 1 1 86 86 ALA N N 86 128.004 128.004 124.166 3.838 18292 7378 1 12 . 1 1 86 86 ALA HA H 86 5.542 5.542 5.528 0.014 18292 7379 1 12 . 1 1 86 86 ALA C C 86 173.070 173.070 175.331 -2.261 18292 7380 1 12 . 1 1 86 86 ALA CA C 86 47.491 47.491 49.892 -2.401 18292 7381 1 12 . 1 1 86 86 ALA CB C 86 22.241 22.241 22.662 -0.421 18292 7382 1 12 . 1 1 86 86 ALA H H 86 10.712 10.712 7.941 2.771 18292 7383 1 12 . 1 1 87 87 ALA N N 87 122.902 122.902 121.122 1.780 18292 7384 1 12 . 1 1 87 87 ALA HA H 87 4.499 4.499 4.968 -0.469 18292 7385 1 12 . 1 1 87 87 ALA C C 87 173.781 173.781 175.230 -1.449 18292 7386 1 12 . 1 1 87 87 ALA CA C 87 47.989 47.989 51.108 -3.119 18292 7387 1 12 . 1 1 87 87 ALA CB C 87 19.981 19.981 22.067 -2.086 18292 7388 1 12 . 1 1 87 87 ALA H H 87 8.413 8.413 8.631 -0.218 18292 7389 1 12 . 1 1 88 88 TYR N N 88 120.267 120.267 121.007 -0.740 18292 7390 1 12 . 1 1 88 88 TYR HA H 88 4.723 4.723 4.779 -0.056 18292 7391 1 12 . 1 1 88 88 TYR C C 88 173.615 173.615 176.302 -2.687 18292 7392 1 12 . 1 1 88 88 TYR CA C 88 57.556 57.556 57.086 0.471 18292 7393 1 12 . 1 1 88 88 TYR CB C 88 36.474 36.474 39.201 -2.727 18292 7394 1 12 . 1 1 88 88 TYR H H 88 8.311 8.311 8.805 -0.494 18292 7395 1 12 . 1 1 89 89 VAL N N 89 123.298 123.298 123.480 -0.182 18292 7396 1 12 . 1 1 89 89 VAL HA H 89 4.696 4.696 4.688 0.008 18292 7397 1 12 . 1 1 89 89 VAL CA C 89 55.899 55.899 59.184 -3.285 18292 7398 1 12 . 1 1 89 89 VAL CB C 89 33.445 33.445 34.282 -0.837 18292 7399 1 12 . 1 1 89 89 VAL H H 89 8.420 8.420 9.140 -0.720 18292 7400 1 12 . 1 1 90 90 PRO HA H 90 4.450 4.450 4.679 -0.229 18292 7401 1 12 . 1 1 90 90 PRO CA C 90 60.310 60.310 63.178 -2.868 18292 7402 1 12 . 1 1 90 90 PRO CB C 90 30.489 30.489 32.612 -2.123 18292 7403 1 12 . 1 1 91 91 LEU N N 91 126.649 126.649 126.554 0.095 18292 7404 1 12 . 1 1 91 91 LEU HA H 91 3.975 3.975 4.376 -0.401 18292 7405 1 12 . 1 1 91 91 LEU CA C 91 56.691 56.691 59.942 -3.251 18292 7406 1 12 . 1 1 91 91 LEU CB C 91 37.139 37.139 40.649 -3.510 18292 7407 1 12 . 1 1 91 91 LEU H H 91 8.997 8.997 8.887 0.110 18292 7408 1 12 . 1 1 92 92 PRO HA H 92 4.211 4.211 4.388 -0.177 18292 7409 1 12 . 1 1 92 92 PRO C C 92 177.175 177.175 177.550 -0.375 18292 7410 1 12 . 1 1 92 92 PRO CA C 92 63.104 63.104 64.862 -1.758 18292 7411 1 12 . 1 1 92 92 PRO CB C 92 27.973 27.973 31.360 -3.387 18292 7412 1 12 . 1 1 93 93 THR N N 93 112.839 112.839 113.296 -0.457 18292 7413 1 12 . 1 1 93 93 THR HA H 93 3.827 3.827 4.386 -0.559 18292 7414 1 12 . 1 1 93 93 THR C C 93 172.669 172.669 175.506 -2.837 18292 7415 1 12 . 1 1 93 93 THR CA C 93 63.096 63.096 64.771 -1.675 18292 7416 1 12 . 1 1 93 93 THR CB C 93 65.968 65.968 70.414 -4.446 18292 7417 1 12 . 1 1 93 93 THR H H 93 6.528 6.528 7.721 -1.193 18292 7418 1 12 . 1 1 94 94 TYR N N 94 125.195 125.195 124.593 0.602 18292 7419 1 12 . 1 1 94 94 TYR HA H 94 3.515 3.515 4.130 -0.615 18292 7420 1 12 . 1 1 94 94 TYR C C 94 174.953 174.953 177.315 -2.362 18292 7421 1 12 . 1 1 94 94 TYR CA C 94 60.012 60.012 62.578 -2.566 18292 7422 1 12 . 1 1 94 94 TYR CB C 94 37.588 37.588 38.870 -1.282 18292 7423 1 12 . 1 1 94 94 TYR H H 94 8.263 8.263 8.786 -0.523 18292 7424 1 12 . 1 1 95 95 HIS N N 95 114.994 114.994 116.947 -1.953 18292 7425 1 12 . 1 1 95 95 HIS HA H 95 4.187 4.187 4.353 -0.166 18292 7426 1 12 . 1 1 95 95 HIS C C 95 173.780 173.780 176.836 -3.056 18292 7427 1 12 . 1 1 95 95 HIS CA C 95 53.471 53.471 58.635 -5.164 18292 7428 1 12 . 1 1 95 95 HIS CB C 95 26.528 26.528 29.248 -2.720 18292 7429 1 12 . 1 1 95 95 HIS H H 95 8.529 8.529 8.722 -0.193 18292 7430 1 12 . 1 1 96 96 ASN N N 96 116.599 116.599 115.523 1.076 18292 7431 1 12 . 1 1 96 96 ASN HA H 96 4.315 4.315 4.086 0.229 18292 7432 1 12 . 1 1 96 96 ASN C C 96 175.849 175.849 176.622 -0.773 18292 7433 1 12 . 1 1 96 96 ASN CA C 96 52.814 52.814 54.889 -2.075 18292 7434 1 12 . 1 1 96 96 ASN CB C 96 36.453 36.453 38.172 -1.719 18292 7435 1 12 . 1 1 96 96 ASN H H 96 7.343 7.343 7.332 0.011 18292 7436 1 12 . 1 1 97 97 LEU N N 97 119.316 119.316 118.628 0.688 18292 7437 1 12 . 1 1 97 97 LEU HA H 97 3.406 3.406 3.744 -0.338 18292 7438 1 12 . 1 1 97 97 LEU CA C 97 54.399 54.399 56.340 -1.941 18292 7439 1 12 . 1 1 97 97 LEU CB C 97 39.614 39.614 41.846 -2.232 18292 7440 1 12 . 1 1 97 97 LEU H H 97 7.299 7.299 7.117 0.182 18292 7441 1 12 . 1 1 98 98 PHE N N 98 113.688 113.688 115.930 -2.242 18292 7442 1 12 . 1 1 98 98 PHE HA H 98 4.696 4.696 4.832 -0.136 18292 7443 1 12 . 1 1 98 98 PHE CA C 98 54.399 54.399 54.673 -0.274 18292 7444 1 12 . 1 1 98 98 PHE CB C 98 35.380 35.380 38.390 -3.010 18292 7445 1 12 . 1 1 98 98 PHE H H 98 7.795 7.795 7.874 -0.079 18292 7446 1 12 . 1 1 99 99 PRO HA H 99 4.430 4.430 4.749 -0.319 18292 7447 1 12 . 1 1 99 99 PRO C C 99 176.469 176.469 176.738 -0.269 18292 7448 1 12 . 1 1 99 99 PRO CA C 99 63.174 63.174 63.960 -0.786 18292 7449 1 12 . 1 1 99 99 PRO CB C 99 28.822 28.822 31.902 -3.080 18292 7450 1 12 . 1 1 100 100 ASP N N 100 115.482 115.482 116.776 -1.294 18292 7451 1 12 . 1 1 100 100 ASP HA H 100 4.306 4.306 4.713 -0.407 18292 7452 1 12 . 1 1 100 100 ASP C C 100 174.886 174.886 177.853 -2.967 18292 7453 1 12 . 1 1 100 100 ASP CA C 100 53.064 53.064 55.336 -2.272 18292 7454 1 12 . 1 1 100 100 ASP CB C 100 36.736 36.736 41.040 -4.304 18292 7455 1 12 . 1 1 100 100 ASP H H 100 8.897 8.897 8.325 0.572 18292 7456 1 12 . 1 1 101 101 SER N N 101 114.743 114.743 116.267 -1.524 18292 7457 1 12 . 1 1 101 101 SER HA H 101 3.876 3.876 4.152 -0.276 18292 7458 1 12 . 1 1 101 101 SER C C 101 173.539 173.539 176.105 -2.566 18292 7459 1 12 . 1 1 101 101 SER CA C 101 58.183 58.183 61.283 -3.100 18292 7460 1 12 . 1 1 101 101 SER CB C 101 61.403 61.403 62.531 -1.127 18292 7461 1 12 . 1 1 101 101 SER H H 101 8.057 8.057 7.661 0.396 18292 7462 1 12 . 1 1 102 102 MET N N 102 122.103 122.103 118.288 3.815 18292 7463 1 12 . 1 1 102 102 MET HA H 102 3.340 3.340 4.562 -1.222 18292 7464 1 12 . 1 1 102 102 MET C C 102 174.488 174.488 176.586 -2.098 18292 7465 1 12 . 1 1 102 102 MET CA C 102 56.606 56.606 57.474 -0.868 18292 7466 1 12 . 1 1 102 102 MET CB C 102 31.312 31.312 32.144 -0.832 18292 7467 1 12 . 1 1 102 102 MET H H 102 7.319 7.319 8.265 -0.946 18292 7468 1 12 . 1 1 103 103 THR N N 103 104.780 104.780 109.216 -4.436 18292 7469 1 12 . 1 1 103 103 THR HA H 103 4.318 4.318 4.474 -0.156 18292 7470 1 12 . 1 1 103 103 THR C C 103 171.121 171.121 174.704 -3.583 18292 7471 1 12 . 1 1 103 103 THR CA C 103 57.203 57.203 61.284 -4.081 18292 7472 1 12 . 1 1 103 103 THR CB C 103 65.753 65.753 69.978 -4.225 18292 7473 1 12 . 1 1 103 103 THR H H 103 7.216 7.216 7.914 -0.698 18292 7474 1 12 . 1 1 104 104 ALA N N 104 125.795 125.795 126.053 -0.258 18292 7475 1 12 . 1 1 104 104 ALA HA H 104 4.347 4.347 4.438 -0.091 18292 7476 1 12 . 1 1 104 104 ALA C C 104 174.370 174.370 177.145 -2.775 18292 7477 1 12 . 1 1 104 104 ALA CA C 104 50.244 50.244 52.988 -2.744 18292 7478 1 12 . 1 1 104 104 ALA CB C 104 16.077 16.077 19.537 -3.460 18292 7479 1 12 . 1 1 104 104 ALA H H 104 6.605 6.605 7.422 -0.817 18292 7480 1 12 . 1 1 105 105 THR N N 105 111.482 111.482 114.132 -2.650 18292 7481 1 12 . 1 1 105 105 THR HA H 105 4.390 4.390 4.375 0.015 18292 7482 1 12 . 1 1 105 105 THR C C 105 171.563 171.563 174.427 -2.864 18292 7483 1 12 . 1 1 105 105 THR CA C 105 58.977 58.977 61.717 -2.740 18292 7484 1 12 . 1 1 105 105 THR CB C 105 68.537 68.537 69.536 -0.999 18292 7485 1 12 . 1 1 105 105 THR H H 105 8.698 8.698 8.549 0.149 18292 7486 1 12 . 1 1 106 106 GLN N N 106 123.003 123.003 122.014 0.989 18292 7487 1 12 . 1 1 106 106 GLN HA H 106 4.294 4.294 4.317 -0.023 18292 7488 1 12 . 1 1 106 106 GLN C C 106 172.973 172.973 175.021 -2.048 18292 7489 1 12 . 1 1 106 106 GLN CA C 106 52.710 52.710 55.284 -2.574 18292 7490 1 12 . 1 1 106 106 GLN CB C 106 27.282 27.282 28.621 -1.339 18292 7491 1 12 . 1 1 106 106 GLN H H 106 7.944 7.944 8.198 -0.254 18292 7492 1 12 . 1 1 107 107 LEU N N 107 124.765 124.765 126.585 -1.820 18292 7493 1 12 . 1 1 107 107 LEU HA H 107 4.328 4.328 4.304 0.024 18292 7494 1 12 . 1 1 107 107 LEU C C 107 174.110 174.110 177.136 -3.026 18292 7495 1 12 . 1 1 107 107 LEU CA C 107 52.798 52.798 55.269 -2.471 18292 7496 1 12 . 1 1 107 107 LEU CB C 107 37.829 37.829 41.967 -4.138 18292 7497 1 12 . 1 1 107 107 LEU H H 107 8.390 8.390 8.583 -0.193 18292 7498 1 12 . 1 1 108 108 LEU N N 108 122.332 122.332 126.258 -3.926 18292 7499 1 12 . 1 1 108 108 LEU HA H 108 4.259 4.259 4.466 -0.207 18292 7500 1 12 . 1 1 108 108 LEU C C 108 173.870 173.870 175.399 -1.529 18292 7501 1 12 . 1 1 108 108 LEU CA C 108 52.092 52.092 55.201 -3.109 18292 7502 1 12 . 1 1 108 108 LEU CB C 108 39.253 39.253 42.554 -3.301 18292 7503 1 12 . 1 1 108 108 LEU H H 108 8.480 8.480 8.679 -0.199 18292 7504 1 12 . 1 1 109 109 VAL N N 109 115.421 115.421 114.797 0.624 18292 7505 1 12 . 1 1 109 109 VAL HA H 109 4.444 4.444 4.633 -0.189 18292 7506 1 12 . 1 1 109 109 VAL CA C 109 55.640 55.640 57.444 -1.804 18292 7507 1 12 . 1 1 109 109 VAL CB C 109 31.153 31.153 32.710 -1.557 18292 7508 1 12 . 1 1 109 109 VAL H H 109 8.007 8.007 8.070 -0.063 18292 7509 1 12 . 1 1 110 110 PRO HA H 110 4.361 4.361 4.660 -0.299 18292 7510 1 12 . 1 1 110 110 PRO C C 110 173.778 173.778 175.714 -1.936 18292 7511 1 12 . 1 1 110 110 PRO CA C 110 59.737 59.737 62.626 -2.889 18292 7512 1 12 . 1 1 110 110 PRO CB C 110 29.710 29.710 33.375 -3.665 18292 7513 1 12 . 1 1 111 111 SER N N 111 120.434 120.434 114.606 5.828 18292 7514 1 12 . 1 1 111 111 SER HA H 111 4.139 4.139 4.615 -0.476 18292 7515 1 12 . 1 1 111 111 SER C C 111 172.475 172.475 174.118 -1.643 18292 7516 1 12 . 1 1 111 111 SER CA C 111 57.674 57.674 58.912 -1.238 18292 7517 1 12 . 1 1 111 111 SER CB C 111 60.580 60.580 65.755 -5.175 18292 7518 1 12 . 1 1 111 111 SER H H 111 9.945 9.945 9.391 0.554 18292 7519 1 12 . 1 1 112 112 ARG N N 112 121.013 121.013 121.794 -0.781 18292 7520 1 12 . 1 1 112 112 ARG HA H 112 4.253 4.253 4.436 -0.183 18292 7521 1 12 . 1 1 112 112 ARG C C 112 172.216 172.216 173.509 -1.293 18292 7522 1 12 . 1 1 112 112 ARG CA C 112 53.071 53.071 56.718 -3.647 18292 7523 1 12 . 1 1 112 112 ARG CB C 112 27.963 27.963 31.705 -3.742 18292 7524 1 12 . 1 1 112 112 ARG H H 112 7.861 7.861 8.806 -0.945 18292 7525 1 13 . 1 1 2 2 GLN N N 2 125.719 125.719 124.582 1.137 18292 7526 1 13 . 1 1 2 2 GLN HA H 2 4.571 4.571 4.539 0.032 18292 7527 1 13 . 1 1 2 2 GLN CA C 2 50.502 50.502 54.564 -4.062 18292 7528 1 13 . 1 1 2 2 GLN CB C 2 26.254 26.254 29.453 -3.199 18292 7529 1 13 . 1 1 2 2 GLN H H 2 8.471 8.471 8.468 0.003 18292 7530 1 13 . 1 1 3 3 PRO HA H 3 4.311 4.311 4.488 -0.177 18292 7531 1 13 . 1 1 3 3 PRO C C 3 173.634 173.634 175.857 -2.223 18292 7532 1 13 . 1 1 3 3 PRO CA C 3 60.349 60.349 63.325 -2.976 18292 7533 1 13 . 1 1 3 3 PRO CB C 3 29.678 29.678 30.642 -0.964 18292 7534 1 13 . 1 1 4 4 LEU N N 4 122.253 122.253 116.444 5.809 18292 7535 1 13 . 1 1 4 4 LEU HA H 4 4.133 4.133 4.568 -0.435 18292 7536 1 13 . 1 1 4 4 LEU C C 4 172.946 172.946 175.259 -2.313 18292 7537 1 13 . 1 1 4 4 LEU CA C 4 51.900 51.900 54.748 -2.848 18292 7538 1 13 . 1 1 4 4 LEU CB C 4 39.711 39.711 41.397 -1.686 18292 7539 1 13 . 1 1 4 4 LEU H H 4 7.912 7.912 7.750 0.162 18292 7540 1 13 . 1 1 5 5 ALA N N 5 122.619 122.619 124.638 -2.019 18292 7541 1 13 . 1 1 5 5 ALA HA H 5 2.385 2.385 4.176 -1.791 18292 7542 1 13 . 1 1 5 5 ALA C C 5 174.164 174.164 176.895 -2.731 18292 7543 1 13 . 1 1 5 5 ALA CA C 5 49.205 49.205 51.870 -2.665 18292 7544 1 13 . 1 1 5 5 ALA CB C 5 17.058 17.058 17.408 -0.350 18292 7545 1 13 . 1 1 5 5 ALA H H 5 7.415 7.415 8.023 -0.608 18292 7546 1 13 . 1 1 6 6 THR N N 6 112.768 112.768 114.206 -1.438 18292 7547 1 13 . 1 1 6 6 THR HA H 6 4.393 4.393 4.707 -0.314 18292 7548 1 13 . 1 1 6 6 THR C C 6 168.908 168.908 175.625 -6.717 18292 7549 1 13 . 1 1 6 6 THR CA C 6 56.371 56.371 59.521 -3.150 18292 7550 1 13 . 1 1 6 6 THR CB C 6 68.874 68.874 71.066 -2.192 18292 7551 1 13 . 1 1 6 6 THR H H 6 6.601 6.601 7.927 -1.326 18292 7552 1 13 . 1 1 7 7 GLN N N 7 111.707 111.707 117.752 -6.045 18292 7553 1 13 . 1 1 7 7 GLN HA H 7 4.344 4.344 4.431 -0.087 18292 7554 1 13 . 1 1 7 7 GLN C C 7 171.068 171.068 175.183 -4.115 18292 7555 1 13 . 1 1 7 7 GLN CA C 7 53.795 53.795 56.653 -2.858 18292 7556 1 13 . 1 1 7 7 GLN CB C 7 28.252 28.252 28.062 0.190 18292 7557 1 13 . 1 1 7 7 GLN H H 7 8.547 8.547 8.941 -0.394 18292 7558 1 13 . 1 1 8 8 CYS N N 8 118.669 118.669 115.634 3.035 18292 7559 1 13 . 1 1 8 8 CYS HA H 8 5.389 5.389 5.526 -0.137 18292 7560 1 13 . 1 1 8 8 CYS C C 8 171.026 171.026 173.445 -2.419 18292 7561 1 13 . 1 1 8 8 CYS CA C 8 53.652 53.652 55.709 -2.057 18292 7562 1 13 . 1 1 8 8 CYS CB C 8 29.416 29.416 31.143 -1.727 18292 7563 1 13 . 1 1 8 8 CYS H H 8 8.558 8.558 7.650 0.908 18292 7564 1 13 . 1 1 9 9 PHE N N 9 117.117 117.117 118.486 -1.369 18292 7565 1 13 . 1 1 9 9 PHE HA H 9 5.369 5.369 5.019 0.350 18292 7566 1 13 . 1 1 9 9 PHE C C 9 168.313 168.313 172.952 -4.639 18292 7567 1 13 . 1 1 9 9 PHE CA C 9 53.341 53.341 56.187 -2.846 18292 7568 1 13 . 1 1 9 9 PHE CB C 9 39.008 39.008 41.594 -2.586 18292 7569 1 13 . 1 1 9 9 PHE H H 9 9.533 9.533 8.822 0.711 18292 7570 1 13 . 1 1 10 10 GLN N N 10 118.344 118.344 119.232 -0.888 18292 7571 1 13 . 1 1 10 10 GLN HA H 10 5.063 5.063 4.899 0.164 18292 7572 1 13 . 1 1 10 10 GLN C C 10 173.280 173.280 174.689 -1.409 18292 7573 1 13 . 1 1 10 10 GLN CA C 10 50.242 50.242 53.667 -3.425 18292 7574 1 13 . 1 1 10 10 GLN CB C 10 30.263 30.263 31.613 -1.350 18292 7575 1 13 . 1 1 10 10 GLN H H 10 9.299 9.299 8.166 1.133 18292 7576 1 13 . 1 1 11 11 LEU N N 11 128.664 128.664 123.359 5.305 18292 7577 1 13 . 1 1 11 11 LEU HA H 11 5.474 5.474 4.964 0.510 18292 7578 1 13 . 1 1 11 11 LEU C C 11 173.987 173.987 177.547 -3.560 18292 7579 1 13 . 1 1 11 11 LEU CA C 11 50.153 50.153 54.045 -3.892 18292 7580 1 13 . 1 1 11 11 LEU CB C 11 41.779 41.779 43.412 -1.633 18292 7581 1 13 . 1 1 11 11 LEU H H 11 9.679 9.679 7.863 1.816 18292 7582 1 13 . 1 1 12 12 SER N N 12 115.661 115.661 113.039 2.622 18292 7583 1 13 . 1 1 12 12 SER HA H 12 4.877 4.877 4.768 0.109 18292 7584 1 13 . 1 1 12 12 SER C C 12 170.086 170.086 173.323 -3.237 18292 7585 1 13 . 1 1 12 12 SER CA C 12 54.698 54.698 58.257 -3.559 18292 7586 1 13 . 1 1 12 12 SER CB C 12 63.054 63.054 63.490 -0.436 18292 7587 1 13 . 1 1 12 12 SER H H 12 8.717 8.717 8.187 0.530 18292 7588 1 13 . 1 1 13 13 ASN N N 13 114.812 114.812 118.057 -3.245 18292 7589 1 13 . 1 1 13 13 ASN HA H 13 4.165 4.165 4.633 -0.468 18292 7590 1 13 . 1 1 13 13 ASN C C 13 171.867 171.867 174.787 -2.920 18292 7591 1 13 . 1 1 13 13 ASN CA C 13 51.269 51.269 53.426 -2.157 18292 7592 1 13 . 1 1 13 13 ASN CB C 13 34.988 34.988 40.624 -5.636 18292 7593 1 13 . 1 1 13 13 ASN H H 13 8.563 8.563 8.116 0.447 18292 7594 1 13 . 1 1 14 14 MET N N 14 113.100 113.100 118.075 -4.975 18292 7595 1 13 . 1 1 14 14 MET HA H 14 4.258 4.258 4.078 0.180 18292 7596 1 13 . 1 1 14 14 MET C C 14 171.935 171.935 175.599 -3.664 18292 7597 1 13 . 1 1 14 14 MET CA C 14 53.020 53.020 55.406 -2.386 18292 7598 1 13 . 1 1 14 14 MET CB C 14 29.746 29.746 32.637 -2.891 18292 7599 1 13 . 1 1 14 14 MET H H 14 8.261 8.261 7.920 0.341 18292 7600 1 13 . 1 1 15 15 PHE N N 15 108.769 108.769 111.897 -3.128 18292 7601 1 13 . 1 1 15 15 PHE HA H 15 4.485 4.485 4.634 -0.149 18292 7602 1 13 . 1 1 15 15 PHE C C 15 170.024 170.024 173.300 -3.276 18292 7603 1 13 . 1 1 15 15 PHE CA C 15 53.080 53.080 55.178 -2.098 18292 7604 1 13 . 1 1 15 15 PHE CB C 15 36.300 36.300 39.936 -3.636 18292 7605 1 13 . 1 1 15 15 PHE H H 15 6.804 6.804 6.997 -0.193 18292 7606 1 13 . 1 1 16 16 ASN N N 16 117.922 117.922 116.284 1.638 18292 7607 1 13 . 1 1 16 16 ASN HA H 16 4.932 4.932 5.110 -0.178 18292 7608 1 13 . 1 1 16 16 ASN CA C 16 47.510 47.510 50.598 -3.088 18292 7609 1 13 . 1 1 16 16 ASN CB C 16 36.512 36.512 40.140 -3.628 18292 7610 1 13 . 1 1 16 16 ASN H H 16 8.681 8.681 8.526 0.155 18292 7611 1 13 . 1 1 17 17 PRO HA H 17 4.102 4.102 4.757 -0.655 18292 7612 1 13 . 1 1 17 17 PRO C C 17 174.773 174.773 176.956 -2.183 18292 7613 1 13 . 1 1 17 17 PRO CA C 17 61.933 61.933 64.312 -2.380 18292 7614 1 13 . 1 1 17 17 PRO CB C 17 29.557 29.557 32.396 -2.839 18292 7615 1 13 . 1 1 18 18 GLN N N 18 116.462 116.462 116.235 0.227 18292 7616 1 13 . 1 1 18 18 GLN HA H 18 4.146 4.146 4.462 -0.316 18292 7617 1 13 . 1 1 18 18 GLN C C 18 174.423 174.423 175.553 -1.130 18292 7618 1 13 . 1 1 18 18 GLN CA C 18 54.067 54.067 55.873 -1.806 18292 7619 1 13 . 1 1 18 18 GLN CB C 18 26.326 26.326 29.348 -3.022 18292 7620 1 13 . 1 1 18 18 GLN H H 18 7.934 7.934 8.269 -0.335 18292 7621 1 13 . 1 1 19 19 THR N N 19 112.362 112.362 115.982 -3.620 18292 7622 1 13 . 1 1 19 19 THR HA H 19 4.176 4.176 4.456 -0.280 18292 7623 1 13 . 1 1 19 19 THR C C 19 171.908 171.908 172.346 -0.438 18292 7624 1 13 . 1 1 19 19 THR CA C 19 59.509 59.509 62.335 -2.826 18292 7625 1 13 . 1 1 19 19 THR CB C 19 66.360 66.360 69.167 -2.807 18292 7626 1 13 . 1 1 19 19 THR H H 19 7.723 7.723 7.614 0.109 18292 7627 1 13 . 1 1 20 20 GLU N N 20 120.326 120.326 120.139 0.187 18292 7628 1 13 . 1 1 20 20 GLU HA H 20 3.658 3.658 3.629 0.029 18292 7629 1 13 . 1 1 20 20 GLU C C 20 173.311 173.311 174.545 -1.234 18292 7630 1 13 . 1 1 20 20 GLU CA C 20 53.164 53.164 55.769 -2.605 18292 7631 1 13 . 1 1 20 20 GLU CB C 20 25.837 25.837 30.212 -4.375 18292 7632 1 13 . 1 1 20 20 GLU H H 20 7.312 7.312 7.907 -0.595 18292 7633 1 13 . 1 1 21 21 GLU N N 21 120.796 120.796 121.833 -1.037 18292 7634 1 13 . 1 1 21 21 GLU HA H 21 4.162 4.162 4.477 -0.315 18292 7635 1 13 . 1 1 21 21 GLU C C 21 173.747 173.747 175.359 -1.612 18292 7636 1 13 . 1 1 21 21 GLU CA C 21 53.873 53.873 56.525 -2.652 18292 7637 1 13 . 1 1 21 21 GLU CB C 21 28.445 28.445 30.427 -1.982 18292 7638 1 13 . 1 1 21 21 GLU H H 21 8.011 8.011 8.301 -0.290 18292 7639 1 13 . 1 1 22 22 GLU N N 22 121.370 121.370 119.788 1.582 18292 7640 1 13 . 1 1 22 22 GLU HA H 22 4.393 4.393 4.651 -0.258 18292 7641 1 13 . 1 1 22 22 GLU C C 22 173.536 173.536 175.296 -1.760 18292 7642 1 13 . 1 1 22 22 GLU CA C 22 52.982 52.982 55.144 -2.162 18292 7643 1 13 . 1 1 22 22 GLU CB C 22 28.012 28.012 32.559 -4.547 18292 7644 1 13 . 1 1 22 22 GLU H H 22 8.039 8.039 8.151 -0.112 18292 7645 1 13 . 1 1 23 23 VAL N N 23 123.340 123.340 123.403 -0.063 18292 7646 1 13 . 1 1 23 23 VAL HA H 23 3.901 3.901 4.216 -0.315 18292 7647 1 13 . 1 1 23 23 VAL C C 23 175.077 175.077 175.449 -0.372 18292 7648 1 13 . 1 1 23 23 VAL CA C 23 61.540 61.540 61.536 0.004 18292 7649 1 13 . 1 1 23 23 VAL CB C 23 29.361 29.361 30.969 -1.608 18292 7650 1 13 . 1 1 23 23 VAL H H 23 8.447 8.447 8.538 -0.091 18292 7651 1 13 . 1 1 24 24 GLY N N 24 114.476 114.476 115.292 -0.816 18292 7652 1 13 . 1 1 24 24 GLY C C 24 173.717 173.717 175.712 -1.995 18292 7653 1 13 . 1 1 24 24 GLY CA C 24 42.667 42.667 44.569 -1.903 18292 7654 1 13 . 1 1 24 24 GLY H H 24 9.087 9.087 7.803 1.284 18292 7655 1 13 . 1 1 25 25 TRP N N 25 121.382 121.382 120.904 0.478 18292 7656 1 13 . 1 1 25 25 TRP HA H 25 4.214 4.214 4.339 -0.125 18292 7657 1 13 . 1 1 25 25 TRP C C 25 174.056 174.056 174.990 -0.934 18292 7658 1 13 . 1 1 25 25 TRP CA C 25 56.093 56.093 57.730 -1.637 18292 7659 1 13 . 1 1 25 25 TRP CB C 25 25.016 25.016 28.430 -3.413 18292 7660 1 13 . 1 1 26 26 ASP N N 26 118.789 118.789 118.576 0.213 18292 7661 1 13 . 1 1 26 26 ASP HA H 26 3.261 3.261 4.330 -1.069 18292 7662 1 13 . 1 1 26 26 ASP C C 26 174.709 174.709 177.890 -3.181 18292 7663 1 13 . 1 1 26 26 ASP CA C 26 52.705 52.705 55.532 -2.827 18292 7664 1 13 . 1 1 26 26 ASP CB C 26 34.503 34.503 40.098 -5.595 18292 7665 1 13 . 1 1 26 26 ASP H H 26 7.939 7.939 7.907 0.032 18292 7666 1 13 . 1 1 27 27 THR N N 27 118.934 118.934 117.580 1.354 18292 7667 1 13 . 1 1 27 27 THR HA H 27 3.552 3.552 3.849 -0.297 18292 7668 1 13 . 1 1 27 27 THR C C 27 172.390 172.390 176.247 -3.857 18292 7669 1 13 . 1 1 27 27 THR CA C 27 63.307 63.307 67.818 -4.511 18292 7670 1 13 . 1 1 27 27 THR CB C 27 65.331 65.331 68.776 -3.445 18292 7671 1 13 . 1 1 27 27 THR H H 27 7.103 7.103 7.970 -0.867 18292 7672 1 13 . 1 1 28 28 GLU N N 28 120.484 120.484 120.574 -0.090 18292 7673 1 13 . 1 1 28 28 GLU HA H 28 3.978 3.978 4.106 -0.128 18292 7674 1 13 . 1 1 28 28 GLU C C 28 175.447 175.447 178.947 -3.500 18292 7675 1 13 . 1 1 28 28 GLU CA C 28 56.760 56.760 59.680 -2.920 18292 7676 1 13 . 1 1 28 28 GLU CB C 28 26.418 26.418 29.342 -2.924 18292 7677 1 13 . 1 1 28 28 GLU H H 28 7.473 7.473 8.394 -0.921 18292 7678 1 13 . 1 1 29 29 ILE N N 29 116.961 116.961 118.486 -1.525 18292 7679 1 13 . 1 1 29 29 ILE HA H 29 3.773 3.773 3.901 -0.128 18292 7680 1 13 . 1 1 29 29 ILE C C 29 174.605 174.605 177.905 -3.300 18292 7681 1 13 . 1 1 29 29 ILE CA C 29 61.243 61.243 64.571 -3.328 18292 7682 1 13 . 1 1 29 29 ILE CB C 29 35.267 35.267 37.748 -2.481 18292 7683 1 13 . 1 1 29 29 ILE H H 29 7.113 7.113 7.536 -0.423 18292 7684 1 13 . 1 1 30 30 LYS N N 30 118.457 118.457 120.602 -2.145 18292 7685 1 13 . 1 1 30 30 LYS HA H 30 3.430 3.430 3.938 -0.508 18292 7686 1 13 . 1 1 30 30 LYS C C 30 174.886 174.886 178.191 -3.305 18292 7687 1 13 . 1 1 30 30 LYS CA C 30 57.872 57.872 59.738 -1.866 18292 7688 1 13 . 1 1 30 30 LYS CB C 30 29.680 29.680 32.143 -2.463 18292 7689 1 13 . 1 1 30 30 LYS H H 30 7.480 7.480 7.779 -0.299 18292 7690 1 13 . 1 1 31 31 ASP N N 31 118.630 118.630 120.068 -1.438 18292 7691 1 13 . 1 1 31 31 ASP HA H 31 4.233 4.233 4.396 -0.164 18292 7692 1 13 . 1 1 31 31 ASP C C 31 175.558 175.558 177.802 -2.244 18292 7693 1 13 . 1 1 31 31 ASP CA C 31 55.137 55.137 58.057 -2.920 18292 7694 1 13 . 1 1 31 31 ASP CB C 31 36.829 36.829 40.808 -3.979 18292 7695 1 13 . 1 1 31 31 ASP H H 31 8.334 8.334 7.947 0.387 18292 7696 1 13 . 1 1 32 32 ASP N N 32 120.576 120.576 118.509 2.067 18292 7697 1 13 . 1 1 32 32 ASP HA H 32 4.277 4.277 4.651 -0.374 18292 7698 1 13 . 1 1 32 32 ASP C C 32 176.966 176.966 178.685 -1.719 18292 7699 1 13 . 1 1 32 32 ASP CA C 32 54.829 54.829 56.548 -1.719 18292 7700 1 13 . 1 1 32 32 ASP CB C 32 37.331 37.331 40.908 -3.577 18292 7701 1 13 . 1 1 32 32 ASP H H 32 8.189 8.189 8.217 -0.028 18292 7702 1 13 . 1 1 33 33 VAL N N 33 121.083 121.083 120.306 0.777 18292 7703 1 13 . 1 1 33 33 VAL HA H 33 3.444 3.444 3.880 -0.436 18292 7704 1 13 . 1 1 33 33 VAL C C 33 175.529 175.529 177.504 -1.975 18292 7705 1 13 . 1 1 33 33 VAL CA C 33 64.511 64.511 65.695 -1.184 18292 7706 1 13 . 1 1 33 33 VAL CB C 33 28.920 28.920 31.820 -2.900 18292 7707 1 13 . 1 1 33 33 VAL H H 33 8.069 8.069 7.335 0.734 18292 7708 1 13 . 1 1 34 34 ILE N N 34 122.145 122.145 120.110 2.035 18292 7709 1 13 . 1 1 34 34 ILE HA H 34 3.272 3.272 3.700 -0.428 18292 7710 1 13 . 1 1 34 34 ILE C C 34 174.723 174.723 177.695 -2.972 18292 7711 1 13 . 1 1 34 34 ILE CA C 34 63.723 63.723 65.307 -1.584 18292 7712 1 13 . 1 1 34 34 ILE CB C 34 35.949 35.949 37.570 -1.621 18292 7713 1 13 . 1 1 34 34 ILE H H 34 8.887 8.887 7.309 1.578 18292 7714 1 13 . 1 1 35 35 GLU N N 35 117.927 117.927 119.817 -1.890 18292 7715 1 13 . 1 1 35 35 GLU HA H 35 3.830 3.830 3.877 -0.047 18292 7716 1 13 . 1 1 35 35 GLU C C 35 176.747 176.747 178.552 -1.805 18292 7717 1 13 . 1 1 35 35 GLU CA C 35 57.183 57.183 60.109 -2.926 18292 7718 1 13 . 1 1 35 35 GLU CB C 35 26.969 26.969 28.648 -1.679 18292 7719 1 13 . 1 1 35 35 GLU H H 35 8.565 8.565 8.566 -0.001 18292 7720 1 13 . 1 1 36 36 GLU N N 36 117.299 117.299 120.011 -2.712 18292 7721 1 13 . 1 1 36 36 GLU HA H 36 4.012 4.012 4.128 -0.116 18292 7722 1 13 . 1 1 36 36 GLU C C 36 176.604 176.604 178.827 -2.223 18292 7723 1 13 . 1 1 36 36 GLU CA C 36 56.357 56.357 58.662 -2.305 18292 7724 1 13 . 1 1 36 36 GLU CB C 36 26.612 26.612 29.817 -3.205 18292 7725 1 13 . 1 1 36 36 GLU H H 36 7.523 7.523 8.171 -0.648 18292 7726 1 13 . 1 1 37 37 CYS N N 37 116.308 116.308 118.233 -1.925 18292 7727 1 13 . 1 1 37 37 CYS HA H 37 4.141 4.141 4.256 -0.115 18292 7728 1 13 . 1 1 37 37 CYS C C 37 175.888 175.888 177.207 -1.319 18292 7729 1 13 . 1 1 37 37 CYS CA C 37 61.915 61.915 64.519 -2.604 18292 7730 1 13 . 1 1 37 37 CYS CB C 37 24.513 24.513 27.203 -2.690 18292 7731 1 13 . 1 1 37 37 CYS H H 37 8.754 8.754 8.685 0.069 18292 7732 1 13 . 1 1 38 38 ASN N N 38 121.598 121.598 118.337 3.261 18292 7733 1 13 . 1 1 38 38 ASN HA H 38 4.452 4.452 4.564 -0.112 18292 7734 1 13 . 1 1 38 38 ASN C C 38 174.340 174.340 176.707 -2.367 18292 7735 1 13 . 1 1 38 38 ASN CA C 38 52.249 52.249 55.440 -3.191 18292 7736 1 13 . 1 1 38 38 ASN CB C 38 34.488 34.488 38.108 -3.620 18292 7737 1 13 . 1 1 38 38 ASN H H 38 8.800 8.800 8.543 0.257 18292 7738 1 13 . 1 1 39 39 LYS N N 39 119.297 119.297 117.576 1.721 18292 7739 1 13 . 1 1 39 39 LYS HA H 39 4.002 4.002 3.973 0.029 18292 7740 1 13 . 1 1 39 39 LYS C C 39 174.388 174.388 177.567 -3.179 18292 7741 1 13 . 1 1 39 39 LYS CA C 39 55.239 55.239 58.171 -2.932 18292 7742 1 13 . 1 1 39 39 LYS CB C 39 29.477 29.477 32.236 -2.759 18292 7743 1 13 . 1 1 39 39 LYS H H 39 7.427 7.427 7.563 -0.136 18292 7744 1 13 . 1 1 40 40 HIS N N 40 114.421 114.421 115.692 -1.271 18292 7745 1 13 . 1 1 40 40 HIS HA H 40 4.896 4.896 4.670 0.226 18292 7746 1 13 . 1 1 40 40 HIS C C 40 171.895 171.895 176.699 -4.804 18292 7747 1 13 . 1 1 40 40 HIS CA C 40 51.758 51.758 57.674 -5.916 18292 7748 1 13 . 1 1 40 40 HIS CB C 40 28.775 28.775 31.352 -2.577 18292 7749 1 13 . 1 1 40 40 HIS H H 40 7.453 7.453 7.590 -0.138 18292 7750 1 13 . 1 1 41 41 GLY N N 41 106.587 106.587 104.344 2.243 18292 7751 1 13 . 1 1 41 41 GLY C C 41 171.376 171.376 174.052 -2.676 18292 7752 1 13 . 1 1 41 41 GLY CA C 41 42.388 42.388 44.942 -2.554 18292 7753 1 13 . 1 1 41 41 GLY H H 41 7.599 7.599 8.407 -0.808 18292 7754 1 13 . 1 1 42 42 GLY N N 42 107.066 107.066 109.456 -2.390 18292 7755 1 13 . 1 1 42 42 GLY C C 42 169.120 169.120 172.520 -3.400 18292 7756 1 13 . 1 1 42 42 GLY CA C 42 41.518 41.518 45.245 -3.727 18292 7757 1 13 . 1 1 42 42 GLY H H 42 7.942 7.942 8.138 -0.196 18292 7758 1 13 . 1 1 43 43 VAL N N 43 114.640 114.640 118.338 -3.698 18292 7759 1 13 . 1 1 43 43 VAL HA H 43 4.527 4.527 4.676 -0.149 18292 7760 1 13 . 1 1 43 43 VAL C C 43 169.861 169.861 174.774 -4.913 18292 7761 1 13 . 1 1 43 43 VAL CA C 43 58.404 58.404 60.236 -1.832 18292 7762 1 13 . 1 1 43 43 VAL CB C 43 31.692 31.692 35.222 -3.530 18292 7763 1 13 . 1 1 43 43 VAL H H 43 8.679 8.679 8.143 0.536 18292 7764 1 13 . 1 1 44 44 ILE N N 44 115.792 115.792 121.746 -5.954 18292 7765 1 13 . 1 1 44 44 ILE HA H 44 4.918 4.918 4.941 -0.023 18292 7766 1 13 . 1 1 44 44 ILE C C 44 172.246 172.246 175.184 -2.938 18292 7767 1 13 . 1 1 44 44 ILE CA C 44 57.770 57.770 60.940 -3.170 18292 7768 1 13 . 1 1 44 44 ILE CB C 44 37.197 37.197 40.182 -2.985 18292 7769 1 13 . 1 1 44 44 ILE H H 44 8.587 8.587 8.745 -0.158 18292 7770 1 13 . 1 1 45 45 HIS N N 45 122.684 122.684 117.761 4.923 18292 7771 1 13 . 1 1 45 45 HIS HA H 45 4.426 4.426 4.809 -0.383 18292 7772 1 13 . 1 1 45 45 HIS C C 45 168.452 168.452 172.854 -4.402 18292 7773 1 13 . 1 1 45 45 HIS CA C 45 55.548 55.548 56.040 -0.492 18292 7774 1 13 . 1 1 45 45 HIS CB C 45 31.632 31.632 34.575 -2.943 18292 7775 1 13 . 1 1 45 45 HIS H H 45 7.791 7.791 7.748 0.043 18292 7776 1 13 . 1 1 46 46 ILE N N 46 123.917 123.917 121.789 2.128 18292 7777 1 13 . 1 1 46 46 ILE HA H 46 5.120 5.120 4.879 0.241 18292 7778 1 13 . 1 1 46 46 ILE C C 46 170.171 170.171 173.567 -3.396 18292 7779 1 13 . 1 1 46 46 ILE CA C 46 56.063 56.063 60.063 -4.000 18292 7780 1 13 . 1 1 46 46 ILE CB C 46 39.753 39.753 42.392 -2.639 18292 7781 1 13 . 1 1 46 46 ILE H H 46 7.391 7.391 8.077 -0.686 18292 7782 1 13 . 1 1 47 47 TYR N N 47 125.750 125.750 126.000 -0.250 18292 7783 1 13 . 1 1 47 47 TYR HA H 47 4.370 4.370 4.655 -0.285 18292 7784 1 13 . 1 1 47 47 TYR C C 47 171.029 171.029 172.621 -1.592 18292 7785 1 13 . 1 1 47 47 TYR CA C 47 54.800 54.800 57.777 -2.977 18292 7786 1 13 . 1 1 47 47 TYR CB C 47 39.851 39.851 41.562 -1.711 18292 7787 1 13 . 1 1 47 47 TYR H H 47 9.055 9.055 8.643 0.412 18292 7788 1 13 . 1 1 48 48 VAL N N 48 129.720 129.720 129.359 0.361 18292 7789 1 13 . 1 1 48 48 VAL HA H 48 3.869 3.869 4.134 -0.265 18292 7790 1 13 . 1 1 48 48 VAL C C 48 170.949 170.949 173.716 -2.767 18292 7791 1 13 . 1 1 48 48 VAL CA C 48 59.328 59.328 60.516 -1.188 18292 7792 1 13 . 1 1 48 48 VAL CB C 48 29.022 29.022 33.374 -4.352 18292 7793 1 13 . 1 1 48 48 VAL H H 48 8.290 8.290 8.381 -0.091 18292 7794 1 13 . 1 1 49 49 ASP N N 49 125.287 125.287 127.480 -2.193 18292 7795 1 13 . 1 1 49 49 ASP HA H 49 4.703 4.703 4.380 0.323 18292 7796 1 13 . 1 1 49 49 ASP C C 49 173.851 173.851 175.898 -2.047 18292 7797 1 13 . 1 1 49 49 ASP CA C 49 50.349 50.349 54.421 -4.072 18292 7798 1 13 . 1 1 49 49 ASP CB C 49 38.139 38.139 42.449 -4.310 18292 7799 1 13 . 1 1 49 49 ASP H H 49 8.274 8.274 7.832 0.442 18292 7800 1 13 . 1 1 50 50 LYS N N 50 125.099 125.099 119.738 5.361 18292 7801 1 13 . 1 1 50 50 LYS HA H 50 4.096 4.096 4.101 -0.005 18292 7802 1 13 . 1 1 50 50 LYS C C 50 173.120 173.120 176.997 -3.877 18292 7803 1 13 . 1 1 50 50 LYS CA C 50 56.284 56.284 57.131 -0.847 18292 7804 1 13 . 1 1 50 50 LYS CB C 50 29.763 29.763 33.024 -3.261 18292 7805 1 13 . 1 1 50 50 LYS H H 50 8.090 8.090 8.651 -0.561 18292 7806 1 13 . 1 1 51 51 ASN N N 51 114.422 114.422 117.300 -2.878 18292 7807 1 13 . 1 1 51 51 ASN HA H 51 4.931 4.931 4.910 0.021 18292 7808 1 13 . 1 1 51 51 ASN C C 51 172.685 172.685 175.818 -3.133 18292 7809 1 13 . 1 1 51 51 ASN CA C 51 50.744 50.744 53.344 -2.600 18292 7810 1 13 . 1 1 51 51 ASN CB C 51 37.036 37.036 38.910 -1.874 18292 7811 1 13 . 1 1 51 51 ASN H H 51 8.272 8.272 8.285 -0.013 18292 7812 1 13 . 1 1 52 52 SER N N 52 115.013 115.013 115.658 -0.645 18292 7813 1 13 . 1 1 52 52 SER HA H 52 4.410 4.410 4.430 -0.020 18292 7814 1 13 . 1 1 52 52 SER C C 52 172.628 172.628 174.984 -2.356 18292 7815 1 13 . 1 1 52 52 SER CA C 52 55.035 55.035 58.583 -3.548 18292 7816 1 13 . 1 1 52 52 SER CB C 52 61.604 61.604 64.139 -2.535 18292 7817 1 13 . 1 1 52 52 SER H H 52 7.920 7.920 7.743 0.177 18292 7818 1 13 . 1 1 53 53 ALA N N 53 129.163 129.163 124.491 4.672 18292 7819 1 13 . 1 1 53 53 ALA HA H 53 4.088 4.088 4.568 -0.480 18292 7820 1 13 . 1 1 53 53 ALA C C 53 175.951 175.951 176.570 -0.619 18292 7821 1 13 . 1 1 53 53 ALA CA C 53 51.409 51.409 52.762 -1.353 18292 7822 1 13 . 1 1 53 53 ALA CB C 53 15.878 15.878 19.745 -3.867 18292 7823 1 13 . 1 1 53 53 ALA H H 53 8.837 8.837 8.706 0.131 18292 7824 1 13 . 1 1 54 54 GLN N N 54 113.081 113.081 119.129 -6.048 18292 7825 1 13 . 1 1 54 54 GLN HA H 54 4.202 4.202 4.318 -0.116 18292 7826 1 13 . 1 1 54 54 GLN C C 54 173.388 173.388 174.758 -1.370 18292 7827 1 13 . 1 1 54 54 GLN CA C 54 52.993 52.993 54.735 -1.742 18292 7828 1 13 . 1 1 54 54 GLN CB C 54 26.360 26.360 29.766 -3.406 18292 7829 1 13 . 1 1 54 54 GLN H H 54 7.836 7.836 7.440 0.396 18292 7830 1 13 . 1 1 55 55 GLY N N 55 108.967 108.967 108.022 0.945 18292 7831 1 13 . 1 1 55 55 GLY CA C 55 45.087 45.087 44.626 0.461 18292 7832 1 13 . 1 1 55 55 GLY H H 55 7.191 7.191 8.315 -1.124 18292 7833 1 13 . 1 1 56 56 ASN N N 56 114.505 114.505 117.948 -3.443 18292 7834 1 13 . 1 1 56 56 ASN HA H 56 5.520 5.520 4.863 0.657 18292 7835 1 13 . 1 1 56 56 ASN C C 56 172.166 172.166 174.696 -2.530 18292 7836 1 13 . 1 1 56 56 ASN CA C 56 50.462 50.462 53.743 -3.281 18292 7837 1 13 . 1 1 56 56 ASN CB C 56 38.400 38.400 39.883 -1.483 18292 7838 1 13 . 1 1 56 56 ASN H H 56 7.614 7.614 7.577 0.037 18292 7839 1 13 . 1 1 57 57 VAL N N 57 119.859 119.859 119.737 0.122 18292 7840 1 13 . 1 1 57 57 VAL HA H 57 4.692 4.692 4.304 0.388 18292 7841 1 13 . 1 1 57 57 VAL C C 57 170.667 170.667 173.787 -3.120 18292 7842 1 13 . 1 1 57 57 VAL CA C 57 58.163 58.163 60.755 -2.592 18292 7843 1 13 . 1 1 57 57 VAL CB C 57 33.663 33.663 36.075 -2.412 18292 7844 1 13 . 1 1 57 57 VAL H H 57 8.354 8.354 7.722 0.632 18292 7845 1 13 . 1 1 58 58 TYR N N 58 128.478 128.478 123.123 5.355 18292 7846 1 13 . 1 1 58 58 TYR HA H 58 4.937 4.937 4.704 0.233 18292 7847 1 13 . 1 1 58 58 TYR C C 58 170.605 170.605 174.475 -3.870 18292 7848 1 13 . 1 1 58 58 TYR CA C 58 55.354 55.354 57.495 -2.140 18292 7849 1 13 . 1 1 58 58 TYR CB C 58 37.775 37.775 41.159 -3.384 18292 7850 1 13 . 1 1 58 58 TYR H H 58 9.275 9.275 8.998 0.277 18292 7851 1 13 . 1 1 59 59 VAL N N 59 123.117 123.117 120.969 2.148 18292 7852 1 13 . 1 1 59 59 VAL HA H 59 4.462 4.462 4.695 -0.233 18292 7853 1 13 . 1 1 59 59 VAL C C 59 170.875 170.875 173.755 -2.880 18292 7854 1 13 . 1 1 59 59 VAL CA C 59 58.527 58.527 60.550 -2.023 18292 7855 1 13 . 1 1 59 59 VAL CB C 59 32.611 32.611 35.668 -3.057 18292 7856 1 13 . 1 1 59 59 VAL H H 59 8.860 8.860 8.195 0.665 18292 7857 1 13 . 1 1 60 60 LYS N N 60 123.266 123.266 124.639 -1.373 18292 7858 1 13 . 1 1 60 60 LYS HA H 60 4.745 4.745 5.076 -0.331 18292 7859 1 13 . 1 1 60 60 LYS C C 60 173.399 173.399 174.847 -1.448 18292 7860 1 13 . 1 1 60 60 LYS CA C 60 52.207 52.207 55.104 -2.897 18292 7861 1 13 . 1 1 60 60 LYS CB C 60 34.244 34.244 36.255 -2.011 18292 7862 1 13 . 1 1 60 60 LYS H H 60 8.668 8.668 8.674 -0.006 18292 7863 1 13 . 1 1 61 61 CYS N N 61 125.267 125.267 124.751 0.516 18292 7864 1 13 . 1 1 61 61 CYS HA H 61 4.740 4.740 4.970 -0.230 18292 7865 1 13 . 1 1 61 61 CYS CA C 61 56.393 56.393 56.748 -0.355 18292 7866 1 13 . 1 1 61 61 CYS CB C 61 27.416 27.416 29.905 -2.489 18292 7867 1 13 . 1 1 61 61 CYS H H 61 9.207 9.207 8.907 0.300 18292 7868 1 13 . 1 1 62 62 PRO HA H 62 4.266 4.266 4.359 -0.093 18292 7869 1 13 . 1 1 62 62 PRO C C 62 171.443 171.443 175.812 -4.369 18292 7870 1 13 . 1 1 62 62 PRO CA C 62 61.167 61.167 64.270 -3.103 18292 7871 1 13 . 1 1 62 62 PRO CB C 62 29.450 29.450 32.237 -2.787 18292 7872 1 13 . 1 1 63 63 SER N N 63 108.558 108.558 110.622 -2.064 18292 7873 1 13 . 1 1 63 63 SER HA H 63 4.606 4.606 4.624 -0.018 18292 7874 1 13 . 1 1 63 63 SER C C 63 171.147 171.147 174.881 -3.734 18292 7875 1 13 . 1 1 63 63 SER CA C 63 53.259 53.259 56.584 -3.325 18292 7876 1 13 . 1 1 63 63 SER CB C 63 63.378 63.378 66.251 -2.873 18292 7877 1 13 . 1 1 63 63 SER H H 63 6.990 6.990 7.493 -0.503 18292 7878 1 13 . 1 1 64 64 ILE N N 64 122.885 122.885 123.447 -0.562 18292 7879 1 13 . 1 1 64 64 ILE HA H 64 3.462 3.462 3.768 -0.306 18292 7880 1 13 . 1 1 64 64 ILE C C 64 174.204 174.204 177.912 -3.708 18292 7881 1 13 . 1 1 64 64 ILE CA C 64 62.955 62.955 65.301 -2.346 18292 7882 1 13 . 1 1 64 64 ILE CB C 64 35.297 35.297 37.839 -2.542 18292 7883 1 13 . 1 1 64 64 ILE H H 64 8.786 8.786 8.669 0.117 18292 7884 1 13 . 1 1 65 65 ALA N N 65 120.653 120.653 122.382 -1.729 18292 7885 1 13 . 1 1 65 65 ALA HA H 65 3.890 3.890 4.009 -0.119 18292 7886 1 13 . 1 1 65 65 ALA C C 65 177.926 177.926 179.430 -1.504 18292 7887 1 13 . 1 1 65 65 ALA CA C 65 52.772 52.772 55.344 -2.572 18292 7888 1 13 . 1 1 65 65 ALA CB C 65 15.552 15.552 17.667 -2.115 18292 7889 1 13 . 1 1 65 65 ALA H H 65 8.287 8.287 8.346 -0.059 18292 7890 1 13 . 1 1 66 66 ALA N N 66 119.802 119.802 120.162 -0.360 18292 7891 1 13 . 1 1 66 66 ALA HA H 66 4.344 4.344 3.967 0.377 18292 7892 1 13 . 1 1 66 66 ALA C C 66 176.063 176.063 178.954 -2.891 18292 7893 1 13 . 1 1 66 66 ALA CA C 66 52.108 52.108 54.700 -2.591 18292 7894 1 13 . 1 1 66 66 ALA CB C 66 16.106 16.106 18.261 -2.155 18292 7895 1 13 . 1 1 66 66 ALA H H 66 7.952 7.952 8.096 -0.144 18292 7896 1 13 . 1 1 67 67 ALA N N 67 121.626 121.626 122.779 -1.153 18292 7897 1 13 . 1 1 67 67 ALA HA H 67 4.398 4.398 3.864 0.534 18292 7898 1 13 . 1 1 67 67 ALA C C 67 175.824 175.824 179.305 -3.481 18292 7899 1 13 . 1 1 67 67 ALA CA C 67 53.135 53.135 54.506 -1.371 18292 7900 1 13 . 1 1 67 67 ALA CB C 67 17.020 17.020 18.294 -1.274 18292 7901 1 13 . 1 1 67 67 ALA H H 67 7.332 7.332 7.449 -0.117 18292 7902 1 13 . 1 1 68 68 ILE N N 68 117.793 117.793 119.581 -1.788 18292 7903 1 13 . 1 1 68 68 ILE HA H 68 4.185 4.185 3.450 0.735 18292 7904 1 13 . 1 1 68 68 ILE C C 68 176.163 176.163 177.931 -1.768 18292 7905 1 13 . 1 1 68 68 ILE CA C 68 61.323 61.323 65.303 -3.980 18292 7906 1 13 . 1 1 68 68 ILE CB C 68 36.657 36.657 37.708 -1.051 18292 7907 1 13 . 1 1 68 68 ILE H H 68 8.655 8.655 8.416 0.239 18292 7908 1 13 . 1 1 69 69 ALA N N 69 119.051 119.051 120.962 -1.911 18292 7909 1 13 . 1 1 69 69 ALA HA H 69 3.836 3.836 3.754 0.082 18292 7910 1 13 . 1 1 69 69 ALA C C 69 177.325 177.325 178.943 -1.618 18292 7911 1 13 . 1 1 69 69 ALA CA C 69 51.781 51.781 54.978 -3.197 18292 7912 1 13 . 1 1 69 69 ALA CB C 69 15.767 15.767 17.809 -2.042 18292 7913 1 13 . 1 1 69 69 ALA H H 69 7.377 7.377 7.681 -0.304 18292 7914 1 13 . 1 1 70 70 ALA N N 70 121.378 121.378 121.566 -0.188 18292 7915 1 13 . 1 1 70 70 ALA HA H 70 3.544 3.544 3.617 -0.073 18292 7916 1 13 . 1 1 70 70 ALA C C 70 176.012 176.012 179.254 -3.242 18292 7917 1 13 . 1 1 70 70 ALA CA C 70 52.966 52.966 54.443 -1.477 18292 7918 1 13 . 1 1 70 70 ALA CB C 70 16.740 16.740 18.111 -1.371 18292 7919 1 13 . 1 1 70 70 ALA H H 70 7.798 7.798 7.693 0.105 18292 7920 1 13 . 1 1 71 71 VAL N N 71 119.944 119.944 118.841 1.103 18292 7921 1 13 . 1 1 71 71 VAL HA H 71 2.524 2.524 3.145 -0.621 18292 7922 1 13 . 1 1 71 71 VAL C C 71 175.408 175.408 177.948 -2.540 18292 7923 1 13 . 1 1 71 71 VAL CA C 71 64.993 64.993 66.926 -1.933 18292 7924 1 13 . 1 1 71 71 VAL CB C 71 28.184 28.184 30.754 -2.570 18292 7925 1 13 . 1 1 71 71 VAL H H 71 8.662 8.662 7.574 1.088 18292 7926 1 13 . 1 1 72 72 ASN N N 72 114.981 114.981 116.735 -1.754 18292 7927 1 13 . 1 1 72 72 ASN HA H 72 4.244 4.244 4.341 -0.097 18292 7928 1 13 . 1 1 72 72 ASN C C 72 174.490 174.490 176.740 -2.250 18292 7929 1 13 . 1 1 72 72 ASN CA C 72 52.776 52.776 55.777 -3.001 18292 7930 1 13 . 1 1 72 72 ASN CB C 72 35.394 35.394 38.225 -2.832 18292 7931 1 13 . 1 1 72 72 ASN H H 72 8.061 8.061 7.994 0.067 18292 7932 1 13 . 1 1 73 73 ALA N N 73 120.308 120.308 121.627 -1.319 18292 7933 1 13 . 1 1 73 73 ALA HA H 73 4.162 4.162 4.148 0.014 18292 7934 1 13 . 1 1 73 73 ALA C C 73 176.245 176.245 178.795 -2.550 18292 7935 1 13 . 1 1 73 73 ALA CA C 73 51.058 51.058 54.255 -3.197 18292 7936 1 13 . 1 1 73 73 ALA CB C 73 17.457 17.457 19.228 -1.771 18292 7937 1 13 . 1 1 73 73 ALA H H 73 7.230 7.230 7.516 -0.286 18292 7938 1 13 . 1 1 74 74 LEU N N 74 118.156 118.156 116.994 1.162 18292 7939 1 13 . 1 1 74 74 LEU HA H 74 4.021 4.021 4.118 -0.097 18292 7940 1 13 . 1 1 74 74 LEU C C 74 173.863 173.863 177.949 -4.086 18292 7941 1 13 . 1 1 74 74 LEU CA C 74 53.853 53.853 56.820 -2.967 18292 7942 1 13 . 1 1 74 74 LEU CB C 74 41.552 41.552 42.450 -0.898 18292 7943 1 13 . 1 1 74 74 LEU H H 74 7.856 7.856 7.583 0.273 18292 7944 1 13 . 1 1 75 75 HIS N N 75 117.126 117.126 117.793 -0.667 18292 7945 1 13 . 1 1 75 75 HIS HA H 75 3.830 3.830 4.166 -0.336 18292 7946 1 13 . 1 1 75 75 HIS C C 75 174.851 174.851 176.362 -1.511 18292 7947 1 13 . 1 1 75 75 HIS CA C 75 56.621 56.621 58.782 -2.161 18292 7948 1 13 . 1 1 75 75 HIS CB C 75 28.299 28.299 29.888 -1.589 18292 7949 1 13 . 1 1 75 75 HIS H H 75 8.434 8.434 8.016 0.418 18292 7950 1 13 . 1 1 76 76 GLY N N 76 116.761 116.761 115.228 1.533 18292 7951 1 13 . 1 1 76 76 GLY CA C 76 42.221 42.221 44.960 -2.739 18292 7952 1 13 . 1 1 76 76 GLY H H 76 8.418 8.418 8.697 -0.279 18292 7953 1 13 . 1 1 77 77 ARG N N 77 120.430 120.430 120.327 0.103 18292 7954 1 13 . 1 1 77 77 ARG HA H 77 4.248 4.248 4.401 -0.153 18292 7955 1 13 . 1 1 77 77 ARG C C 77 173.536 173.536 174.768 -1.232 18292 7956 1 13 . 1 1 77 77 ARG CA C 77 53.029 53.029 55.742 -2.713 18292 7957 1 13 . 1 1 77 77 ARG CB C 77 29.058 29.058 31.767 -2.709 18292 7958 1 13 . 1 1 77 77 ARG H H 77 7.385 7.385 7.611 -0.226 18292 7959 1 13 . 1 1 78 78 TRP N N 78 122.989 122.989 123.227 -0.238 18292 7960 1 13 . 1 1 78 78 TRP HA H 78 4.941 4.941 4.999 -0.058 18292 7961 1 13 . 1 1 78 78 TRP C C 78 173.888 173.888 175.907 -2.019 18292 7962 1 13 . 1 1 78 78 TRP CA C 78 54.234 54.234 56.776 -2.542 18292 7963 1 13 . 1 1 78 78 TRP CB C 78 26.923 26.923 29.957 -3.034 18292 7964 1 13 . 1 1 78 78 TRP H H 78 8.463 8.463 8.533 -0.070 18292 7965 1 13 . 1 1 79 79 PHE N N 79 126.899 126.899 123.813 3.086 18292 7966 1 13 . 1 1 79 79 PHE HA H 79 4.637 4.637 4.442 0.195 18292 7967 1 13 . 1 1 79 79 PHE C C 79 171.696 171.696 175.965 -4.269 18292 7968 1 13 . 1 1 79 79 PHE CA C 79 54.624 54.624 58.205 -3.581 18292 7969 1 13 . 1 1 79 79 PHE CB C 79 39.577 39.577 41.277 -1.700 18292 7970 1 13 . 1 1 79 79 PHE H H 79 9.500 9.500 8.879 0.621 18292 7971 1 13 . 1 1 80 80 ALA N N 80 130.285 130.285 124.938 5.347 18292 7972 1 13 . 1 1 80 80 ALA HA H 80 3.705 3.705 4.064 -0.359 18292 7973 1 13 . 1 1 80 80 ALA C C 80 174.560 174.560 177.001 -2.441 18292 7974 1 13 . 1 1 80 80 ALA CA C 80 49.993 49.993 52.914 -2.921 18292 7975 1 13 . 1 1 80 80 ALA CB C 80 14.479 14.479 17.284 -2.805 18292 7976 1 13 . 1 1 80 80 ALA H H 80 8.840 8.840 8.314 0.526 18292 7977 1 13 . 1 1 81 81 GLY N N 81 102.771 102.771 108.779 -6.008 18292 7978 1 13 . 1 1 81 81 GLY C C 81 171.087 171.087 173.641 -2.554 18292 7979 1 13 . 1 1 81 81 GLY CA C 81 42.891 42.891 45.051 -2.160 18292 7980 1 13 . 1 1 81 81 GLY H H 81 8.268 8.268 8.577 -0.309 18292 7981 1 13 . 1 1 82 82 LYS N N 82 120.307 120.307 118.855 1.452 18292 7982 1 13 . 1 1 82 82 LYS HA H 82 4.469 4.469 4.629 -0.160 18292 7983 1 13 . 1 1 82 82 LYS C C 82 170.688 170.688 174.244 -3.556 18292 7984 1 13 . 1 1 82 82 LYS CA C 82 52.029 52.029 54.370 -2.341 18292 7985 1 13 . 1 1 82 82 LYS CB C 82 32.776 32.776 34.991 -2.215 18292 7986 1 13 . 1 1 82 82 LYS H H 82 7.791 7.791 7.916 -0.125 18292 7987 1 13 . 1 1 83 83 MET N N 83 121.212 121.212 122.968 -1.756 18292 7988 1 13 . 1 1 83 83 MET HA H 83 3.871 3.871 3.939 -0.068 18292 7989 1 13 . 1 1 83 83 MET C C 83 173.474 173.474 175.236 -1.762 18292 7990 1 13 . 1 1 83 83 MET CA C 83 51.968 51.968 55.542 -3.574 18292 7991 1 13 . 1 1 83 83 MET CB C 83 30.275 30.275 32.379 -2.104 18292 7992 1 13 . 1 1 83 83 MET H H 83 7.953 7.953 8.404 -0.451 18292 7993 1 13 . 1 1 84 84 ILE N N 84 128.512 128.512 124.915 3.597 18292 7994 1 13 . 1 1 84 84 ILE HA H 84 4.230 4.230 4.485 -0.255 18292 7995 1 13 . 1 1 84 84 ILE C C 84 173.459 173.459 174.989 -1.530 18292 7996 1 13 . 1 1 84 84 ILE CA C 84 58.832 58.832 58.478 0.354 18292 7997 1 13 . 1 1 84 84 ILE CB C 84 36.088 36.088 38.650 -2.562 18292 7998 1 13 . 1 1 84 84 ILE H H 84 8.683 8.683 8.949 -0.266 18292 7999 1 13 . 1 1 85 85 THR N N 85 115.456 115.456 115.637 -0.181 18292 8000 1 13 . 1 1 85 85 THR HA H 85 4.825 4.825 5.240 -0.415 18292 8001 1 13 . 1 1 85 85 THR CA C 85 56.520 56.520 59.681 -3.161 18292 8002 1 13 . 1 1 85 85 THR CB C 85 68.803 68.803 72.227 -3.424 18292 8003 1 13 . 1 1 85 85 THR H H 85 7.318 7.318 7.863 -0.545 18292 8004 1 13 . 1 1 86 86 ALA N N 86 128.004 128.004 123.272 4.732 18292 8005 1 13 . 1 1 86 86 ALA HA H 86 5.542 5.542 5.256 0.286 18292 8006 1 13 . 1 1 86 86 ALA C C 86 173.070 173.070 175.425 -2.355 18292 8007 1 13 . 1 1 86 86 ALA CA C 86 47.491 47.491 50.275 -2.784 18292 8008 1 13 . 1 1 86 86 ALA CB C 86 22.241 22.241 22.066 0.175 18292 8009 1 13 . 1 1 86 86 ALA H H 86 10.712 10.712 7.908 2.804 18292 8010 1 13 . 1 1 87 87 ALA N N 87 122.902 122.902 120.803 2.099 18292 8011 1 13 . 1 1 87 87 ALA HA H 87 4.499 4.499 4.485 0.014 18292 8012 1 13 . 1 1 87 87 ALA C C 87 173.781 173.781 176.042 -2.261 18292 8013 1 13 . 1 1 87 87 ALA CA C 87 47.989 47.989 52.491 -4.502 18292 8014 1 13 . 1 1 87 87 ALA CB C 87 19.981 19.981 19.867 0.114 18292 8015 1 13 . 1 1 87 87 ALA H H 87 8.413 8.413 8.203 0.210 18292 8016 1 13 . 1 1 88 88 TYR N N 88 120.267 120.267 116.115 4.152 18292 8017 1 13 . 1 1 88 88 TYR HA H 88 4.723 4.723 4.383 0.340 18292 8018 1 13 . 1 1 88 88 TYR C C 88 173.615 173.615 174.670 -1.055 18292 8019 1 13 . 1 1 88 88 TYR CA C 88 57.556 57.556 59.174 -1.618 18292 8020 1 13 . 1 1 88 88 TYR CB C 88 36.474 36.474 37.855 -1.381 18292 8021 1 13 . 1 1 88 88 TYR H H 88 8.311 8.311 7.572 0.739 18292 8022 1 13 . 1 1 89 89 VAL N N 89 123.298 123.298 118.338 4.960 18292 8023 1 13 . 1 1 89 89 VAL HA H 89 4.696 4.696 4.590 0.106 18292 8024 1 13 . 1 1 89 89 VAL CA C 89 55.899 55.899 59.739 -3.840 18292 8025 1 13 . 1 1 89 89 VAL CB C 89 33.445 33.445 35.741 -2.296 18292 8026 1 13 . 1 1 89 89 VAL H H 89 8.420 8.420 8.478 -0.058 18292 8027 1 13 . 1 1 90 90 PRO HA H 90 4.450 4.450 4.577 -0.127 18292 8028 1 13 . 1 1 90 90 PRO CA C 90 60.310 60.310 63.256 -2.946 18292 8029 1 13 . 1 1 90 90 PRO CB C 90 30.489 30.489 31.762 -1.274 18292 8030 1 13 . 1 1 91 91 LEU N N 91 126.649 126.649 128.235 -1.586 18292 8031 1 13 . 1 1 91 91 LEU HA H 91 3.975 3.975 4.268 -0.293 18292 8032 1 13 . 1 1 91 91 LEU CA C 91 56.691 56.691 59.755 -3.064 18292 8033 1 13 . 1 1 91 91 LEU CB C 91 37.139 37.139 39.957 -2.818 18292 8034 1 13 . 1 1 91 91 LEU H H 91 8.997 8.997 8.807 0.190 18292 8035 1 13 . 1 1 92 92 PRO HA H 92 4.211 4.211 4.408 -0.197 18292 8036 1 13 . 1 1 92 92 PRO C C 92 177.175 177.175 179.020 -1.845 18292 8037 1 13 . 1 1 92 92 PRO CA C 92 63.104 63.104 66.521 -3.417 18292 8038 1 13 . 1 1 92 92 PRO CB C 92 27.973 27.973 31.111 -3.138 18292 8039 1 13 . 1 1 93 93 THR N N 93 112.839 112.839 116.005 -3.166 18292 8040 1 13 . 1 1 93 93 THR HA H 93 3.827 3.827 4.107 -0.280 18292 8041 1 13 . 1 1 93 93 THR C C 93 172.669 172.669 176.433 -3.764 18292 8042 1 13 . 1 1 93 93 THR CA C 93 63.096 63.096 66.964 -3.868 18292 8043 1 13 . 1 1 93 93 THR CB C 93 65.968 65.968 68.670 -2.702 18292 8044 1 13 . 1 1 93 93 THR H H 93 6.528 6.528 7.687 -1.159 18292 8045 1 13 . 1 1 94 94 TYR N N 94 125.195 125.195 123.243 1.952 18292 8046 1 13 . 1 1 94 94 TYR HA H 94 3.515 3.515 4.042 -0.527 18292 8047 1 13 . 1 1 94 94 TYR C C 94 174.953 174.953 177.711 -2.758 18292 8048 1 13 . 1 1 94 94 TYR CA C 94 60.012 60.012 62.333 -2.321 18292 8049 1 13 . 1 1 94 94 TYR CB C 94 37.588 37.588 38.495 -0.907 18292 8050 1 13 . 1 1 94 94 TYR H H 94 8.263 8.263 8.706 -0.443 18292 8051 1 13 . 1 1 95 95 HIS N N 95 114.994 114.994 117.030 -2.036 18292 8052 1 13 . 1 1 95 95 HIS HA H 95 4.187 4.187 4.647 -0.460 18292 8053 1 13 . 1 1 95 95 HIS C C 95 173.780 173.780 177.180 -3.400 18292 8054 1 13 . 1 1 95 95 HIS CA C 95 53.471 53.471 59.665 -6.194 18292 8055 1 13 . 1 1 95 95 HIS CB C 95 26.528 26.528 29.621 -3.093 18292 8056 1 13 . 1 1 95 95 HIS H H 95 8.529 8.529 8.171 0.358 18292 8057 1 13 . 1 1 96 96 ASN N N 96 116.599 116.599 116.963 -0.364 18292 8058 1 13 . 1 1 96 96 ASN HA H 96 4.315 4.315 4.463 -0.148 18292 8059 1 13 . 1 1 96 96 ASN C C 96 175.849 175.849 177.038 -1.189 18292 8060 1 13 . 1 1 96 96 ASN CA C 96 52.814 52.814 55.307 -2.493 18292 8061 1 13 . 1 1 96 96 ASN CB C 96 36.453 36.453 38.887 -2.434 18292 8062 1 13 . 1 1 96 96 ASN H H 96 7.343 7.343 8.054 -0.711 18292 8063 1 13 . 1 1 97 97 LEU N N 97 119.316 119.316 118.622 0.694 18292 8064 1 13 . 1 1 97 97 LEU HA H 97 3.406 3.406 3.711 -0.305 18292 8065 1 13 . 1 1 97 97 LEU CA C 97 54.399 54.399 56.793 -2.394 18292 8066 1 13 . 1 1 97 97 LEU CB C 97 39.614 39.614 42.054 -2.440 18292 8067 1 13 . 1 1 97 97 LEU H H 97 7.299 7.299 7.425 -0.126 18292 8068 1 13 . 1 1 98 98 PHE N N 98 113.688 113.688 114.402 -0.714 18292 8069 1 13 . 1 1 98 98 PHE HA H 98 4.696 4.696 4.948 -0.252 18292 8070 1 13 . 1 1 98 98 PHE CA C 98 54.399 54.399 54.390 0.009 18292 8071 1 13 . 1 1 98 98 PHE CB C 98 35.380 35.380 38.724 -3.344 18292 8072 1 13 . 1 1 98 98 PHE H H 98 7.795 7.795 7.851 -0.056 18292 8073 1 13 . 1 1 99 99 PRO HA H 99 4.430 4.430 4.602 -0.172 18292 8074 1 13 . 1 1 99 99 PRO C C 99 176.469 176.469 177.455 -0.986 18292 8075 1 13 . 1 1 99 99 PRO CA C 99 63.174 63.174 64.116 -0.942 18292 8076 1 13 . 1 1 99 99 PRO CB C 99 28.822 28.822 32.030 -3.208 18292 8077 1 13 . 1 1 100 100 ASP N N 100 115.482 115.482 117.918 -2.436 18292 8078 1 13 . 1 1 100 100 ASP HA H 100 4.306 4.306 4.602 -0.296 18292 8079 1 13 . 1 1 100 100 ASP C C 100 174.886 174.886 177.607 -2.721 18292 8080 1 13 . 1 1 100 100 ASP CA C 100 53.064 53.064 57.277 -4.213 18292 8081 1 13 . 1 1 100 100 ASP CB C 100 36.736 36.736 40.913 -4.177 18292 8082 1 13 . 1 1 100 100 ASP H H 100 8.897 8.897 8.585 0.312 18292 8083 1 13 . 1 1 101 101 SER N N 101 114.743 114.743 114.212 0.531 18292 8084 1 13 . 1 1 101 101 SER HA H 101 3.876 3.876 4.085 -0.209 18292 8085 1 13 . 1 1 101 101 SER C C 101 173.539 173.539 176.051 -2.512 18292 8086 1 13 . 1 1 101 101 SER CA C 101 58.183 58.183 60.842 -2.659 18292 8087 1 13 . 1 1 101 101 SER CB C 101 61.403 61.403 62.415 -1.012 18292 8088 1 13 . 1 1 101 101 SER H H 101 8.057 8.057 7.989 0.068 18292 8089 1 13 . 1 1 102 102 MET N N 102 122.103 122.103 117.909 4.194 18292 8090 1 13 . 1 1 102 102 MET HA H 102 3.340 3.340 4.752 -1.412 18292 8091 1 13 . 1 1 102 102 MET C C 102 174.488 174.488 176.808 -2.320 18292 8092 1 13 . 1 1 102 102 MET CA C 102 56.606 56.606 57.635 -1.029 18292 8093 1 13 . 1 1 102 102 MET CB C 102 31.312 31.312 32.611 -1.299 18292 8094 1 13 . 1 1 102 102 MET H H 102 7.319 7.319 7.879 -0.560 18292 8095 1 13 . 1 1 103 103 THR N N 103 104.780 104.780 110.498 -5.718 18292 8096 1 13 . 1 1 103 103 THR HA H 103 4.318 4.318 4.541 -0.223 18292 8097 1 13 . 1 1 103 103 THR C C 103 171.121 171.121 174.185 -3.064 18292 8098 1 13 . 1 1 103 103 THR CA C 103 57.203 57.203 60.737 -3.534 18292 8099 1 13 . 1 1 103 103 THR CB C 103 65.753 65.753 68.709 -2.956 18292 8100 1 13 . 1 1 103 103 THR H H 103 7.216 7.216 7.913 -0.697 18292 8101 1 13 . 1 1 104 104 ALA N N 104 125.795 125.795 125.451 0.344 18292 8102 1 13 . 1 1 104 104 ALA HA H 104 4.347 4.347 4.535 -0.188 18292 8103 1 13 . 1 1 104 104 ALA C C 104 174.370 174.370 177.675 -3.305 18292 8104 1 13 . 1 1 104 104 ALA CA C 104 50.244 50.244 52.196 -1.952 18292 8105 1 13 . 1 1 104 104 ALA CB C 104 16.077 16.077 17.930 -1.853 18292 8106 1 13 . 1 1 104 104 ALA H H 104 6.605 6.605 7.532 -0.927 18292 8107 1 13 . 1 1 105 105 THR N N 105 111.482 111.482 111.643 -0.161 18292 8108 1 13 . 1 1 105 105 THR HA H 105 4.390 4.390 4.176 0.214 18292 8109 1 13 . 1 1 105 105 THR C C 105 171.563 171.563 174.481 -2.918 18292 8110 1 13 . 1 1 105 105 THR CA C 105 58.977 58.977 62.540 -3.563 18292 8111 1 13 . 1 1 105 105 THR CB C 105 68.537 68.537 68.937 -0.400 18292 8112 1 13 . 1 1 105 105 THR H H 105 8.698 8.698 7.838 0.860 18292 8113 1 13 . 1 1 106 106 GLN N N 106 123.003 123.003 119.760 3.243 18292 8114 1 13 . 1 1 106 106 GLN HA H 106 4.294 4.294 4.519 -0.225 18292 8115 1 13 . 1 1 106 106 GLN C C 106 172.973 172.973 174.742 -1.769 18292 8116 1 13 . 1 1 106 106 GLN CA C 106 52.710 52.710 53.884 -1.174 18292 8117 1 13 . 1 1 106 106 GLN CB C 106 27.282 27.282 30.005 -2.723 18292 8118 1 13 . 1 1 106 106 GLN H H 106 7.944 7.944 7.626 0.318 18292 8119 1 13 . 1 1 107 107 LEU N N 107 124.765 124.765 125.373 -0.608 18292 8120 1 13 . 1 1 107 107 LEU HA H 107 4.328 4.328 4.517 -0.189 18292 8121 1 13 . 1 1 107 107 LEU C C 107 174.110 174.110 177.235 -3.125 18292 8122 1 13 . 1 1 107 107 LEU CA C 107 52.798 52.798 55.322 -2.524 18292 8123 1 13 . 1 1 107 107 LEU CB C 107 37.829 37.829 42.312 -4.482 18292 8124 1 13 . 1 1 107 107 LEU H H 107 8.390 8.390 8.682 -0.292 18292 8125 1 13 . 1 1 108 108 LEU N N 108 122.332 122.332 121.647 0.685 18292 8126 1 13 . 1 1 108 108 LEU HA H 108 4.259 4.259 4.647 -0.388 18292 8127 1 13 . 1 1 108 108 LEU C C 108 173.870 173.870 175.371 -1.501 18292 8128 1 13 . 1 1 108 108 LEU CA C 108 52.092 52.092 54.489 -2.397 18292 8129 1 13 . 1 1 108 108 LEU CB C 108 39.253 39.253 42.877 -3.624 18292 8130 1 13 . 1 1 108 108 LEU H H 108 8.480 8.480 8.624 -0.144 18292 8131 1 13 . 1 1 109 109 VAL N N 109 115.421 115.421 114.267 1.154 18292 8132 1 13 . 1 1 109 109 VAL HA H 109 4.444 4.444 4.601 -0.157 18292 8133 1 13 . 1 1 109 109 VAL CA C 109 55.640 55.640 58.299 -2.659 18292 8134 1 13 . 1 1 109 109 VAL CB C 109 31.153 31.153 33.126 -1.973 18292 8135 1 13 . 1 1 109 109 VAL H H 109 8.007 8.007 8.148 -0.141 18292 8136 1 13 . 1 1 110 110 PRO HA H 110 4.361 4.361 4.635 -0.274 18292 8137 1 13 . 1 1 110 110 PRO C C 110 173.778 173.778 176.284 -2.506 18292 8138 1 13 . 1 1 110 110 PRO CA C 110 59.737 59.737 62.348 -2.611 18292 8139 1 13 . 1 1 110 110 PRO CB C 110 29.710 29.710 32.554 -2.844 18292 8140 1 13 . 1 1 111 111 SER N N 111 120.434 120.434 117.303 3.131 18292 8141 1 13 . 1 1 111 111 SER HA H 111 4.139 4.139 4.340 -0.201 18292 8142 1 13 . 1 1 111 111 SER C C 111 172.475 172.475 174.715 -2.240 18292 8143 1 13 . 1 1 111 111 SER CA C 111 57.674 57.674 59.805 -2.131 18292 8144 1 13 . 1 1 111 111 SER CB C 111 60.580 60.580 64.236 -3.656 18292 8145 1 13 . 1 1 111 111 SER H H 111 9.945 9.945 9.117 0.828 18292 8146 1 13 . 1 1 112 112 ARG N N 112 121.013 121.013 120.029 0.984 18292 8147 1 13 . 1 1 112 112 ARG HA H 112 4.253 4.253 4.449 -0.196 18292 8148 1 13 . 1 1 112 112 ARG C C 112 172.216 172.216 173.721 -1.505 18292 8149 1 13 . 1 1 112 112 ARG CA C 112 53.071 53.071 56.487 -3.416 18292 8150 1 13 . 1 1 112 112 ARG CB C 112 27.963 27.963 31.401 -3.438 18292 8151 1 13 . 1 1 112 112 ARG H H 112 7.861 7.861 8.730 -0.869 18292 8152 1 14 . 1 1 2 2 GLN N N 2 125.719 125.719 122.584 3.135 18292 8153 1 14 . 1 1 2 2 GLN HA H 2 4.571 4.571 4.709 -0.138 18292 8154 1 14 . 1 1 2 2 GLN CA C 2 50.502 50.502 53.913 -3.411 18292 8155 1 14 . 1 1 2 2 GLN CB C 2 26.254 26.254 28.482 -2.228 18292 8156 1 14 . 1 1 2 2 GLN H H 2 8.471 8.471 8.005 0.466 18292 8157 1 14 . 1 1 3 3 PRO HA H 3 4.311 4.311 4.371 -0.060 18292 8158 1 14 . 1 1 3 3 PRO C C 3 173.634 173.634 175.728 -2.094 18292 8159 1 14 . 1 1 3 3 PRO CA C 3 60.349 60.349 63.092 -2.743 18292 8160 1 14 . 1 1 3 3 PRO CB C 3 29.678 29.678 31.049 -1.371 18292 8161 1 14 . 1 1 4 4 LEU N N 4 122.253 122.253 126.432 -4.179 18292 8162 1 14 . 1 1 4 4 LEU HA H 4 4.133 4.133 4.455 -0.322 18292 8163 1 14 . 1 1 4 4 LEU C C 4 172.946 172.946 175.383 -2.437 18292 8164 1 14 . 1 1 4 4 LEU CA C 4 51.900 51.900 54.334 -2.434 18292 8165 1 14 . 1 1 4 4 LEU CB C 4 39.711 39.711 42.082 -2.371 18292 8166 1 14 . 1 1 4 4 LEU H H 4 7.912 7.912 7.694 0.218 18292 8167 1 14 . 1 1 5 5 ALA N N 5 122.619 122.619 126.561 -3.942 18292 8168 1 14 . 1 1 5 5 ALA HA H 5 2.385 2.385 4.030 -1.645 18292 8169 1 14 . 1 1 5 5 ALA C C 5 174.164 174.164 176.835 -2.671 18292 8170 1 14 . 1 1 5 5 ALA CA C 5 49.205 49.205 52.159 -2.954 18292 8171 1 14 . 1 1 5 5 ALA CB C 5 17.058 17.058 18.422 -1.365 18292 8172 1 14 . 1 1 5 5 ALA H H 5 7.415 7.415 8.399 -0.984 18292 8173 1 14 . 1 1 6 6 THR N N 6 112.768 112.768 114.602 -1.834 18292 8174 1 14 . 1 1 6 6 THR HA H 6 4.393 4.393 4.642 -0.249 18292 8175 1 14 . 1 1 6 6 THR C C 6 168.908 168.908 174.540 -5.632 18292 8176 1 14 . 1 1 6 6 THR CA C 6 56.371 56.371 60.123 -3.752 18292 8177 1 14 . 1 1 6 6 THR CB C 6 68.874 68.874 71.803 -2.929 18292 8178 1 14 . 1 1 6 6 THR H H 6 6.601 6.601 7.876 -1.275 18292 8179 1 14 . 1 1 7 7 GLN N N 7 111.707 111.707 118.424 -6.717 18292 8180 1 14 . 1 1 7 7 GLN HA H 7 4.344 4.344 4.646 -0.302 18292 8181 1 14 . 1 1 7 7 GLN C C 7 171.068 171.068 174.704 -3.636 18292 8182 1 14 . 1 1 7 7 GLN CA C 7 53.795 53.795 55.318 -1.523 18292 8183 1 14 . 1 1 7 7 GLN CB C 7 28.252 28.252 28.105 0.147 18292 8184 1 14 . 1 1 7 7 GLN H H 7 8.547 8.547 8.819 -0.272 18292 8185 1 14 . 1 1 8 8 CYS N N 8 118.669 118.669 117.745 0.924 18292 8186 1 14 . 1 1 8 8 CYS HA H 8 5.389 5.389 4.867 0.522 18292 8187 1 14 . 1 1 8 8 CYS C C 8 171.026 171.026 173.414 -2.388 18292 8188 1 14 . 1 1 8 8 CYS CA C 8 53.652 53.652 57.581 -3.929 18292 8189 1 14 . 1 1 8 8 CYS CB C 8 29.416 29.416 30.765 -1.349 18292 8190 1 14 . 1 1 8 8 CYS H H 8 8.558 8.558 7.621 0.937 18292 8191 1 14 . 1 1 9 9 PHE N N 9 117.117 117.117 119.895 -2.778 18292 8192 1 14 . 1 1 9 9 PHE HA H 9 5.369 5.369 5.257 0.112 18292 8193 1 14 . 1 1 9 9 PHE C C 9 168.313 168.313 172.835 -4.522 18292 8194 1 14 . 1 1 9 9 PHE CA C 9 53.341 53.341 55.223 -1.882 18292 8195 1 14 . 1 1 9 9 PHE CB C 9 39.008 39.008 41.427 -2.419 18292 8196 1 14 . 1 1 9 9 PHE H H 9 9.533 9.533 8.193 1.340 18292 8197 1 14 . 1 1 10 10 GLN N N 10 118.344 118.344 115.462 2.882 18292 8198 1 14 . 1 1 10 10 GLN HA H 10 5.063 5.063 5.109 -0.046 18292 8199 1 14 . 1 1 10 10 GLN C C 10 173.280 173.280 174.014 -0.734 18292 8200 1 14 . 1 1 10 10 GLN CA C 10 50.242 50.242 54.306 -4.064 18292 8201 1 14 . 1 1 10 10 GLN CB C 10 30.263 30.263 32.833 -2.570 18292 8202 1 14 . 1 1 10 10 GLN H H 10 9.299 9.299 9.130 0.169 18292 8203 1 14 . 1 1 11 11 LEU N N 11 128.664 128.664 121.600 7.064 18292 8204 1 14 . 1 1 11 11 LEU HA H 11 5.474 5.474 5.086 0.388 18292 8205 1 14 . 1 1 11 11 LEU C C 11 173.987 173.987 177.258 -3.271 18292 8206 1 14 . 1 1 11 11 LEU CA C 11 50.153 50.153 53.451 -3.298 18292 8207 1 14 . 1 1 11 11 LEU CB C 11 41.779 41.779 45.118 -3.339 18292 8208 1 14 . 1 1 11 11 LEU H H 11 9.679 9.679 8.583 1.096 18292 8209 1 14 . 1 1 12 12 SER N N 12 115.661 115.661 115.821 -0.160 18292 8210 1 14 . 1 1 12 12 SER HA H 12 4.877 4.877 4.660 0.217 18292 8211 1 14 . 1 1 12 12 SER C C 12 170.086 170.086 172.500 -2.414 18292 8212 1 14 . 1 1 12 12 SER CA C 12 54.698 54.698 57.904 -3.206 18292 8213 1 14 . 1 1 12 12 SER CB C 12 63.054 63.054 63.082 -0.028 18292 8214 1 14 . 1 1 12 12 SER H H 12 8.717 8.717 8.144 0.573 18292 8215 1 14 . 1 1 13 13 ASN N N 13 114.812 114.812 118.923 -4.111 18292 8216 1 14 . 1 1 13 13 ASN HA H 13 4.165 4.165 4.579 -0.414 18292 8217 1 14 . 1 1 13 13 ASN C C 13 171.867 171.867 173.323 -1.456 18292 8218 1 14 . 1 1 13 13 ASN CA C 13 51.269 51.269 53.880 -2.611 18292 8219 1 14 . 1 1 13 13 ASN CB C 13 34.988 34.988 39.322 -4.334 18292 8220 1 14 . 1 1 13 13 ASN H H 13 8.563 8.563 8.058 0.505 18292 8221 1 14 . 1 1 14 14 MET N N 14 113.100 113.100 117.428 -4.328 18292 8222 1 14 . 1 1 14 14 MET HA H 14 4.258 4.258 4.259 -0.001 18292 8223 1 14 . 1 1 14 14 MET C C 14 171.935 171.935 173.818 -1.883 18292 8224 1 14 . 1 1 14 14 MET CA C 14 53.020 53.020 53.647 -0.627 18292 8225 1 14 . 1 1 14 14 MET CB C 14 29.746 29.746 34.385 -4.639 18292 8226 1 14 . 1 1 14 14 MET H H 14 8.261 8.261 7.617 0.644 18292 8227 1 14 . 1 1 15 15 PHE N N 15 108.769 108.769 112.119 -3.350 18292 8228 1 14 . 1 1 15 15 PHE HA H 15 4.485 4.485 4.855 -0.370 18292 8229 1 14 . 1 1 15 15 PHE C C 15 170.024 170.024 172.917 -2.893 18292 8230 1 14 . 1 1 15 15 PHE CA C 15 53.080 53.080 56.241 -3.161 18292 8231 1 14 . 1 1 15 15 PHE CB C 15 36.300 36.300 39.805 -3.505 18292 8232 1 14 . 1 1 15 15 PHE H H 15 6.804 6.804 6.974 -0.170 18292 8233 1 14 . 1 1 16 16 ASN N N 16 117.922 117.922 117.805 0.117 18292 8234 1 14 . 1 1 16 16 ASN HA H 16 4.932 4.932 5.308 -0.376 18292 8235 1 14 . 1 1 16 16 ASN CA C 16 47.510 47.510 51.255 -3.745 18292 8236 1 14 . 1 1 16 16 ASN CB C 16 36.512 36.512 40.325 -3.813 18292 8237 1 14 . 1 1 16 16 ASN H H 16 8.681 8.681 8.625 0.056 18292 8238 1 14 . 1 1 17 17 PRO HA H 17 4.102 4.102 4.608 -0.506 18292 8239 1 14 . 1 1 17 17 PRO C C 17 174.773 174.773 176.629 -1.856 18292 8240 1 14 . 1 1 17 17 PRO CA C 17 61.933 61.933 64.545 -2.612 18292 8241 1 14 . 1 1 17 17 PRO CB C 17 29.557 29.557 32.134 -2.577 18292 8242 1 14 . 1 1 18 18 GLN N N 18 116.462 116.462 116.281 0.181 18292 8243 1 14 . 1 1 18 18 GLN HA H 18 4.146 4.146 4.434 -0.288 18292 8244 1 14 . 1 1 18 18 GLN C C 18 174.423 174.423 175.937 -1.514 18292 8245 1 14 . 1 1 18 18 GLN CA C 18 54.067 54.067 55.609 -1.542 18292 8246 1 14 . 1 1 18 18 GLN CB C 18 26.326 26.326 29.145 -2.819 18292 8247 1 14 . 1 1 18 18 GLN H H 18 7.934 7.934 8.456 -0.522 18292 8248 1 14 . 1 1 19 19 THR N N 19 112.362 112.362 114.650 -2.288 18292 8249 1 14 . 1 1 19 19 THR HA H 19 4.176 4.176 4.241 -0.065 18292 8250 1 14 . 1 1 19 19 THR C C 19 171.908 171.908 173.558 -1.650 18292 8251 1 14 . 1 1 19 19 THR CA C 19 59.509 59.509 61.145 -1.636 18292 8252 1 14 . 1 1 19 19 THR CB C 19 66.360 66.360 67.248 -0.888 18292 8253 1 14 . 1 1 19 19 THR H H 19 7.723 7.723 7.598 0.125 18292 8254 1 14 . 1 1 20 20 GLU N N 20 120.326 120.326 121.213 -0.887 18292 8255 1 14 . 1 1 20 20 GLU HA H 20 3.658 3.658 4.007 -0.349 18292 8256 1 14 . 1 1 20 20 GLU C C 20 173.311 173.311 175.968 -2.657 18292 8257 1 14 . 1 1 20 20 GLU CA C 20 53.164 53.164 55.260 -2.096 18292 8258 1 14 . 1 1 20 20 GLU CB C 20 25.837 25.837 29.116 -3.279 18292 8259 1 14 . 1 1 20 20 GLU H H 20 7.312 7.312 7.800 -0.488 18292 8260 1 14 . 1 1 21 21 GLU N N 21 120.796 120.796 124.858 -4.062 18292 8261 1 14 . 1 1 21 21 GLU HA H 21 4.162 4.162 4.372 -0.210 18292 8262 1 14 . 1 1 21 21 GLU C C 21 173.747 173.747 175.941 -2.194 18292 8263 1 14 . 1 1 21 21 GLU CA C 21 53.873 53.873 55.601 -1.728 18292 8264 1 14 . 1 1 21 21 GLU CB C 21 28.445 28.445 31.033 -2.588 18292 8265 1 14 . 1 1 21 21 GLU H H 21 8.011 8.011 8.152 -0.141 18292 8266 1 14 . 1 1 22 22 GLU N N 22 121.370 121.370 118.921 2.449 18292 8267 1 14 . 1 1 22 22 GLU HA H 22 4.393 4.393 4.519 -0.126 18292 8268 1 14 . 1 1 22 22 GLU C C 22 173.536 173.536 177.088 -3.552 18292 8269 1 14 . 1 1 22 22 GLU CA C 22 52.982 52.982 55.794 -2.812 18292 8270 1 14 . 1 1 22 22 GLU CB C 22 28.012 28.012 30.238 -2.225 18292 8271 1 14 . 1 1 22 22 GLU H H 22 8.039 8.039 8.308 -0.269 18292 8272 1 14 . 1 1 23 23 VAL N N 23 123.340 123.340 121.110 2.230 18292 8273 1 14 . 1 1 23 23 VAL HA H 23 3.901 3.901 3.909 -0.008 18292 8274 1 14 . 1 1 23 23 VAL C C 23 175.077 175.077 175.240 -0.163 18292 8275 1 14 . 1 1 23 23 VAL CA C 23 61.540 61.540 63.806 -2.266 18292 8276 1 14 . 1 1 23 23 VAL CB C 23 29.361 29.361 29.561 -0.200 18292 8277 1 14 . 1 1 23 23 VAL H H 23 8.447 8.447 8.367 0.080 18292 8278 1 14 . 1 1 24 24 GLY N N 24 114.476 114.476 115.608 -1.132 18292 8279 1 14 . 1 1 24 24 GLY C C 24 173.717 173.717 174.676 -0.959 18292 8280 1 14 . 1 1 24 24 GLY CA C 24 42.667 42.667 45.757 -3.090 18292 8281 1 14 . 1 1 24 24 GLY H H 24 9.087 9.087 8.540 0.547 18292 8282 1 14 . 1 1 25 25 TRP N N 25 121.382 121.382 121.347 0.035 18292 8283 1 14 . 1 1 25 25 TRP HA H 25 4.214 4.214 4.385 -0.171 18292 8284 1 14 . 1 1 25 25 TRP C C 25 174.056 174.056 175.477 -1.421 18292 8285 1 14 . 1 1 25 25 TRP CA C 25 56.093 56.093 57.696 -1.603 18292 8286 1 14 . 1 1 25 25 TRP CB C 25 25.016 25.016 28.736 -3.720 18292 8287 1 14 . 1 1 26 26 ASP N N 26 118.789 118.789 121.820 -3.031 18292 8288 1 14 . 1 1 26 26 ASP HA H 26 3.261 3.261 4.148 -0.887 18292 8289 1 14 . 1 1 26 26 ASP C C 26 174.709 174.709 177.761 -3.052 18292 8290 1 14 . 1 1 26 26 ASP CA C 26 52.705 52.705 56.980 -4.275 18292 8291 1 14 . 1 1 26 26 ASP CB C 26 34.503 34.503 40.300 -5.797 18292 8292 1 14 . 1 1 26 26 ASP H H 26 7.939 7.939 7.931 0.008 18292 8293 1 14 . 1 1 27 27 THR N N 27 118.934 118.934 115.671 3.263 18292 8294 1 14 . 1 1 27 27 THR HA H 27 3.552 3.552 4.038 -0.486 18292 8295 1 14 . 1 1 27 27 THR C C 27 172.390 172.390 176.538 -4.148 18292 8296 1 14 . 1 1 27 27 THR CA C 27 63.307 63.307 66.785 -3.478 18292 8297 1 14 . 1 1 27 27 THR CB C 27 65.331 65.331 68.422 -3.091 18292 8298 1 14 . 1 1 27 27 THR H H 27 7.103 7.103 7.891 -0.788 18292 8299 1 14 . 1 1 28 28 GLU N N 28 120.484 120.484 121.224 -0.740 18292 8300 1 14 . 1 1 28 28 GLU HA H 28 3.978 3.978 4.271 -0.293 18292 8301 1 14 . 1 1 28 28 GLU C C 28 175.447 175.447 179.106 -3.659 18292 8302 1 14 . 1 1 28 28 GLU CA C 28 56.760 56.760 58.850 -2.090 18292 8303 1 14 . 1 1 28 28 GLU CB C 28 26.418 26.418 28.897 -2.479 18292 8304 1 14 . 1 1 28 28 GLU H H 28 7.473 7.473 7.984 -0.511 18292 8305 1 14 . 1 1 29 29 ILE N N 29 116.961 116.961 120.646 -3.685 18292 8306 1 14 . 1 1 29 29 ILE HA H 29 3.773 3.773 3.866 -0.093 18292 8307 1 14 . 1 1 29 29 ILE C C 29 174.605 174.605 177.963 -3.358 18292 8308 1 14 . 1 1 29 29 ILE CA C 29 61.243 61.243 65.350 -4.107 18292 8309 1 14 . 1 1 29 29 ILE CB C 29 35.267 35.267 37.996 -2.729 18292 8310 1 14 . 1 1 29 29 ILE H H 29 7.113 7.113 7.639 -0.526 18292 8311 1 14 . 1 1 30 30 LYS N N 30 118.457 118.457 120.355 -1.898 18292 8312 1 14 . 1 1 30 30 LYS HA H 30 3.430 3.430 3.932 -0.502 18292 8313 1 14 . 1 1 30 30 LYS C C 30 174.886 174.886 178.492 -3.606 18292 8314 1 14 . 1 1 30 30 LYS CA C 30 57.872 57.872 59.903 -2.031 18292 8315 1 14 . 1 1 30 30 LYS CB C 30 29.680 29.680 32.162 -2.482 18292 8316 1 14 . 1 1 30 30 LYS H H 30 7.480 7.480 7.860 -0.380 18292 8317 1 14 . 1 1 31 31 ASP N N 31 118.630 118.630 119.005 -0.375 18292 8318 1 14 . 1 1 31 31 ASP HA H 31 4.233 4.233 4.324 -0.091 18292 8319 1 14 . 1 1 31 31 ASP C C 31 175.558 175.558 177.695 -2.137 18292 8320 1 14 . 1 1 31 31 ASP CA C 31 55.137 55.137 57.814 -2.677 18292 8321 1 14 . 1 1 31 31 ASP CB C 31 36.829 36.829 40.658 -3.829 18292 8322 1 14 . 1 1 31 31 ASP H H 31 8.334 8.334 8.327 0.007 18292 8323 1 14 . 1 1 32 32 ASP N N 32 120.576 120.576 119.304 1.272 18292 8324 1 14 . 1 1 32 32 ASP HA H 32 4.277 4.277 4.529 -0.252 18292 8325 1 14 . 1 1 32 32 ASP C C 32 176.966 176.966 178.935 -1.969 18292 8326 1 14 . 1 1 32 32 ASP CA C 32 54.829 54.829 57.030 -2.201 18292 8327 1 14 . 1 1 32 32 ASP CB C 32 37.331 37.331 40.886 -3.555 18292 8328 1 14 . 1 1 32 32 ASP H H 32 8.189 8.189 7.734 0.455 18292 8329 1 14 . 1 1 33 33 VAL N N 33 121.083 121.083 119.446 1.637 18292 8330 1 14 . 1 1 33 33 VAL HA H 33 3.444 3.444 3.825 -0.381 18292 8331 1 14 . 1 1 33 33 VAL C C 33 175.529 175.529 177.898 -2.369 18292 8332 1 14 . 1 1 33 33 VAL CA C 33 64.511 64.511 65.546 -1.035 18292 8333 1 14 . 1 1 33 33 VAL CB C 33 28.920 28.920 31.578 -2.658 18292 8334 1 14 . 1 1 33 33 VAL H H 33 8.069 8.069 7.484 0.585 18292 8335 1 14 . 1 1 34 34 ILE N N 34 122.145 122.145 120.860 1.285 18292 8336 1 14 . 1 1 34 34 ILE HA H 34 3.272 3.272 3.758 -0.486 18292 8337 1 14 . 1 1 34 34 ILE C C 34 174.723 174.723 179.110 -4.387 18292 8338 1 14 . 1 1 34 34 ILE CA C 34 63.723 63.723 65.106 -1.383 18292 8339 1 14 . 1 1 34 34 ILE CB C 34 35.949 35.949 37.593 -1.644 18292 8340 1 14 . 1 1 34 34 ILE H H 34 8.887 8.887 8.222 0.665 18292 8341 1 14 . 1 1 35 35 GLU N N 35 117.927 117.927 120.605 -2.678 18292 8342 1 14 . 1 1 35 35 GLU HA H 35 3.830 3.830 3.938 -0.108 18292 8343 1 14 . 1 1 35 35 GLU C C 35 176.747 176.747 177.999 -1.252 18292 8344 1 14 . 1 1 35 35 GLU CA C 35 57.183 57.183 59.872 -2.689 18292 8345 1 14 . 1 1 35 35 GLU CB C 35 26.969 26.969 29.557 -2.588 18292 8346 1 14 . 1 1 35 35 GLU H H 35 8.565 8.565 8.490 0.075 18292 8347 1 14 . 1 1 36 36 GLU N N 36 117.299 117.299 117.710 -0.411 18292 8348 1 14 . 1 1 36 36 GLU HA H 36 4.012 4.012 4.258 -0.246 18292 8349 1 14 . 1 1 36 36 GLU C C 36 176.604 176.604 179.438 -2.834 18292 8350 1 14 . 1 1 36 36 GLU CA C 36 56.357 56.357 58.828 -2.471 18292 8351 1 14 . 1 1 36 36 GLU CB C 36 26.612 26.612 29.960 -3.348 18292 8352 1 14 . 1 1 36 36 GLU H H 36 7.523 7.523 7.829 -0.306 18292 8353 1 14 . 1 1 37 37 CYS N N 37 116.308 116.308 118.850 -2.542 18292 8354 1 14 . 1 1 37 37 CYS HA H 37 4.141 4.141 4.164 -0.023 18292 8355 1 14 . 1 1 37 37 CYS C C 37 175.888 175.888 176.367 -0.479 18292 8356 1 14 . 1 1 37 37 CYS CA C 37 61.915 61.915 61.423 0.492 18292 8357 1 14 . 1 1 37 37 CYS CB C 37 24.513 24.513 26.881 -2.368 18292 8358 1 14 . 1 1 37 37 CYS H H 37 8.754 8.754 8.144 0.610 18292 8359 1 14 . 1 1 38 38 ASN N N 38 121.598 121.598 117.909 3.689 18292 8360 1 14 . 1 1 38 38 ASN HA H 38 4.452 4.452 4.416 0.036 18292 8361 1 14 . 1 1 38 38 ASN C C 38 174.340 174.340 176.183 -1.843 18292 8362 1 14 . 1 1 38 38 ASN CA C 38 52.249 52.249 55.504 -3.255 18292 8363 1 14 . 1 1 38 38 ASN CB C 38 34.488 34.488 38.302 -3.814 18292 8364 1 14 . 1 1 38 38 ASN H H 38 8.800 8.800 7.906 0.894 18292 8365 1 14 . 1 1 39 39 LYS N N 39 119.297 119.297 117.005 2.292 18292 8366 1 14 . 1 1 39 39 LYS HA H 39 4.002 4.002 4.241 -0.239 18292 8367 1 14 . 1 1 39 39 LYS C C 39 174.388 174.388 176.977 -2.589 18292 8368 1 14 . 1 1 39 39 LYS CA C 39 55.239 55.239 57.194 -1.955 18292 8369 1 14 . 1 1 39 39 LYS CB C 39 29.477 29.477 32.849 -3.372 18292 8370 1 14 . 1 1 39 39 LYS H H 39 7.427 7.427 7.623 -0.196 18292 8371 1 14 . 1 1 40 40 HIS N N 40 114.421 114.421 113.783 0.638 18292 8372 1 14 . 1 1 40 40 HIS HA H 40 4.896 4.896 4.792 0.104 18292 8373 1 14 . 1 1 40 40 HIS C C 40 171.895 171.895 175.776 -3.881 18292 8374 1 14 . 1 1 40 40 HIS CA C 40 51.758 51.758 55.358 -3.600 18292 8375 1 14 . 1 1 40 40 HIS CB C 40 28.775 28.775 31.577 -2.802 18292 8376 1 14 . 1 1 40 40 HIS H H 40 7.453 7.453 7.610 -0.157 18292 8377 1 14 . 1 1 41 41 GLY N N 41 106.587 106.587 105.975 0.612 18292 8378 1 14 . 1 1 41 41 GLY C C 41 171.376 171.376 174.386 -3.010 18292 8379 1 14 . 1 1 41 41 GLY CA C 41 42.388 42.388 44.901 -2.514 18292 8380 1 14 . 1 1 41 41 GLY H H 41 7.599 7.599 7.467 0.132 18292 8381 1 14 . 1 1 42 42 GLY N N 42 107.066 107.066 109.412 -2.346 18292 8382 1 14 . 1 1 42 42 GLY C C 42 169.120 169.120 172.463 -3.343 18292 8383 1 14 . 1 1 42 42 GLY CA C 42 41.518 41.518 44.880 -3.362 18292 8384 1 14 . 1 1 42 42 GLY H H 42 7.942 7.942 7.621 0.321 18292 8385 1 14 . 1 1 43 43 VAL N N 43 114.640 114.640 118.954 -4.314 18292 8386 1 14 . 1 1 43 43 VAL HA H 43 4.527 4.527 4.510 0.017 18292 8387 1 14 . 1 1 43 43 VAL C C 43 169.861 169.861 175.087 -5.226 18292 8388 1 14 . 1 1 43 43 VAL CA C 43 58.404 58.404 60.123 -1.719 18292 8389 1 14 . 1 1 43 43 VAL CB C 43 31.692 31.692 35.300 -3.608 18292 8390 1 14 . 1 1 43 43 VAL H H 43 8.679 8.679 8.260 0.419 18292 8391 1 14 . 1 1 44 44 ILE N N 44 115.792 115.792 121.973 -6.181 18292 8392 1 14 . 1 1 44 44 ILE HA H 44 4.918 4.918 4.899 0.019 18292 8393 1 14 . 1 1 44 44 ILE C C 44 172.246 172.246 174.881 -2.635 18292 8394 1 14 . 1 1 44 44 ILE CA C 44 57.770 57.770 60.779 -3.009 18292 8395 1 14 . 1 1 44 44 ILE CB C 44 37.197 37.197 39.859 -2.662 18292 8396 1 14 . 1 1 44 44 ILE H H 44 8.587 8.587 8.451 0.136 18292 8397 1 14 . 1 1 45 45 HIS N N 45 122.684 122.684 117.766 4.918 18292 8398 1 14 . 1 1 45 45 HIS HA H 45 4.426 4.426 4.802 -0.376 18292 8399 1 14 . 1 1 45 45 HIS C C 45 168.452 168.452 172.688 -4.236 18292 8400 1 14 . 1 1 45 45 HIS CA C 45 55.548 55.548 56.095 -0.547 18292 8401 1 14 . 1 1 45 45 HIS CB C 45 31.632 31.632 34.447 -2.815 18292 8402 1 14 . 1 1 45 45 HIS H H 45 7.791 7.791 7.695 0.096 18292 8403 1 14 . 1 1 46 46 ILE N N 46 123.917 123.917 122.866 1.051 18292 8404 1 14 . 1 1 46 46 ILE HA H 46 5.120 5.120 4.683 0.437 18292 8405 1 14 . 1 1 46 46 ILE C C 46 170.171 170.171 173.324 -3.153 18292 8406 1 14 . 1 1 46 46 ILE CA C 46 56.063 56.063 60.053 -3.990 18292 8407 1 14 . 1 1 46 46 ILE CB C 46 39.753 39.753 42.112 -2.360 18292 8408 1 14 . 1 1 46 46 ILE H H 46 7.391 7.391 8.144 -0.753 18292 8409 1 14 . 1 1 47 47 TYR N N 47 125.750 125.750 127.076 -1.326 18292 8410 1 14 . 1 1 47 47 TYR HA H 47 4.370 4.370 4.880 -0.510 18292 8411 1 14 . 1 1 47 47 TYR C C 47 171.029 171.029 173.630 -2.601 18292 8412 1 14 . 1 1 47 47 TYR CA C 47 54.800 54.800 56.082 -1.282 18292 8413 1 14 . 1 1 47 47 TYR CB C 47 39.851 39.851 40.511 -0.660 18292 8414 1 14 . 1 1 47 47 TYR H H 47 9.055 9.055 9.190 -0.135 18292 8415 1 14 . 1 1 48 48 VAL N N 48 129.720 129.720 129.808 -0.088 18292 8416 1 14 . 1 1 48 48 VAL HA H 48 3.869 3.869 3.944 -0.075 18292 8417 1 14 . 1 1 48 48 VAL C C 48 170.949 170.949 174.819 -3.870 18292 8418 1 14 . 1 1 48 48 VAL CA C 48 59.328 59.328 63.096 -3.768 18292 8419 1 14 . 1 1 48 48 VAL CB C 48 29.022 29.022 31.807 -2.785 18292 8420 1 14 . 1 1 48 48 VAL H H 48 8.290 8.290 8.693 -0.403 18292 8421 1 14 . 1 1 49 49 ASP N N 49 125.287 125.287 127.023 -1.736 18292 8422 1 14 . 1 1 49 49 ASP HA H 49 4.703 4.703 4.545 0.158 18292 8423 1 14 . 1 1 49 49 ASP C C 49 173.851 173.851 176.120 -2.269 18292 8424 1 14 . 1 1 49 49 ASP CA C 49 50.349 50.349 53.351 -3.002 18292 8425 1 14 . 1 1 49 49 ASP CB C 49 38.139 38.139 42.974 -4.835 18292 8426 1 14 . 1 1 49 49 ASP H H 49 8.274 8.274 8.300 -0.026 18292 8427 1 14 . 1 1 50 50 LYS N N 50 125.099 125.099 119.335 5.764 18292 8428 1 14 . 1 1 50 50 LYS HA H 50 4.096 4.096 4.448 -0.352 18292 8429 1 14 . 1 1 50 50 LYS C C 50 173.120 173.120 177.267 -4.147 18292 8430 1 14 . 1 1 50 50 LYS CA C 50 56.284 56.284 57.376 -1.092 18292 8431 1 14 . 1 1 50 50 LYS CB C 50 29.763 29.763 33.542 -3.779 18292 8432 1 14 . 1 1 50 50 LYS H H 50 8.090 8.090 8.606 -0.516 18292 8433 1 14 . 1 1 51 51 ASN N N 51 114.422 114.422 122.767 -8.345 18292 8434 1 14 . 1 1 51 51 ASN HA H 51 4.931 4.931 4.880 0.051 18292 8435 1 14 . 1 1 51 51 ASN C C 51 172.685 172.685 174.826 -2.141 18292 8436 1 14 . 1 1 51 51 ASN CA C 51 50.744 50.744 53.555 -2.811 18292 8437 1 14 . 1 1 51 51 ASN CB C 51 37.036 37.036 37.923 -0.887 18292 8438 1 14 . 1 1 51 51 ASN H H 51 8.272 8.272 8.755 -0.483 18292 8439 1 14 . 1 1 52 52 SER N N 52 115.013 115.013 116.289 -1.276 18292 8440 1 14 . 1 1 52 52 SER HA H 52 4.410 4.410 4.618 -0.208 18292 8441 1 14 . 1 1 52 52 SER C C 52 172.628 172.628 174.044 -1.416 18292 8442 1 14 . 1 1 52 52 SER CA C 52 55.035 55.035 57.794 -2.759 18292 8443 1 14 . 1 1 52 52 SER CB C 52 61.604 61.604 64.876 -3.272 18292 8444 1 14 . 1 1 52 52 SER H H 52 7.920 7.920 8.004 -0.084 18292 8445 1 14 . 1 1 53 53 ALA N N 53 129.163 129.163 121.663 7.500 18292 8446 1 14 . 1 1 53 53 ALA HA H 53 4.088 4.088 4.593 -0.505 18292 8447 1 14 . 1 1 53 53 ALA C C 53 175.951 175.951 177.269 -1.318 18292 8448 1 14 . 1 1 53 53 ALA CA C 53 51.409 51.409 52.731 -1.322 18292 8449 1 14 . 1 1 53 53 ALA CB C 53 15.878 15.878 20.328 -4.450 18292 8450 1 14 . 1 1 53 53 ALA H H 53 8.837 8.837 8.356 0.481 18292 8451 1 14 . 1 1 54 54 GLN N N 54 113.081 113.081 116.673 -3.592 18292 8452 1 14 . 1 1 54 54 GLN HA H 54 4.202 4.202 4.394 -0.192 18292 8453 1 14 . 1 1 54 54 GLN C C 54 173.388 173.388 175.375 -1.987 18292 8454 1 14 . 1 1 54 54 GLN CA C 54 52.993 52.993 54.298 -1.305 18292 8455 1 14 . 1 1 54 54 GLN CB C 54 26.360 26.360 29.033 -2.673 18292 8456 1 14 . 1 1 54 54 GLN H H 54 7.836 7.836 7.899 -0.063 18292 8457 1 14 . 1 1 55 55 GLY N N 55 108.967 108.967 108.741 0.226 18292 8458 1 14 . 1 1 55 55 GLY CA C 55 45.087 45.087 44.763 0.324 18292 8459 1 14 . 1 1 55 55 GLY H H 55 7.191 7.191 7.959 -0.768 18292 8460 1 14 . 1 1 56 56 ASN N N 56 114.505 114.505 118.230 -3.725 18292 8461 1 14 . 1 1 56 56 ASN HA H 56 5.520 5.520 4.903 0.617 18292 8462 1 14 . 1 1 56 56 ASN C C 56 172.166 172.166 174.558 -2.392 18292 8463 1 14 . 1 1 56 56 ASN CA C 56 50.462 50.462 53.748 -3.287 18292 8464 1 14 . 1 1 56 56 ASN CB C 56 38.400 38.400 40.395 -1.995 18292 8465 1 14 . 1 1 56 56 ASN H H 56 7.614 7.614 7.426 0.188 18292 8466 1 14 . 1 1 57 57 VAL N N 57 119.859 119.859 119.710 0.149 18292 8467 1 14 . 1 1 57 57 VAL HA H 57 4.692 4.692 4.508 0.184 18292 8468 1 14 . 1 1 57 57 VAL C C 57 170.667 170.667 174.124 -3.457 18292 8469 1 14 . 1 1 57 57 VAL CA C 57 58.163 58.163 60.994 -2.831 18292 8470 1 14 . 1 1 57 57 VAL CB C 57 33.663 33.663 36.102 -2.439 18292 8471 1 14 . 1 1 57 57 VAL H H 57 8.354 8.354 7.618 0.736 18292 8472 1 14 . 1 1 58 58 TYR N N 58 128.478 128.478 122.489 5.989 18292 8473 1 14 . 1 1 58 58 TYR HA H 58 4.937 4.937 5.401 -0.464 18292 8474 1 14 . 1 1 58 58 TYR C C 58 170.605 170.605 174.289 -3.684 18292 8475 1 14 . 1 1 58 58 TYR CA C 58 55.354 55.354 56.633 -1.280 18292 8476 1 14 . 1 1 58 58 TYR CB C 58 37.775 37.775 42.147 -4.372 18292 8477 1 14 . 1 1 58 58 TYR H H 58 9.275 9.275 8.986 0.289 18292 8478 1 14 . 1 1 59 59 VAL N N 59 123.117 123.117 118.482 4.635 18292 8479 1 14 . 1 1 59 59 VAL HA H 59 4.462 4.462 4.680 -0.218 18292 8480 1 14 . 1 1 59 59 VAL C C 59 170.875 170.875 173.405 -2.530 18292 8481 1 14 . 1 1 59 59 VAL CA C 59 58.527 58.527 60.017 -1.490 18292 8482 1 14 . 1 1 59 59 VAL CB C 59 32.611 32.611 35.942 -3.331 18292 8483 1 14 . 1 1 59 59 VAL H H 59 8.860 8.860 8.843 0.017 18292 8484 1 14 . 1 1 60 60 LYS N N 60 123.266 123.266 124.976 -1.710 18292 8485 1 14 . 1 1 60 60 LYS HA H 60 4.745 4.745 4.847 -0.102 18292 8486 1 14 . 1 1 60 60 LYS C C 60 173.399 173.399 175.268 -1.869 18292 8487 1 14 . 1 1 60 60 LYS CA C 60 52.207 52.207 55.158 -2.951 18292 8488 1 14 . 1 1 60 60 LYS CB C 60 34.244 34.244 35.420 -1.176 18292 8489 1 14 . 1 1 60 60 LYS H H 60 8.668 8.668 8.808 -0.140 18292 8490 1 14 . 1 1 61 61 CYS N N 61 125.267 125.267 125.136 0.131 18292 8491 1 14 . 1 1 61 61 CYS HA H 61 4.740 4.740 4.942 -0.202 18292 8492 1 14 . 1 1 61 61 CYS CA C 61 56.393 56.393 55.331 1.062 18292 8493 1 14 . 1 1 61 61 CYS CB C 61 27.416 27.416 28.529 -1.113 18292 8494 1 14 . 1 1 61 61 CYS H H 61 9.207 9.207 8.790 0.417 18292 8495 1 14 . 1 1 62 62 PRO HA H 62 4.266 4.266 4.390 -0.124 18292 8496 1 14 . 1 1 62 62 PRO C C 62 171.443 171.443 176.262 -4.819 18292 8497 1 14 . 1 1 62 62 PRO CA C 62 61.167 61.167 64.457 -3.290 18292 8498 1 14 . 1 1 62 62 PRO CB C 62 29.450 29.450 32.287 -2.837 18292 8499 1 14 . 1 1 63 63 SER N N 63 108.558 108.558 111.275 -2.717 18292 8500 1 14 . 1 1 63 63 SER HA H 63 4.606 4.606 4.742 -0.136 18292 8501 1 14 . 1 1 63 63 SER C C 63 171.147 171.147 174.067 -2.920 18292 8502 1 14 . 1 1 63 63 SER CA C 63 53.259 53.259 56.761 -3.502 18292 8503 1 14 . 1 1 63 63 SER CB C 63 63.378 63.378 66.796 -3.418 18292 8504 1 14 . 1 1 63 63 SER H H 63 6.990 6.990 7.623 -0.633 18292 8505 1 14 . 1 1 64 64 ILE N N 64 122.885 122.885 124.746 -1.861 18292 8506 1 14 . 1 1 64 64 ILE HA H 64 3.462 3.462 3.790 -0.328 18292 8507 1 14 . 1 1 64 64 ILE C C 64 174.204 174.204 177.753 -3.549 18292 8508 1 14 . 1 1 64 64 ILE CA C 64 62.955 62.955 65.402 -2.447 18292 8509 1 14 . 1 1 64 64 ILE CB C 64 35.297 35.297 38.070 -2.773 18292 8510 1 14 . 1 1 64 64 ILE H H 64 8.786 8.786 9.220 -0.434 18292 8511 1 14 . 1 1 65 65 ALA N N 65 120.653 120.653 122.581 -1.928 18292 8512 1 14 . 1 1 65 65 ALA HA H 65 3.890 3.890 4.074 -0.184 18292 8513 1 14 . 1 1 65 65 ALA C C 65 177.926 177.926 179.353 -1.427 18292 8514 1 14 . 1 1 65 65 ALA CA C 65 52.772 52.772 55.162 -2.390 18292 8515 1 14 . 1 1 65 65 ALA CB C 65 15.552 15.552 17.682 -2.130 18292 8516 1 14 . 1 1 65 65 ALA H H 65 8.287 8.287 8.312 -0.025 18292 8517 1 14 . 1 1 66 66 ALA N N 66 119.802 119.802 121.228 -1.426 18292 8518 1 14 . 1 1 66 66 ALA HA H 66 4.344 4.344 4.037 0.307 18292 8519 1 14 . 1 1 66 66 ALA C C 66 176.063 176.063 179.156 -3.093 18292 8520 1 14 . 1 1 66 66 ALA CA C 66 52.108 52.108 54.750 -2.642 18292 8521 1 14 . 1 1 66 66 ALA CB C 66 16.106 16.106 18.474 -2.368 18292 8522 1 14 . 1 1 66 66 ALA H H 66 7.952 7.952 7.780 0.172 18292 8523 1 14 . 1 1 67 67 ALA N N 67 121.626 121.626 121.460 0.166 18292 8524 1 14 . 1 1 67 67 ALA HA H 67 4.398 4.398 3.770 0.628 18292 8525 1 14 . 1 1 67 67 ALA C C 67 175.824 175.824 179.214 -3.390 18292 8526 1 14 . 1 1 67 67 ALA CA C 67 53.135 53.135 54.852 -1.717 18292 8527 1 14 . 1 1 67 67 ALA CB C 67 17.020 17.020 18.290 -1.270 18292 8528 1 14 . 1 1 67 67 ALA H H 67 7.332 7.332 7.524 -0.192 18292 8529 1 14 . 1 1 68 68 ILE N N 68 117.793 117.793 120.200 -2.407 18292 8530 1 14 . 1 1 68 68 ILE HA H 68 4.185 4.185 3.808 0.377 18292 8531 1 14 . 1 1 68 68 ILE C C 68 176.163 176.163 178.307 -2.144 18292 8532 1 14 . 1 1 68 68 ILE CA C 68 61.323 61.323 65.220 -3.897 18292 8533 1 14 . 1 1 68 68 ILE CB C 68 36.657 36.657 37.887 -1.230 18292 8534 1 14 . 1 1 68 68 ILE H H 68 8.655 8.655 8.210 0.445 18292 8535 1 14 . 1 1 69 69 ALA N N 69 119.051 119.051 120.943 -1.892 18292 8536 1 14 . 1 1 69 69 ALA HA H 69 3.836 3.836 3.875 -0.039 18292 8537 1 14 . 1 1 69 69 ALA C C 69 177.325 177.325 179.297 -1.972 18292 8538 1 14 . 1 1 69 69 ALA CA C 69 51.781 51.781 55.068 -3.287 18292 8539 1 14 . 1 1 69 69 ALA CB C 69 15.767 15.767 17.912 -2.145 18292 8540 1 14 . 1 1 69 69 ALA H H 69 7.377 7.377 7.566 -0.189 18292 8541 1 14 . 1 1 70 70 ALA N N 70 121.378 121.378 121.545 -0.167 18292 8542 1 14 . 1 1 70 70 ALA HA H 70 3.544 3.544 3.863 -0.319 18292 8543 1 14 . 1 1 70 70 ALA C C 70 176.012 176.012 179.360 -3.348 18292 8544 1 14 . 1 1 70 70 ALA CA C 70 52.966 52.966 54.689 -1.723 18292 8545 1 14 . 1 1 70 70 ALA CB C 70 16.740 16.740 17.938 -1.198 18292 8546 1 14 . 1 1 70 70 ALA H H 70 7.798 7.798 7.717 0.081 18292 8547 1 14 . 1 1 71 71 VAL N N 71 119.944 119.944 118.194 1.750 18292 8548 1 14 . 1 1 71 71 VAL HA H 71 2.524 2.524 3.219 -0.695 18292 8549 1 14 . 1 1 71 71 VAL C C 71 175.408 175.408 178.230 -2.822 18292 8550 1 14 . 1 1 71 71 VAL CA C 71 64.993 64.993 66.169 -1.176 18292 8551 1 14 . 1 1 71 71 VAL CB C 71 28.184 28.184 30.474 -2.290 18292 8552 1 14 . 1 1 71 71 VAL H H 71 8.662 8.662 8.087 0.575 18292 8553 1 14 . 1 1 72 72 ASN N N 72 114.981 114.981 117.886 -2.905 18292 8554 1 14 . 1 1 72 72 ASN HA H 72 4.244 4.244 4.411 -0.167 18292 8555 1 14 . 1 1 72 72 ASN C C 72 174.490 174.490 176.537 -2.047 18292 8556 1 14 . 1 1 72 72 ASN CA C 72 52.776 52.776 55.570 -2.794 18292 8557 1 14 . 1 1 72 72 ASN CB C 72 35.394 35.394 38.108 -2.714 18292 8558 1 14 . 1 1 72 72 ASN H H 72 8.061 8.061 8.230 -0.169 18292 8559 1 14 . 1 1 73 73 ALA N N 73 120.308 120.308 121.129 -0.821 18292 8560 1 14 . 1 1 73 73 ALA HA H 73 4.162 4.162 4.135 0.027 18292 8561 1 14 . 1 1 73 73 ALA C C 73 176.245 176.245 179.270 -3.025 18292 8562 1 14 . 1 1 73 73 ALA CA C 73 51.058 51.058 54.422 -3.364 18292 8563 1 14 . 1 1 73 73 ALA CB C 73 17.457 17.457 19.339 -1.882 18292 8564 1 14 . 1 1 73 73 ALA H H 73 7.230 7.230 7.782 -0.552 18292 8565 1 14 . 1 1 74 74 LEU N N 74 118.156 118.156 117.603 0.553 18292 8566 1 14 . 1 1 74 74 LEU HA H 74 4.021 4.021 4.097 -0.076 18292 8567 1 14 . 1 1 74 74 LEU C C 74 173.863 173.863 177.496 -3.633 18292 8568 1 14 . 1 1 74 74 LEU CA C 74 53.853 53.853 56.865 -3.013 18292 8569 1 14 . 1 1 74 74 LEU CB C 74 41.552 41.552 42.497 -0.945 18292 8570 1 14 . 1 1 74 74 LEU H H 74 7.856 7.856 7.692 0.164 18292 8571 1 14 . 1 1 75 75 HIS N N 75 117.126 117.126 118.082 -0.956 18292 8572 1 14 . 1 1 75 75 HIS HA H 75 3.830 3.830 4.123 -0.293 18292 8573 1 14 . 1 1 75 75 HIS C C 75 174.851 174.851 176.188 -1.337 18292 8574 1 14 . 1 1 75 75 HIS CA C 75 56.621 56.621 58.546 -1.925 18292 8575 1 14 . 1 1 75 75 HIS CB C 75 28.299 28.299 29.448 -1.149 18292 8576 1 14 . 1 1 75 75 HIS H H 75 8.434 8.434 7.946 0.488 18292 8577 1 14 . 1 1 76 76 GLY N N 76 116.761 116.761 115.909 0.852 18292 8578 1 14 . 1 1 76 76 GLY CA C 76 42.221 42.221 44.597 -2.376 18292 8579 1 14 . 1 1 76 76 GLY H H 76 8.418 8.418 8.656 -0.238 18292 8580 1 14 . 1 1 77 77 ARG N N 77 120.430 120.430 120.042 0.388 18292 8581 1 14 . 1 1 77 77 ARG HA H 77 4.248 4.248 4.239 0.009 18292 8582 1 14 . 1 1 77 77 ARG C C 77 173.536 173.536 175.110 -1.574 18292 8583 1 14 . 1 1 77 77 ARG CA C 77 53.029 53.029 56.596 -3.567 18292 8584 1 14 . 1 1 77 77 ARG CB C 77 29.058 29.058 31.209 -2.151 18292 8585 1 14 . 1 1 77 77 ARG H H 77 7.385 7.385 7.789 -0.404 18292 8586 1 14 . 1 1 78 78 TRP N N 78 122.989 122.989 121.013 1.976 18292 8587 1 14 . 1 1 78 78 TRP HA H 78 4.941 4.941 5.071 -0.130 18292 8588 1 14 . 1 1 78 78 TRP C C 78 173.888 173.888 176.407 -2.519 18292 8589 1 14 . 1 1 78 78 TRP CA C 78 54.234 54.234 56.698 -2.464 18292 8590 1 14 . 1 1 78 78 TRP CB C 78 26.923 26.923 30.068 -3.145 18292 8591 1 14 . 1 1 78 78 TRP H H 78 8.463 8.463 8.449 0.014 18292 8592 1 14 . 1 1 79 79 PHE N N 79 126.899 126.899 124.112 2.787 18292 8593 1 14 . 1 1 79 79 PHE HA H 79 4.637 4.637 4.363 0.274 18292 8594 1 14 . 1 1 79 79 PHE C C 79 171.696 171.696 177.398 -5.702 18292 8595 1 14 . 1 1 79 79 PHE CA C 79 54.624 54.624 58.303 -3.679 18292 8596 1 14 . 1 1 79 79 PHE CB C 79 39.577 39.577 40.871 -1.294 18292 8597 1 14 . 1 1 79 79 PHE H H 79 9.500 9.500 8.730 0.770 18292 8598 1 14 . 1 1 80 80 ALA N N 80 130.285 130.285 124.673 5.612 18292 8599 1 14 . 1 1 80 80 ALA HA H 80 3.705 3.705 4.085 -0.380 18292 8600 1 14 . 1 1 80 80 ALA C C 80 174.560 174.560 177.763 -3.203 18292 8601 1 14 . 1 1 80 80 ALA CA C 80 49.993 49.993 54.099 -4.106 18292 8602 1 14 . 1 1 80 80 ALA CB C 80 14.479 14.479 18.471 -3.992 18292 8603 1 14 . 1 1 80 80 ALA H H 80 8.840 8.840 8.374 0.466 18292 8604 1 14 . 1 1 81 81 GLY N N 81 102.771 102.771 102.928 -0.157 18292 8605 1 14 . 1 1 81 81 GLY C C 81 171.087 171.087 173.519 -2.432 18292 8606 1 14 . 1 1 81 81 GLY CA C 81 42.891 42.891 45.298 -2.407 18292 8607 1 14 . 1 1 81 81 GLY H H 81 8.268 8.268 8.404 -0.136 18292 8608 1 14 . 1 1 82 82 LYS N N 82 120.307 120.307 118.931 1.376 18292 8609 1 14 . 1 1 82 82 LYS HA H 82 4.469 4.469 4.693 -0.224 18292 8610 1 14 . 1 1 82 82 LYS C C 82 170.688 170.688 174.302 -3.614 18292 8611 1 14 . 1 1 82 82 LYS CA C 82 52.029 52.029 54.694 -2.665 18292 8612 1 14 . 1 1 82 82 LYS CB C 82 32.776 32.776 36.123 -3.347 18292 8613 1 14 . 1 1 82 82 LYS H H 82 7.791 7.791 7.961 -0.170 18292 8614 1 14 . 1 1 83 83 MET N N 83 121.212 121.212 119.620 1.592 18292 8615 1 14 . 1 1 83 83 MET HA H 83 3.871 3.871 3.837 0.034 18292 8616 1 14 . 1 1 83 83 MET C C 83 173.474 173.474 175.223 -1.749 18292 8617 1 14 . 1 1 83 83 MET CA C 83 51.968 51.968 54.394 -2.426 18292 8618 1 14 . 1 1 83 83 MET CB C 83 30.275 30.275 33.130 -2.855 18292 8619 1 14 . 1 1 83 83 MET H H 83 7.953 7.953 8.118 -0.165 18292 8620 1 14 . 1 1 84 84 ILE N N 84 128.512 128.512 123.135 5.377 18292 8621 1 14 . 1 1 84 84 ILE HA H 84 4.230 4.230 4.171 0.059 18292 8622 1 14 . 1 1 84 84 ILE C C 84 173.459 173.459 175.047 -1.588 18292 8623 1 14 . 1 1 84 84 ILE CA C 84 58.832 58.832 59.116 -0.284 18292 8624 1 14 . 1 1 84 84 ILE CB C 84 36.088 36.088 37.760 -1.672 18292 8625 1 14 . 1 1 84 84 ILE H H 84 8.683 8.683 8.639 0.044 18292 8626 1 14 . 1 1 85 85 THR N N 85 115.456 115.456 115.794 -0.338 18292 8627 1 14 . 1 1 85 85 THR HA H 85 4.825 4.825 4.609 0.216 18292 8628 1 14 . 1 1 85 85 THR CA C 85 56.520 56.520 59.795 -3.276 18292 8629 1 14 . 1 1 85 85 THR CB C 85 68.803 68.803 71.836 -3.033 18292 8630 1 14 . 1 1 85 85 THR H H 85 7.318 7.318 8.195 -0.877 18292 8631 1 14 . 1 1 86 86 ALA N N 86 128.004 128.004 123.132 4.872 18292 8632 1 14 . 1 1 86 86 ALA HA H 86 5.542 5.542 5.525 0.017 18292 8633 1 14 . 1 1 86 86 ALA C C 86 173.070 173.070 175.589 -2.519 18292 8634 1 14 . 1 1 86 86 ALA CA C 86 47.491 47.491 50.000 -2.509 18292 8635 1 14 . 1 1 86 86 ALA CB C 86 22.241 22.241 22.319 -0.078 18292 8636 1 14 . 1 1 86 86 ALA H H 86 10.712 10.712 8.102 2.610 18292 8637 1 14 . 1 1 87 87 ALA N N 87 122.902 122.902 120.971 1.931 18292 8638 1 14 . 1 1 87 87 ALA HA H 87 4.499 4.499 4.965 -0.466 18292 8639 1 14 . 1 1 87 87 ALA C C 87 173.781 173.781 175.189 -1.408 18292 8640 1 14 . 1 1 87 87 ALA CA C 87 47.989 47.989 51.772 -3.783 18292 8641 1 14 . 1 1 87 87 ALA CB C 87 19.981 19.981 22.001 -2.020 18292 8642 1 14 . 1 1 87 87 ALA H H 87 8.413 8.413 8.631 -0.218 18292 8643 1 14 . 1 1 88 88 TYR N N 88 120.267 120.267 121.363 -1.096 18292 8644 1 14 . 1 1 88 88 TYR HA H 88 4.723 4.723 4.857 -0.134 18292 8645 1 14 . 1 1 88 88 TYR C C 88 173.615 173.615 176.851 -3.236 18292 8646 1 14 . 1 1 88 88 TYR CA C 88 57.556 57.556 58.937 -1.381 18292 8647 1 14 . 1 1 88 88 TYR CB C 88 36.474 36.474 38.861 -2.387 18292 8648 1 14 . 1 1 88 88 TYR H H 88 8.311 8.311 8.875 -0.564 18292 8649 1 14 . 1 1 89 89 VAL N N 89 123.298 123.298 119.262 4.036 18292 8650 1 14 . 1 1 89 89 VAL HA H 89 4.696 4.696 4.534 0.162 18292 8651 1 14 . 1 1 89 89 VAL CA C 89 55.899 55.899 59.404 -3.505 18292 8652 1 14 . 1 1 89 89 VAL CB C 89 33.445 33.445 32.481 0.964 18292 8653 1 14 . 1 1 89 89 VAL H H 89 8.420 8.420 8.470 -0.050 18292 8654 1 14 . 1 1 90 90 PRO HA H 90 4.450 4.450 4.599 -0.149 18292 8655 1 14 . 1 1 90 90 PRO CA C 90 60.310 60.310 62.923 -2.613 18292 8656 1 14 . 1 1 90 90 PRO CB C 90 30.489 30.489 30.858 -0.369 18292 8657 1 14 . 1 1 91 91 LEU N N 91 126.649 126.649 126.685 -0.036 18292 8658 1 14 . 1 1 91 91 LEU HA H 91 3.975 3.975 4.263 -0.288 18292 8659 1 14 . 1 1 91 91 LEU CA C 91 56.691 56.691 59.831 -3.140 18292 8660 1 14 . 1 1 91 91 LEU CB C 91 37.139 37.139 40.109 -2.970 18292 8661 1 14 . 1 1 91 91 LEU H H 91 8.997 8.997 8.088 0.909 18292 8662 1 14 . 1 1 92 92 PRO HA H 92 4.211 4.211 4.319 -0.108 18292 8663 1 14 . 1 1 92 92 PRO C C 92 177.175 177.175 177.358 -0.183 18292 8664 1 14 . 1 1 92 92 PRO CA C 92 63.104 63.104 65.122 -2.018 18292 8665 1 14 . 1 1 92 92 PRO CB C 92 27.973 27.973 31.083 -3.110 18292 8666 1 14 . 1 1 93 93 THR N N 93 112.839 112.839 113.204 -0.365 18292 8667 1 14 . 1 1 93 93 THR HA H 93 3.827 3.827 4.432 -0.605 18292 8668 1 14 . 1 1 93 93 THR C C 93 172.669 172.669 175.279 -2.610 18292 8669 1 14 . 1 1 93 93 THR CA C 93 63.096 63.096 64.273 -1.177 18292 8670 1 14 . 1 1 93 93 THR CB C 93 65.968 65.968 69.889 -3.921 18292 8671 1 14 . 1 1 93 93 THR H H 93 6.528 6.528 7.988 -1.460 18292 8672 1 14 . 1 1 94 94 TYR N N 94 125.195 125.195 123.794 1.401 18292 8673 1 14 . 1 1 94 94 TYR HA H 94 3.515 3.515 4.216 -0.701 18292 8674 1 14 . 1 1 94 94 TYR C C 94 174.953 174.953 177.144 -2.191 18292 8675 1 14 . 1 1 94 94 TYR CA C 94 60.012 60.012 62.565 -2.553 18292 8676 1 14 . 1 1 94 94 TYR CB C 94 37.588 37.588 38.934 -1.346 18292 8677 1 14 . 1 1 94 94 TYR H H 94 8.263 8.263 8.452 -0.189 18292 8678 1 14 . 1 1 95 95 HIS N N 95 114.994 114.994 117.602 -2.608 18292 8679 1 14 . 1 1 95 95 HIS HA H 95 4.187 4.187 4.407 -0.220 18292 8680 1 14 . 1 1 95 95 HIS C C 95 173.780 173.780 176.978 -3.198 18292 8681 1 14 . 1 1 95 95 HIS CA C 95 53.471 53.471 59.330 -5.859 18292 8682 1 14 . 1 1 95 95 HIS CB C 95 26.528 26.528 29.369 -2.841 18292 8683 1 14 . 1 1 95 95 HIS H H 95 8.529 8.529 8.043 0.486 18292 8684 1 14 . 1 1 96 96 ASN N N 96 116.599 116.599 116.155 0.444 18292 8685 1 14 . 1 1 96 96 ASN HA H 96 4.315 4.315 4.483 -0.168 18292 8686 1 14 . 1 1 96 96 ASN C C 96 175.849 175.849 176.332 -0.483 18292 8687 1 14 . 1 1 96 96 ASN CA C 96 52.814 52.814 55.341 -2.527 18292 8688 1 14 . 1 1 96 96 ASN CB C 96 36.453 36.453 38.448 -1.995 18292 8689 1 14 . 1 1 96 96 ASN H H 96 7.343 7.343 8.251 -0.908 18292 8690 1 14 . 1 1 97 97 LEU N N 97 119.316 119.316 118.243 1.073 18292 8691 1 14 . 1 1 97 97 LEU HA H 97 3.406 3.406 3.911 -0.505 18292 8692 1 14 . 1 1 97 97 LEU CA C 97 54.399 54.399 56.275 -1.876 18292 8693 1 14 . 1 1 97 97 LEU CB C 97 39.614 39.614 42.861 -3.247 18292 8694 1 14 . 1 1 97 97 LEU H H 97 7.299 7.299 7.290 0.009 18292 8695 1 14 . 1 1 98 98 PHE N N 98 113.688 113.688 115.331 -1.643 18292 8696 1 14 . 1 1 98 98 PHE HA H 98 4.696 4.696 4.684 0.012 18292 8697 1 14 . 1 1 98 98 PHE CA C 98 54.399 54.399 54.951 -0.552 18292 8698 1 14 . 1 1 98 98 PHE CB C 98 35.380 35.380 38.359 -2.979 18292 8699 1 14 . 1 1 98 98 PHE H H 98 7.795 7.795 7.969 -0.174 18292 8700 1 14 . 1 1 99 99 PRO HA H 99 4.430 4.430 4.494 -0.064 18292 8701 1 14 . 1 1 99 99 PRO C C 99 176.469 176.469 177.473 -1.004 18292 8702 1 14 . 1 1 99 99 PRO CA C 99 63.174 63.174 64.295 -1.121 18292 8703 1 14 . 1 1 99 99 PRO CB C 99 28.822 28.822 31.784 -2.962 18292 8704 1 14 . 1 1 100 100 ASP N N 100 115.482 115.482 118.719 -3.237 18292 8705 1 14 . 1 1 100 100 ASP HA H 100 4.306 4.306 4.474 -0.168 18292 8706 1 14 . 1 1 100 100 ASP C C 100 174.886 174.886 177.645 -2.759 18292 8707 1 14 . 1 1 100 100 ASP CA C 100 53.064 53.064 57.772 -4.708 18292 8708 1 14 . 1 1 100 100 ASP CB C 100 36.736 36.736 40.896 -4.160 18292 8709 1 14 . 1 1 100 100 ASP H H 100 8.897 8.897 8.666 0.231 18292 8710 1 14 . 1 1 101 101 SER N N 101 114.743 114.743 113.159 1.584 18292 8711 1 14 . 1 1 101 101 SER HA H 101 3.876 3.876 4.195 -0.319 18292 8712 1 14 . 1 1 101 101 SER C C 101 173.539 173.539 175.535 -1.996 18292 8713 1 14 . 1 1 101 101 SER CA C 101 58.183 58.183 60.766 -2.583 18292 8714 1 14 . 1 1 101 101 SER CB C 101 61.403 61.403 62.673 -1.270 18292 8715 1 14 . 1 1 101 101 SER H H 101 8.057 8.057 7.626 0.431 18292 8716 1 14 . 1 1 102 102 MET N N 102 122.103 122.103 114.700 7.403 18292 8717 1 14 . 1 1 102 102 MET HA H 102 3.340 3.340 4.415 -1.075 18292 8718 1 14 . 1 1 102 102 MET C C 102 174.488 174.488 177.447 -2.959 18292 8719 1 14 . 1 1 102 102 MET CA C 102 56.606 56.606 57.289 -0.683 18292 8720 1 14 . 1 1 102 102 MET CB C 102 31.312 31.312 32.930 -1.618 18292 8721 1 14 . 1 1 102 102 MET H H 102 7.319 7.319 7.672 -0.353 18292 8722 1 14 . 1 1 103 103 THR N N 103 104.780 104.780 110.447 -5.667 18292 8723 1 14 . 1 1 103 103 THR HA H 103 4.318 4.318 4.330 -0.012 18292 8724 1 14 . 1 1 103 103 THR C C 103 171.121 171.121 175.209 -4.088 18292 8725 1 14 . 1 1 103 103 THR CA C 103 57.203 57.203 62.445 -5.242 18292 8726 1 14 . 1 1 103 103 THR CB C 103 65.753 65.753 69.742 -3.989 18292 8727 1 14 . 1 1 103 103 THR H H 103 7.216 7.216 7.898 -0.682 18292 8728 1 14 . 1 1 104 104 ALA N N 104 125.795 125.795 125.999 -0.204 18292 8729 1 14 . 1 1 104 104 ALA HA H 104 4.347 4.347 4.454 -0.107 18292 8730 1 14 . 1 1 104 104 ALA C C 104 174.370 174.370 177.456 -3.086 18292 8731 1 14 . 1 1 104 104 ALA CA C 104 50.244 50.244 52.703 -2.458 18292 8732 1 14 . 1 1 104 104 ALA CB C 104 16.077 16.077 18.851 -2.774 18292 8733 1 14 . 1 1 104 104 ALA H H 104 6.605 6.605 7.713 -1.108 18292 8734 1 14 . 1 1 105 105 THR N N 105 111.482 111.482 115.730 -4.248 18292 8735 1 14 . 1 1 105 105 THR HA H 105 4.390 4.390 4.233 0.157 18292 8736 1 14 . 1 1 105 105 THR C C 105 171.563 171.563 174.817 -3.254 18292 8737 1 14 . 1 1 105 105 THR CA C 105 58.977 58.977 62.454 -3.477 18292 8738 1 14 . 1 1 105 105 THR CB C 105 68.537 68.537 69.132 -0.594 18292 8739 1 14 . 1 1 105 105 THR H H 105 8.698 8.698 8.375 0.323 18292 8740 1 14 . 1 1 106 106 GLN N N 106 123.003 123.003 121.265 1.738 18292 8741 1 14 . 1 1 106 106 GLN HA H 106 4.294 4.294 4.199 0.095 18292 8742 1 14 . 1 1 106 106 GLN C C 106 172.973 172.973 175.205 -2.232 18292 8743 1 14 . 1 1 106 106 GLN CA C 106 52.710 52.710 55.613 -2.903 18292 8744 1 14 . 1 1 106 106 GLN CB C 106 27.282 27.282 28.442 -1.160 18292 8745 1 14 . 1 1 106 106 GLN H H 106 7.944 7.944 8.114 -0.170 18292 8746 1 14 . 1 1 107 107 LEU N N 107 124.765 124.765 125.753 -0.988 18292 8747 1 14 . 1 1 107 107 LEU HA H 107 4.328 4.328 4.465 -0.137 18292 8748 1 14 . 1 1 107 107 LEU C C 107 174.110 174.110 177.429 -3.319 18292 8749 1 14 . 1 1 107 107 LEU CA C 107 52.798 52.798 54.619 -1.821 18292 8750 1 14 . 1 1 107 107 LEU CB C 107 37.829 37.829 42.511 -4.683 18292 8751 1 14 . 1 1 107 107 LEU H H 107 8.390 8.390 8.422 -0.032 18292 8752 1 14 . 1 1 108 108 LEU N N 108 122.332 122.332 124.015 -1.683 18292 8753 1 14 . 1 1 108 108 LEU HA H 108 4.259 4.259 4.457 -0.198 18292 8754 1 14 . 1 1 108 108 LEU C C 108 173.870 173.870 175.530 -1.660 18292 8755 1 14 . 1 1 108 108 LEU CA C 108 52.092 52.092 55.389 -3.297 18292 8756 1 14 . 1 1 108 108 LEU CB C 108 39.253 39.253 42.384 -3.131 18292 8757 1 14 . 1 1 108 108 LEU H H 108 8.480 8.480 8.657 -0.177 18292 8758 1 14 . 1 1 109 109 VAL N N 109 115.421 115.421 113.356 2.065 18292 8759 1 14 . 1 1 109 109 VAL HA H 109 4.444 4.444 4.581 -0.137 18292 8760 1 14 . 1 1 109 109 VAL CA C 109 55.640 55.640 58.840 -3.200 18292 8761 1 14 . 1 1 109 109 VAL CB C 109 31.153 31.153 33.358 -2.205 18292 8762 1 14 . 1 1 109 109 VAL H H 109 8.007 8.007 8.170 -0.163 18292 8763 1 14 . 1 1 110 110 PRO HA H 110 4.361 4.361 4.664 -0.303 18292 8764 1 14 . 1 1 110 110 PRO C C 110 173.778 173.778 175.941 -2.163 18292 8765 1 14 . 1 1 110 110 PRO CA C 110 59.737 59.737 62.404 -2.667 18292 8766 1 14 . 1 1 110 110 PRO CB C 110 29.710 29.710 32.917 -3.207 18292 8767 1 14 . 1 1 111 111 SER N N 111 120.434 120.434 115.017 5.417 18292 8768 1 14 . 1 1 111 111 SER HA H 111 4.139 4.139 4.605 -0.466 18292 8769 1 14 . 1 1 111 111 SER C C 111 172.475 172.475 175.212 -2.737 18292 8770 1 14 . 1 1 111 111 SER CA C 111 57.674 57.674 59.092 -1.418 18292 8771 1 14 . 1 1 111 111 SER CB C 111 60.580 60.580 64.904 -4.324 18292 8772 1 14 . 1 1 111 111 SER H H 111 9.945 9.945 9.366 0.579 18292 8773 1 14 . 1 1 112 112 ARG N N 112 121.013 121.013 119.571 1.442 18292 8774 1 14 . 1 1 112 112 ARG HA H 112 4.253 4.253 4.551 -0.298 18292 8775 1 14 . 1 1 112 112 ARG C C 112 172.216 172.216 175.974 -3.758 18292 8776 1 14 . 1 1 112 112 ARG CA C 112 53.071 53.071 55.558 -2.487 18292 8777 1 14 . 1 1 112 112 ARG CB C 112 27.963 27.963 30.949 -2.986 18292 8778 1 14 . 1 1 112 112 ARG H H 112 7.861 7.861 8.516 -0.655 18292 8779 1 15 . 1 1 2 2 GLN N N 2 125.719 125.719 121.463 4.256 18292 8780 1 15 . 1 1 2 2 GLN HA H 2 4.571 4.571 4.744 -0.173 18292 8781 1 15 . 1 1 2 2 GLN CA C 2 50.502 50.502 54.090 -3.588 18292 8782 1 15 . 1 1 2 2 GLN CB C 2 26.254 26.254 30.987 -4.733 18292 8783 1 15 . 1 1 2 2 GLN H H 2 8.471 8.471 8.200 0.271 18292 8784 1 15 . 1 1 3 3 PRO HA H 3 4.311 4.311 4.411 -0.100 18292 8785 1 15 . 1 1 3 3 PRO C C 3 173.634 173.634 175.818 -2.184 18292 8786 1 15 . 1 1 3 3 PRO CA C 3 60.349 60.349 63.203 -2.854 18292 8787 1 15 . 1 1 3 3 PRO CB C 3 29.678 29.678 30.963 -1.285 18292 8788 1 15 . 1 1 4 4 LEU N N 4 122.253 122.253 125.719 -3.466 18292 8789 1 15 . 1 1 4 4 LEU HA H 4 4.133 4.133 4.460 -0.327 18292 8790 1 15 . 1 1 4 4 LEU C C 4 172.946 172.946 175.804 -2.858 18292 8791 1 15 . 1 1 4 4 LEU CA C 4 51.900 51.900 54.323 -2.423 18292 8792 1 15 . 1 1 4 4 LEU CB C 4 39.711 39.711 41.544 -1.833 18292 8793 1 15 . 1 1 4 4 LEU H H 4 7.912 7.912 7.711 0.201 18292 8794 1 15 . 1 1 5 5 ALA N N 5 122.619 122.619 126.569 -3.950 18292 8795 1 15 . 1 1 5 5 ALA HA H 5 2.385 2.385 3.565 -1.180 18292 8796 1 15 . 1 1 5 5 ALA C C 5 174.164 174.164 176.822 -2.658 18292 8797 1 15 . 1 1 5 5 ALA CA C 5 49.205 49.205 51.777 -2.572 18292 8798 1 15 . 1 1 5 5 ALA CB C 5 17.058 17.058 17.796 -0.738 18292 8799 1 15 . 1 1 5 5 ALA H H 5 7.415 7.415 8.178 -0.763 18292 8800 1 15 . 1 1 6 6 THR N N 6 112.768 112.768 113.728 -0.960 18292 8801 1 15 . 1 1 6 6 THR HA H 6 4.393 4.393 4.469 -0.076 18292 8802 1 15 . 1 1 6 6 THR C C 6 168.908 168.908 175.648 -6.740 18292 8803 1 15 . 1 1 6 6 THR CA C 6 56.371 56.371 59.786 -3.416 18292 8804 1 15 . 1 1 6 6 THR CB C 6 68.874 68.874 70.704 -1.830 18292 8805 1 15 . 1 1 6 6 THR H H 6 6.601 6.601 7.566 -0.965 18292 8806 1 15 . 1 1 7 7 GLN N N 7 111.707 111.707 117.459 -5.752 18292 8807 1 15 . 1 1 7 7 GLN HA H 7 4.344 4.344 4.307 0.037 18292 8808 1 15 . 1 1 7 7 GLN C C 7 171.068 171.068 174.896 -3.828 18292 8809 1 15 . 1 1 7 7 GLN CA C 7 53.795 53.795 56.918 -3.123 18292 8810 1 15 . 1 1 7 7 GLN CB C 7 28.252 28.252 27.630 0.622 18292 8811 1 15 . 1 1 7 7 GLN H H 7 8.547 8.547 8.884 -0.337 18292 8812 1 15 . 1 1 8 8 CYS N N 8 118.669 118.669 116.635 2.034 18292 8813 1 15 . 1 1 8 8 CYS HA H 8 5.389 5.389 5.209 0.180 18292 8814 1 15 . 1 1 8 8 CYS C C 8 171.026 171.026 173.677 -2.651 18292 8815 1 15 . 1 1 8 8 CYS CA C 8 53.652 53.652 56.759 -3.107 18292 8816 1 15 . 1 1 8 8 CYS CB C 8 29.416 29.416 31.349 -1.933 18292 8817 1 15 . 1 1 8 8 CYS H H 8 8.558 8.558 7.353 1.205 18292 8818 1 15 . 1 1 9 9 PHE N N 9 117.117 117.117 119.058 -1.941 18292 8819 1 15 . 1 1 9 9 PHE HA H 9 5.369 5.369 5.308 0.061 18292 8820 1 15 . 1 1 9 9 PHE C C 9 168.313 168.313 172.463 -4.150 18292 8821 1 15 . 1 1 9 9 PHE CA C 9 53.341 53.341 55.513 -2.172 18292 8822 1 15 . 1 1 9 9 PHE CB C 9 39.008 39.008 41.816 -2.808 18292 8823 1 15 . 1 1 9 9 PHE H H 9 9.533 9.533 8.890 0.643 18292 8824 1 15 . 1 1 10 10 GLN N N 10 118.344 118.344 116.077 2.267 18292 8825 1 15 . 1 1 10 10 GLN HA H 10 5.063 5.063 4.826 0.237 18292 8826 1 15 . 1 1 10 10 GLN C C 10 173.280 173.280 173.979 -0.699 18292 8827 1 15 . 1 1 10 10 GLN CA C 10 50.242 50.242 54.045 -3.803 18292 8828 1 15 . 1 1 10 10 GLN CB C 10 30.263 30.263 32.167 -1.904 18292 8829 1 15 . 1 1 10 10 GLN H H 10 9.299 9.299 8.917 0.382 18292 8830 1 15 . 1 1 11 11 LEU N N 11 128.664 128.664 121.797 6.867 18292 8831 1 15 . 1 1 11 11 LEU HA H 11 5.474 5.474 5.120 0.354 18292 8832 1 15 . 1 1 11 11 LEU C C 11 173.987 173.987 178.020 -4.033 18292 8833 1 15 . 1 1 11 11 LEU CA C 11 50.153 50.153 53.404 -3.251 18292 8834 1 15 . 1 1 11 11 LEU CB C 11 41.779 41.779 43.414 -1.635 18292 8835 1 15 . 1 1 11 11 LEU H H 11 9.679 9.679 7.853 1.826 18292 8836 1 15 . 1 1 12 12 SER N N 12 115.661 115.661 113.736 1.925 18292 8837 1 15 . 1 1 12 12 SER HA H 12 4.877 4.877 4.421 0.456 18292 8838 1 15 . 1 1 12 12 SER C C 12 170.086 170.086 172.912 -2.826 18292 8839 1 15 . 1 1 12 12 SER CA C 12 54.698 54.698 58.939 -4.241 18292 8840 1 15 . 1 1 12 12 SER CB C 12 63.054 63.054 63.805 -0.751 18292 8841 1 15 . 1 1 12 12 SER H H 12 8.717 8.717 8.320 0.397 18292 8842 1 15 . 1 1 13 13 ASN N N 13 114.812 114.812 118.053 -3.241 18292 8843 1 15 . 1 1 13 13 ASN HA H 13 4.165 4.165 4.896 -0.731 18292 8844 1 15 . 1 1 13 13 ASN C C 13 171.867 171.867 174.467 -2.600 18292 8845 1 15 . 1 1 13 13 ASN CA C 13 51.269 51.269 53.328 -2.058 18292 8846 1 15 . 1 1 13 13 ASN CB C 13 34.988 34.988 39.362 -4.374 18292 8847 1 15 . 1 1 13 13 ASN H H 13 8.563 8.563 8.096 0.467 18292 8848 1 15 . 1 1 14 14 MET N N 14 113.100 113.100 118.149 -5.049 18292 8849 1 15 . 1 1 14 14 MET HA H 14 4.258 4.258 4.054 0.204 18292 8850 1 15 . 1 1 14 14 MET C C 14 171.935 171.935 174.791 -2.856 18292 8851 1 15 . 1 1 14 14 MET CA C 14 53.020 53.020 54.994 -1.974 18292 8852 1 15 . 1 1 14 14 MET CB C 14 29.746 29.746 32.748 -3.002 18292 8853 1 15 . 1 1 14 14 MET H H 14 8.261 8.261 7.839 0.422 18292 8854 1 15 . 1 1 15 15 PHE N N 15 108.769 108.769 110.626 -1.857 18292 8855 1 15 . 1 1 15 15 PHE HA H 15 4.485 4.485 4.720 -0.235 18292 8856 1 15 . 1 1 15 15 PHE C C 15 170.024 170.024 172.741 -2.717 18292 8857 1 15 . 1 1 15 15 PHE CA C 15 53.080 53.080 56.471 -3.390 18292 8858 1 15 . 1 1 15 15 PHE CB C 15 36.300 36.300 39.552 -3.252 18292 8859 1 15 . 1 1 15 15 PHE H H 15 6.804 6.804 7.109 -0.305 18292 8860 1 15 . 1 1 16 16 ASN N N 16 117.922 117.922 118.437 -0.515 18292 8861 1 15 . 1 1 16 16 ASN HA H 16 4.932 4.932 5.281 -0.349 18292 8862 1 15 . 1 1 16 16 ASN CA C 16 47.510 47.510 50.246 -2.736 18292 8863 1 15 . 1 1 16 16 ASN CB C 16 36.512 36.512 39.655 -3.143 18292 8864 1 15 . 1 1 16 16 ASN H H 16 8.681 8.681 8.713 -0.032 18292 8865 1 15 . 1 1 17 17 PRO HA H 17 4.102 4.102 4.551 -0.449 18292 8866 1 15 . 1 1 17 17 PRO C C 17 174.773 174.773 176.852 -2.079 18292 8867 1 15 . 1 1 17 17 PRO CA C 17 61.933 61.933 64.708 -2.775 18292 8868 1 15 . 1 1 17 17 PRO CB C 17 29.557 29.557 32.427 -2.870 18292 8869 1 15 . 1 1 18 18 GLN N N 18 116.462 116.462 116.454 0.008 18292 8870 1 15 . 1 1 18 18 GLN HA H 18 4.146 4.146 4.373 -0.227 18292 8871 1 15 . 1 1 18 18 GLN C C 18 174.423 174.423 175.422 -0.999 18292 8872 1 15 . 1 1 18 18 GLN CA C 18 54.067 54.067 55.611 -1.544 18292 8873 1 15 . 1 1 18 18 GLN CB C 18 26.326 26.326 29.587 -3.261 18292 8874 1 15 . 1 1 18 18 GLN H H 18 7.934 7.934 8.076 -0.142 18292 8875 1 15 . 1 1 19 19 THR N N 19 112.362 112.362 116.939 -4.577 18292 8876 1 15 . 1 1 19 19 THR HA H 19 4.176 4.176 4.470 -0.294 18292 8877 1 15 . 1 1 19 19 THR C C 19 171.908 171.908 172.559 -0.651 18292 8878 1 15 . 1 1 19 19 THR CA C 19 59.509 59.509 62.256 -2.747 18292 8879 1 15 . 1 1 19 19 THR CB C 19 66.360 66.360 68.956 -2.596 18292 8880 1 15 . 1 1 19 19 THR H H 19 7.723 7.723 7.617 0.106 18292 8881 1 15 . 1 1 20 20 GLU N N 20 120.326 120.326 122.517 -2.191 18292 8882 1 15 . 1 1 20 20 GLU HA H 20 3.658 3.658 3.877 -0.219 18292 8883 1 15 . 1 1 20 20 GLU C C 20 173.311 173.311 175.111 -1.800 18292 8884 1 15 . 1 1 20 20 GLU CA C 20 53.164 53.164 54.003 -0.839 18292 8885 1 15 . 1 1 20 20 GLU CB C 20 25.837 25.837 30.604 -4.767 18292 8886 1 15 . 1 1 20 20 GLU H H 20 7.312 7.312 7.884 -0.572 18292 8887 1 15 . 1 1 21 21 GLU N N 21 120.796 120.796 121.984 -1.188 18292 8888 1 15 . 1 1 21 21 GLU HA H 21 4.162 4.162 4.206 -0.044 18292 8889 1 15 . 1 1 21 21 GLU C C 21 173.747 173.747 176.370 -2.623 18292 8890 1 15 . 1 1 21 21 GLU CA C 21 53.873 53.873 56.038 -2.165 18292 8891 1 15 . 1 1 21 21 GLU CB C 21 28.445 28.445 30.330 -1.885 18292 8892 1 15 . 1 1 21 21 GLU H H 21 8.011 8.011 7.979 0.032 18292 8893 1 15 . 1 1 22 22 GLU N N 22 121.370 121.370 118.980 2.390 18292 8894 1 15 . 1 1 22 22 GLU HA H 22 4.393 4.393 4.236 0.157 18292 8895 1 15 . 1 1 22 22 GLU C C 22 173.536 173.536 176.771 -3.235 18292 8896 1 15 . 1 1 22 22 GLU CA C 22 52.982 52.982 56.156 -3.174 18292 8897 1 15 . 1 1 22 22 GLU CB C 22 28.012 28.012 30.030 -2.018 18292 8898 1 15 . 1 1 22 22 GLU H H 22 8.039 8.039 8.282 -0.243 18292 8899 1 15 . 1 1 23 23 VAL N N 23 123.340 123.340 120.711 2.629 18292 8900 1 15 . 1 1 23 23 VAL HA H 23 3.901 3.901 3.885 0.016 18292 8901 1 15 . 1 1 23 23 VAL C C 23 175.077 175.077 177.415 -2.338 18292 8902 1 15 . 1 1 23 23 VAL CA C 23 61.540 61.540 64.793 -3.253 18292 8903 1 15 . 1 1 23 23 VAL CB C 23 29.361 29.361 30.719 -1.358 18292 8904 1 15 . 1 1 23 23 VAL H H 23 8.447 8.447 8.592 -0.145 18292 8905 1 15 . 1 1 24 24 GLY N N 24 114.476 114.476 116.709 -2.233 18292 8906 1 15 . 1 1 24 24 GLY C C 24 173.717 173.717 175.778 -2.061 18292 8907 1 15 . 1 1 24 24 GLY CA C 24 42.667 42.667 44.913 -2.245 18292 8908 1 15 . 1 1 24 24 GLY H H 24 9.087 9.087 8.508 0.579 18292 8909 1 15 . 1 1 25 25 TRP N N 25 121.382 121.382 120.777 0.605 18292 8910 1 15 . 1 1 25 25 TRP HA H 25 4.214 4.214 4.507 -0.293 18292 8911 1 15 . 1 1 25 25 TRP C C 25 174.056 174.056 175.574 -1.518 18292 8912 1 15 . 1 1 25 25 TRP CA C 25 56.093 56.093 58.222 -2.129 18292 8913 1 15 . 1 1 25 25 TRP CB C 25 25.016 25.016 28.296 -3.280 18292 8914 1 15 . 1 1 26 26 ASP N N 26 118.789 118.789 119.706 -0.917 18292 8915 1 15 . 1 1 26 26 ASP HA H 26 3.261 3.261 4.218 -0.957 18292 8916 1 15 . 1 1 26 26 ASP C C 26 174.709 174.709 177.670 -2.961 18292 8917 1 15 . 1 1 26 26 ASP CA C 26 52.705 52.705 55.885 -3.180 18292 8918 1 15 . 1 1 26 26 ASP CB C 26 34.503 34.503 39.524 -5.021 18292 8919 1 15 . 1 1 26 26 ASP H H 26 7.939 7.939 7.228 0.711 18292 8920 1 15 . 1 1 27 27 THR N N 27 118.934 118.934 116.889 2.045 18292 8921 1 15 . 1 1 27 27 THR HA H 27 3.552 3.552 3.875 -0.323 18292 8922 1 15 . 1 1 27 27 THR C C 27 172.390 172.390 176.175 -3.785 18292 8923 1 15 . 1 1 27 27 THR CA C 27 63.307 63.307 66.995 -3.688 18292 8924 1 15 . 1 1 27 27 THR CB C 27 65.331 65.331 68.869 -3.538 18292 8925 1 15 . 1 1 27 27 THR H H 27 7.103 7.103 7.847 -0.744 18292 8926 1 15 . 1 1 28 28 GLU N N 28 120.484 120.484 121.373 -0.889 18292 8927 1 15 . 1 1 28 28 GLU HA H 28 3.978 3.978 4.101 -0.123 18292 8928 1 15 . 1 1 28 28 GLU C C 28 175.447 175.447 178.635 -3.188 18292 8929 1 15 . 1 1 28 28 GLU CA C 28 56.760 56.760 59.401 -2.641 18292 8930 1 15 . 1 1 28 28 GLU CB C 28 26.418 26.418 29.242 -2.824 18292 8931 1 15 . 1 1 28 28 GLU H H 28 7.473 7.473 7.866 -0.393 18292 8932 1 15 . 1 1 29 29 ILE N N 29 116.961 116.961 119.427 -2.466 18292 8933 1 15 . 1 1 29 29 ILE HA H 29 3.773 3.773 3.888 -0.115 18292 8934 1 15 . 1 1 29 29 ILE C C 29 174.605 174.605 178.093 -3.488 18292 8935 1 15 . 1 1 29 29 ILE CA C 29 61.243 61.243 64.656 -3.413 18292 8936 1 15 . 1 1 29 29 ILE CB C 29 35.267 35.267 37.664 -2.397 18292 8937 1 15 . 1 1 29 29 ILE H H 29 7.113 7.113 7.907 -0.794 18292 8938 1 15 . 1 1 30 30 LYS N N 30 118.457 118.457 120.358 -1.901 18292 8939 1 15 . 1 1 30 30 LYS HA H 30 3.430 3.430 3.923 -0.493 18292 8940 1 15 . 1 1 30 30 LYS C C 30 174.886 174.886 178.360 -3.474 18292 8941 1 15 . 1 1 30 30 LYS CA C 30 57.872 57.872 59.941 -2.069 18292 8942 1 15 . 1 1 30 30 LYS CB C 30 29.680 29.680 32.044 -2.364 18292 8943 1 15 . 1 1 30 30 LYS H H 30 7.480 7.480 7.762 -0.282 18292 8944 1 15 . 1 1 31 31 ASP N N 31 118.630 118.630 120.009 -1.379 18292 8945 1 15 . 1 1 31 31 ASP HA H 31 4.233 4.233 4.380 -0.147 18292 8946 1 15 . 1 1 31 31 ASP C C 31 175.558 175.558 177.948 -2.390 18292 8947 1 15 . 1 1 31 31 ASP CA C 31 55.137 55.137 56.735 -1.598 18292 8948 1 15 . 1 1 31 31 ASP CB C 31 36.829 36.829 40.376 -3.547 18292 8949 1 15 . 1 1 31 31 ASP H H 31 8.334 8.334 7.786 0.548 18292 8950 1 15 . 1 1 32 32 ASP N N 32 120.576 120.576 119.313 1.263 18292 8951 1 15 . 1 1 32 32 ASP HA H 32 4.277 4.277 4.393 -0.116 18292 8952 1 15 . 1 1 32 32 ASP C C 32 176.966 176.966 178.412 -1.446 18292 8953 1 15 . 1 1 32 32 ASP CA C 32 54.829 54.829 57.598 -2.769 18292 8954 1 15 . 1 1 32 32 ASP CB C 32 37.331 37.331 40.958 -3.627 18292 8955 1 15 . 1 1 32 32 ASP H H 32 8.189 8.189 8.111 0.078 18292 8956 1 15 . 1 1 33 33 VAL N N 33 121.083 121.083 117.673 3.410 18292 8957 1 15 . 1 1 33 33 VAL HA H 33 3.444 3.444 4.022 -0.578 18292 8958 1 15 . 1 1 33 33 VAL C C 33 175.529 175.529 177.501 -1.972 18292 8959 1 15 . 1 1 33 33 VAL CA C 33 64.511 64.511 64.521 -0.010 18292 8960 1 15 . 1 1 33 33 VAL CB C 33 28.920 28.920 32.024 -3.104 18292 8961 1 15 . 1 1 33 33 VAL H H 33 8.069 8.069 7.498 0.571 18292 8962 1 15 . 1 1 34 34 ILE N N 34 122.145 122.145 121.644 0.501 18292 8963 1 15 . 1 1 34 34 ILE HA H 34 3.272 3.272 3.580 -0.308 18292 8964 1 15 . 1 1 34 34 ILE C C 34 174.723 174.723 177.710 -2.987 18292 8965 1 15 . 1 1 34 34 ILE CA C 34 63.723 63.723 65.335 -1.612 18292 8966 1 15 . 1 1 34 34 ILE CB C 34 35.949 35.949 37.446 -1.497 18292 8967 1 15 . 1 1 34 34 ILE H H 34 8.887 8.887 7.639 1.248 18292 8968 1 15 . 1 1 35 35 GLU N N 35 117.927 117.927 119.167 -1.240 18292 8969 1 15 . 1 1 35 35 GLU HA H 35 3.830 3.830 3.951 -0.121 18292 8970 1 15 . 1 1 35 35 GLU C C 35 176.747 176.747 179.053 -2.306 18292 8971 1 15 . 1 1 35 35 GLU CA C 35 57.183 57.183 59.967 -2.784 18292 8972 1 15 . 1 1 35 35 GLU CB C 35 26.969 26.969 29.371 -2.402 18292 8973 1 15 . 1 1 35 35 GLU H H 35 8.565 8.565 8.302 0.263 18292 8974 1 15 . 1 1 36 36 GLU N N 36 117.299 117.299 119.563 -2.264 18292 8975 1 15 . 1 1 36 36 GLU HA H 36 4.012 4.012 4.142 -0.130 18292 8976 1 15 . 1 1 36 36 GLU C C 36 176.604 176.604 179.336 -2.732 18292 8977 1 15 . 1 1 36 36 GLU CA C 36 56.357 56.357 59.066 -2.709 18292 8978 1 15 . 1 1 36 36 GLU CB C 36 26.612 26.612 28.771 -2.159 18292 8979 1 15 . 1 1 36 36 GLU H H 36 7.523 7.523 7.842 -0.319 18292 8980 1 15 . 1 1 37 37 CYS N N 37 116.308 116.308 119.045 -2.737 18292 8981 1 15 . 1 1 37 37 CYS HA H 37 4.141 4.141 4.297 -0.156 18292 8982 1 15 . 1 1 37 37 CYS C C 37 175.888 175.888 176.232 -0.344 18292 8983 1 15 . 1 1 37 37 CYS CA C 37 61.915 61.915 64.494 -2.579 18292 8984 1 15 . 1 1 37 37 CYS CB C 37 24.513 24.513 27.396 -2.884 18292 8985 1 15 . 1 1 37 37 CYS H H 37 8.754 8.754 8.015 0.739 18292 8986 1 15 . 1 1 38 38 ASN N N 38 121.598 121.598 116.300 5.298 18292 8987 1 15 . 1 1 38 38 ASN HA H 38 4.452 4.452 4.633 -0.181 18292 8988 1 15 . 1 1 38 38 ASN C C 38 174.340 174.340 176.308 -1.968 18292 8989 1 15 . 1 1 38 38 ASN CA C 38 52.249 52.249 55.132 -2.883 18292 8990 1 15 . 1 1 38 38 ASN CB C 38 34.488 34.488 38.407 -3.919 18292 8991 1 15 . 1 1 38 38 ASN H H 38 8.800 8.800 8.134 0.666 18292 8992 1 15 . 1 1 39 39 LYS N N 39 119.297 119.297 116.709 2.588 18292 8993 1 15 . 1 1 39 39 LYS HA H 39 4.002 4.002 4.120 -0.118 18292 8994 1 15 . 1 1 39 39 LYS C C 39 174.388 174.388 176.848 -2.460 18292 8995 1 15 . 1 1 39 39 LYS CA C 39 55.239 55.239 57.600 -2.361 18292 8996 1 15 . 1 1 39 39 LYS CB C 39 29.477 29.477 32.175 -2.697 18292 8997 1 15 . 1 1 39 39 LYS H H 39 7.427 7.427 7.791 -0.364 18292 8998 1 15 . 1 1 40 40 HIS N N 40 114.421 114.421 116.234 -1.813 18292 8999 1 15 . 1 1 40 40 HIS HA H 40 4.896 4.896 4.777 0.119 18292 9000 1 15 . 1 1 40 40 HIS C C 40 171.895 171.895 176.100 -4.205 18292 9001 1 15 . 1 1 40 40 HIS CA C 40 51.758 51.758 57.487 -5.729 18292 9002 1 15 . 1 1 40 40 HIS CB C 40 28.775 28.775 32.809 -4.034 18292 9003 1 15 . 1 1 40 40 HIS H H 40 7.453 7.453 7.550 -0.097 18292 9004 1 15 . 1 1 41 41 GLY N N 41 106.587 106.587 104.828 1.759 18292 9005 1 15 . 1 1 41 41 GLY C C 41 171.376 171.376 173.879 -2.503 18292 9006 1 15 . 1 1 41 41 GLY CA C 41 42.388 42.388 45.500 -3.112 18292 9007 1 15 . 1 1 41 41 GLY H H 41 7.599 7.599 8.578 -0.979 18292 9008 1 15 . 1 1 42 42 GLY N N 42 107.066 107.066 108.772 -1.706 18292 9009 1 15 . 1 1 42 42 GLY C C 42 169.120 169.120 172.311 -3.191 18292 9010 1 15 . 1 1 42 42 GLY CA C 42 41.518 41.518 44.794 -3.276 18292 9011 1 15 . 1 1 42 42 GLY H H 42 7.942 7.942 7.790 0.152 18292 9012 1 15 . 1 1 43 43 VAL N N 43 114.640 114.640 119.879 -5.239 18292 9013 1 15 . 1 1 43 43 VAL HA H 43 4.527 4.527 4.514 0.013 18292 9014 1 15 . 1 1 43 43 VAL C C 43 169.861 169.861 174.708 -4.847 18292 9015 1 15 . 1 1 43 43 VAL CA C 43 58.404 58.404 59.795 -1.391 18292 9016 1 15 . 1 1 43 43 VAL CB C 43 31.692 31.692 34.744 -3.052 18292 9017 1 15 . 1 1 43 43 VAL H H 43 8.679 8.679 8.543 0.136 18292 9018 1 15 . 1 1 44 44 ILE N N 44 115.792 115.792 121.506 -5.714 18292 9019 1 15 . 1 1 44 44 ILE HA H 44 4.918 4.918 4.911 0.007 18292 9020 1 15 . 1 1 44 44 ILE C C 44 172.246 172.246 174.876 -2.630 18292 9021 1 15 . 1 1 44 44 ILE CA C 44 57.770 57.770 60.675 -2.905 18292 9022 1 15 . 1 1 44 44 ILE CB C 44 37.197 37.197 39.582 -2.385 18292 9023 1 15 . 1 1 44 44 ILE H H 44 8.587 8.587 8.538 0.049 18292 9024 1 15 . 1 1 45 45 HIS N N 45 122.684 122.684 117.997 4.687 18292 9025 1 15 . 1 1 45 45 HIS HA H 45 4.426 4.426 4.826 -0.400 18292 9026 1 15 . 1 1 45 45 HIS C C 45 168.452 168.452 173.030 -4.578 18292 9027 1 15 . 1 1 45 45 HIS CA C 45 55.548 55.548 56.093 -0.545 18292 9028 1 15 . 1 1 45 45 HIS CB C 45 31.632 31.632 34.277 -2.645 18292 9029 1 15 . 1 1 45 45 HIS H H 45 7.791 7.791 7.789 0.002 18292 9030 1 15 . 1 1 46 46 ILE N N 46 123.917 123.917 124.556 -0.639 18292 9031 1 15 . 1 1 46 46 ILE HA H 46 5.120 5.120 4.684 0.436 18292 9032 1 15 . 1 1 46 46 ILE C C 46 170.171 170.171 173.689 -3.518 18292 9033 1 15 . 1 1 46 46 ILE CA C 46 56.063 56.063 59.925 -3.862 18292 9034 1 15 . 1 1 46 46 ILE CB C 46 39.753 39.753 42.202 -2.449 18292 9035 1 15 . 1 1 46 46 ILE H H 46 7.391 7.391 8.374 -0.983 18292 9036 1 15 . 1 1 47 47 TYR N N 47 125.750 125.750 127.722 -1.972 18292 9037 1 15 . 1 1 47 47 TYR HA H 47 4.370 4.370 4.733 -0.363 18292 9038 1 15 . 1 1 47 47 TYR C C 47 171.029 171.029 173.019 -1.990 18292 9039 1 15 . 1 1 47 47 TYR CA C 47 54.800 54.800 57.191 -2.391 18292 9040 1 15 . 1 1 47 47 TYR CB C 47 39.851 39.851 40.145 -0.294 18292 9041 1 15 . 1 1 47 47 TYR H H 47 9.055 9.055 8.675 0.380 18292 9042 1 15 . 1 1 48 48 VAL N N 48 129.720 129.720 128.144 1.576 18292 9043 1 15 . 1 1 48 48 VAL HA H 48 3.869 3.869 3.916 -0.047 18292 9044 1 15 . 1 1 48 48 VAL C C 48 170.949 170.949 174.137 -3.188 18292 9045 1 15 . 1 1 48 48 VAL CA C 48 59.328 59.328 61.994 -2.666 18292 9046 1 15 . 1 1 48 48 VAL CB C 48 29.022 29.022 32.486 -3.465 18292 9047 1 15 . 1 1 48 48 VAL H H 48 8.290 8.290 8.118 0.172 18292 9048 1 15 . 1 1 49 49 ASP N N 49 125.287 125.287 128.939 -3.652 18292 9049 1 15 . 1 1 49 49 ASP HA H 49 4.703 4.703 4.542 0.161 18292 9050 1 15 . 1 1 49 49 ASP C C 49 173.851 173.851 176.458 -2.607 18292 9051 1 15 . 1 1 49 49 ASP CA C 49 50.349 50.349 52.093 -1.744 18292 9052 1 15 . 1 1 49 49 ASP CB C 49 38.139 38.139 42.176 -4.037 18292 9053 1 15 . 1 1 49 49 ASP H H 49 8.274 8.274 7.942 0.332 18292 9054 1 15 . 1 1 50 50 LYS N N 50 125.099 125.099 126.040 -0.941 18292 9055 1 15 . 1 1 50 50 LYS HA H 50 4.096 4.096 4.188 -0.092 18292 9056 1 15 . 1 1 50 50 LYS C C 50 173.120 173.120 178.290 -5.170 18292 9057 1 15 . 1 1 50 50 LYS CA C 50 56.284 56.284 59.248 -2.964 18292 9058 1 15 . 1 1 50 50 LYS CB C 50 29.763 29.763 32.436 -2.673 18292 9059 1 15 . 1 1 50 50 LYS H H 50 8.090 8.090 8.693 -0.603 18292 9060 1 15 . 1 1 51 51 ASN N N 51 114.422 114.422 116.836 -2.414 18292 9061 1 15 . 1 1 51 51 ASN HA H 51 4.931 4.931 4.663 0.268 18292 9062 1 15 . 1 1 51 51 ASN C C 51 172.685 172.685 175.351 -2.666 18292 9063 1 15 . 1 1 51 51 ASN CA C 51 50.744 50.744 53.945 -3.201 18292 9064 1 15 . 1 1 51 51 ASN CB C 51 37.036 37.036 38.542 -1.506 18292 9065 1 15 . 1 1 51 51 ASN H H 51 8.272 8.272 8.152 0.120 18292 9066 1 15 . 1 1 52 52 SER N N 52 115.013 115.013 114.935 0.078 18292 9067 1 15 . 1 1 52 52 SER HA H 52 4.410 4.410 4.376 0.034 18292 9068 1 15 . 1 1 52 52 SER C C 52 172.628 172.628 174.445 -1.817 18292 9069 1 15 . 1 1 52 52 SER CA C 52 55.035 55.035 59.487 -4.452 18292 9070 1 15 . 1 1 52 52 SER CB C 52 61.604 61.604 64.321 -2.717 18292 9071 1 15 . 1 1 52 52 SER H H 52 7.920 7.920 7.716 0.204 18292 9072 1 15 . 1 1 53 53 ALA N N 53 129.163 129.163 125.138 4.025 18292 9073 1 15 . 1 1 53 53 ALA HA H 53 4.088 4.088 4.294 -0.206 18292 9074 1 15 . 1 1 53 53 ALA C C 53 175.951 175.951 177.966 -2.015 18292 9075 1 15 . 1 1 53 53 ALA CA C 53 51.409 51.409 54.134 -2.725 18292 9076 1 15 . 1 1 53 53 ALA CB C 53 15.878 15.878 19.314 -3.436 18292 9077 1 15 . 1 1 53 53 ALA H H 53 8.837 8.837 8.657 0.180 18292 9078 1 15 . 1 1 54 54 GLN N N 54 113.081 113.081 115.937 -2.856 18292 9079 1 15 . 1 1 54 54 GLN HA H 54 4.202 4.202 4.319 -0.117 18292 9080 1 15 . 1 1 54 54 GLN C C 54 173.388 173.388 175.529 -2.141 18292 9081 1 15 . 1 1 54 54 GLN CA C 54 52.993 52.993 54.724 -1.731 18292 9082 1 15 . 1 1 54 54 GLN CB C 54 26.360 26.360 30.712 -4.352 18292 9083 1 15 . 1 1 54 54 GLN H H 54 7.836 7.836 7.753 0.083 18292 9084 1 15 . 1 1 55 55 GLY N N 55 108.967 108.967 108.296 0.671 18292 9085 1 15 . 1 1 55 55 GLY CA C 55 45.087 45.087 43.888 1.199 18292 9086 1 15 . 1 1 55 55 GLY H H 55 7.191 7.191 7.687 -0.496 18292 9087 1 15 . 1 1 56 56 ASN N N 56 114.505 114.505 117.958 -3.453 18292 9088 1 15 . 1 1 56 56 ASN HA H 56 5.520 5.520 4.949 0.571 18292 9089 1 15 . 1 1 56 56 ASN C C 56 172.166 172.166 174.319 -2.153 18292 9090 1 15 . 1 1 56 56 ASN CA C 56 50.462 50.462 52.879 -2.417 18292 9091 1 15 . 1 1 56 56 ASN CB C 56 38.400 38.400 40.517 -2.117 18292 9092 1 15 . 1 1 56 56 ASN H H 56 7.614 7.614 7.997 -0.383 18292 9093 1 15 . 1 1 57 57 VAL N N 57 119.859 119.859 119.470 0.389 18292 9094 1 15 . 1 1 57 57 VAL HA H 57 4.692 4.692 4.607 0.085 18292 9095 1 15 . 1 1 57 57 VAL C C 57 170.667 170.667 173.428 -2.761 18292 9096 1 15 . 1 1 57 57 VAL CA C 57 58.163 58.163 59.941 -1.778 18292 9097 1 15 . 1 1 57 57 VAL CB C 57 33.663 33.663 35.574 -1.911 18292 9098 1 15 . 1 1 57 57 VAL H H 57 8.354 8.354 7.827 0.527 18292 9099 1 15 . 1 1 58 58 TYR N N 58 128.478 128.478 122.500 5.978 18292 9100 1 15 . 1 1 58 58 TYR HA H 58 4.937 4.937 4.699 0.238 18292 9101 1 15 . 1 1 58 58 TYR C C 58 170.605 170.605 174.519 -3.914 18292 9102 1 15 . 1 1 58 58 TYR CA C 58 55.354 55.354 57.206 -1.852 18292 9103 1 15 . 1 1 58 58 TYR CB C 58 37.775 37.775 41.074 -3.299 18292 9104 1 15 . 1 1 58 58 TYR H H 58 9.275 9.275 8.653 0.622 18292 9105 1 15 . 1 1 59 59 VAL N N 59 123.117 123.117 122.012 1.105 18292 9106 1 15 . 1 1 59 59 VAL HA H 59 4.462 4.462 4.647 -0.185 18292 9107 1 15 . 1 1 59 59 VAL C C 59 170.875 170.875 173.899 -3.024 18292 9108 1 15 . 1 1 59 59 VAL CA C 59 58.527 58.527 60.070 -1.543 18292 9109 1 15 . 1 1 59 59 VAL CB C 59 32.611 32.611 35.601 -2.990 18292 9110 1 15 . 1 1 59 59 VAL H H 59 8.860 8.860 8.918 -0.058 18292 9111 1 15 . 1 1 60 60 LYS N N 60 123.266 123.266 125.262 -1.996 18292 9112 1 15 . 1 1 60 60 LYS HA H 60 4.745 4.745 4.889 -0.144 18292 9113 1 15 . 1 1 60 60 LYS C C 60 173.399 173.399 175.163 -1.764 18292 9114 1 15 . 1 1 60 60 LYS CA C 60 52.207 52.207 55.140 -2.933 18292 9115 1 15 . 1 1 60 60 LYS CB C 60 34.244 34.244 35.861 -1.617 18292 9116 1 15 . 1 1 60 60 LYS H H 60 8.668 8.668 8.555 0.113 18292 9117 1 15 . 1 1 61 61 CYS N N 61 125.267 125.267 126.071 -0.804 18292 9118 1 15 . 1 1 61 61 CYS HA H 61 4.740 4.740 4.770 -0.030 18292 9119 1 15 . 1 1 61 61 CYS CA C 61 56.393 56.393 56.473 -0.080 18292 9120 1 15 . 1 1 61 61 CYS CB C 61 27.416 27.416 28.486 -1.071 18292 9121 1 15 . 1 1 61 61 CYS H H 61 9.207 9.207 9.034 0.173 18292 9122 1 15 . 1 1 62 62 PRO HA H 62 4.266 4.266 4.470 -0.204 18292 9123 1 15 . 1 1 62 62 PRO C C 62 171.443 171.443 175.984 -4.541 18292 9124 1 15 . 1 1 62 62 PRO CA C 62 61.167 61.167 64.053 -2.886 18292 9125 1 15 . 1 1 62 62 PRO CB C 62 29.450 29.450 32.285 -2.835 18292 9126 1 15 . 1 1 63 63 SER N N 63 108.558 108.558 113.116 -4.558 18292 9127 1 15 . 1 1 63 63 SER HA H 63 4.606 4.606 4.717 -0.111 18292 9128 1 15 . 1 1 63 63 SER C C 63 171.147 171.147 174.465 -3.318 18292 9129 1 15 . 1 1 63 63 SER CA C 63 53.259 53.259 56.913 -3.654 18292 9130 1 15 . 1 1 63 63 SER CB C 63 63.378 63.378 66.663 -3.285 18292 9131 1 15 . 1 1 63 63 SER H H 63 6.990 6.990 7.701 -0.711 18292 9132 1 15 . 1 1 64 64 ILE N N 64 122.885 122.885 124.036 -1.151 18292 9133 1 15 . 1 1 64 64 ILE HA H 64 3.462 3.462 3.797 -0.335 18292 9134 1 15 . 1 1 64 64 ILE C C 64 174.204 174.204 177.613 -3.409 18292 9135 1 15 . 1 1 64 64 ILE CA C 64 62.955 62.955 65.232 -2.277 18292 9136 1 15 . 1 1 64 64 ILE CB C 64 35.297 35.297 37.924 -2.627 18292 9137 1 15 . 1 1 64 64 ILE H H 64 8.786 8.786 8.807 -0.021 18292 9138 1 15 . 1 1 65 65 ALA N N 65 120.653 120.653 123.107 -2.454 18292 9139 1 15 . 1 1 65 65 ALA HA H 65 3.890 3.890 3.911 -0.021 18292 9140 1 15 . 1 1 65 65 ALA C C 65 177.926 177.926 179.171 -1.245 18292 9141 1 15 . 1 1 65 65 ALA CA C 65 52.772 52.772 55.335 -2.563 18292 9142 1 15 . 1 1 65 65 ALA CB C 65 15.552 15.552 17.769 -2.217 18292 9143 1 15 . 1 1 65 65 ALA H H 65 8.287 8.287 8.411 -0.124 18292 9144 1 15 . 1 1 66 66 ALA N N 66 119.802 119.802 121.243 -1.441 18292 9145 1 15 . 1 1 66 66 ALA HA H 66 4.344 4.344 3.947 0.397 18292 9146 1 15 . 1 1 66 66 ALA C C 66 176.063 176.063 179.148 -3.085 18292 9147 1 15 . 1 1 66 66 ALA CA C 66 52.108 52.108 54.880 -2.772 18292 9148 1 15 . 1 1 66 66 ALA CB C 66 16.106 16.106 18.270 -2.164 18292 9149 1 15 . 1 1 66 66 ALA H H 66 7.952 7.952 7.832 0.120 18292 9150 1 15 . 1 1 67 67 ALA N N 67 121.626 121.626 122.016 -0.390 18292 9151 1 15 . 1 1 67 67 ALA HA H 67 4.398 4.398 3.937 0.461 18292 9152 1 15 . 1 1 67 67 ALA C C 67 175.824 175.824 179.374 -3.550 18292 9153 1 15 . 1 1 67 67 ALA CA C 67 53.135 53.135 54.706 -1.571 18292 9154 1 15 . 1 1 67 67 ALA CB C 67 17.020 17.020 18.429 -1.409 18292 9155 1 15 . 1 1 67 67 ALA H H 67 7.332 7.332 7.377 -0.045 18292 9156 1 15 . 1 1 68 68 ILE N N 68 117.793 117.793 120.135 -2.342 18292 9157 1 15 . 1 1 68 68 ILE HA H 68 4.185 4.185 3.706 0.479 18292 9158 1 15 . 1 1 68 68 ILE C C 68 176.163 176.163 178.281 -2.118 18292 9159 1 15 . 1 1 68 68 ILE CA C 68 61.323 61.323 65.332 -4.009 18292 9160 1 15 . 1 1 68 68 ILE CB C 68 36.657 36.657 37.868 -1.211 18292 9161 1 15 . 1 1 68 68 ILE H H 68 8.655 8.655 8.418 0.237 18292 9162 1 15 . 1 1 69 69 ALA N N 69 119.051 119.051 120.649 -1.598 18292 9163 1 15 . 1 1 69 69 ALA HA H 69 3.836 3.836 3.791 0.045 18292 9164 1 15 . 1 1 69 69 ALA C C 69 177.325 177.325 179.064 -1.739 18292 9165 1 15 . 1 1 69 69 ALA CA C 69 51.781 51.781 54.814 -3.033 18292 9166 1 15 . 1 1 69 69 ALA CB C 69 15.767 15.767 17.903 -2.136 18292 9167 1 15 . 1 1 69 69 ALA H H 69 7.377 7.377 7.648 -0.271 18292 9168 1 15 . 1 1 70 70 ALA N N 70 121.378 121.378 121.818 -0.440 18292 9169 1 15 . 1 1 70 70 ALA HA H 70 3.544 3.544 3.912 -0.368 18292 9170 1 15 . 1 1 70 70 ALA C C 70 176.012 176.012 179.214 -3.202 18292 9171 1 15 . 1 1 70 70 ALA CA C 70 52.966 52.966 54.485 -1.519 18292 9172 1 15 . 1 1 70 70 ALA CB C 70 16.740 16.740 18.009 -1.269 18292 9173 1 15 . 1 1 70 70 ALA H H 70 7.798 7.798 7.489 0.309 18292 9174 1 15 . 1 1 71 71 VAL N N 71 119.944 119.944 118.530 1.414 18292 9175 1 15 . 1 1 71 71 VAL HA H 71 2.524 2.524 3.094 -0.570 18292 9176 1 15 . 1 1 71 71 VAL C C 71 175.408 175.408 177.912 -2.504 18292 9177 1 15 . 1 1 71 71 VAL CA C 71 64.993 64.993 66.913 -1.920 18292 9178 1 15 . 1 1 71 71 VAL CB C 71 28.184 28.184 30.823 -2.639 18292 9179 1 15 . 1 1 71 71 VAL H H 71 8.662 8.662 7.734 0.928 18292 9180 1 15 . 1 1 72 72 ASN N N 72 114.981 114.981 116.097 -1.116 18292 9181 1 15 . 1 1 72 72 ASN HA H 72 4.244 4.244 4.388 -0.144 18292 9182 1 15 . 1 1 72 72 ASN C C 72 174.490 174.490 176.107 -1.617 18292 9183 1 15 . 1 1 72 72 ASN CA C 72 52.776 52.776 55.771 -2.995 18292 9184 1 15 . 1 1 72 72 ASN CB C 72 35.394 35.394 38.564 -3.170 18292 9185 1 15 . 1 1 72 72 ASN H H 72 8.061 8.061 7.956 0.105 18292 9186 1 15 . 1 1 73 73 ALA N N 73 120.308 120.308 121.326 -1.018 18292 9187 1 15 . 1 1 73 73 ALA HA H 73 4.162 4.162 4.227 -0.065 18292 9188 1 15 . 1 1 73 73 ALA C C 73 176.245 176.245 178.755 -2.510 18292 9189 1 15 . 1 1 73 73 ALA CA C 73 51.058 51.058 54.239 -3.181 18292 9190 1 15 . 1 1 73 73 ALA CB C 73 17.457 17.457 19.326 -1.869 18292 9191 1 15 . 1 1 73 73 ALA H H 73 7.230 7.230 7.281 -0.051 18292 9192 1 15 . 1 1 74 74 LEU N N 74 118.156 118.156 116.243 1.913 18292 9193 1 15 . 1 1 74 74 LEU HA H 74 4.021 4.021 4.101 -0.080 18292 9194 1 15 . 1 1 74 74 LEU C C 74 173.863 173.863 177.522 -3.659 18292 9195 1 15 . 1 1 74 74 LEU CA C 74 53.853 53.853 56.499 -2.646 18292 9196 1 15 . 1 1 74 74 LEU CB C 74 41.552 41.552 42.663 -1.111 18292 9197 1 15 . 1 1 74 74 LEU H H 74 7.856 7.856 7.758 0.098 18292 9198 1 15 . 1 1 75 75 HIS N N 75 117.126 117.126 118.541 -1.415 18292 9199 1 15 . 1 1 75 75 HIS HA H 75 3.830 3.830 4.245 -0.415 18292 9200 1 15 . 1 1 75 75 HIS C C 75 174.851 174.851 176.358 -1.507 18292 9201 1 15 . 1 1 75 75 HIS CA C 75 56.621 56.621 58.245 -1.625 18292 9202 1 15 . 1 1 75 75 HIS CB C 75 28.299 28.299 29.416 -1.117 18292 9203 1 15 . 1 1 75 75 HIS H H 75 8.434 8.434 8.109 0.325 18292 9204 1 15 . 1 1 76 76 GLY N N 76 116.761 116.761 116.402 0.359 18292 9205 1 15 . 1 1 76 76 GLY CA C 76 42.221 42.221 44.830 -2.609 18292 9206 1 15 . 1 1 76 76 GLY H H 76 8.418 8.418 8.663 -0.245 18292 9207 1 15 . 1 1 77 77 ARG N N 77 120.430 120.430 120.242 0.188 18292 9208 1 15 . 1 1 77 77 ARG HA H 77 4.248 4.248 4.325 -0.077 18292 9209 1 15 . 1 1 77 77 ARG C C 77 173.536 173.536 175.134 -1.598 18292 9210 1 15 . 1 1 77 77 ARG CA C 77 53.029 53.029 56.409 -3.380 18292 9211 1 15 . 1 1 77 77 ARG CB C 77 29.058 29.058 31.552 -2.494 18292 9212 1 15 . 1 1 77 77 ARG H H 77 7.385 7.385 7.570 -0.185 18292 9213 1 15 . 1 1 78 78 TRP N N 78 122.989 122.989 123.317 -0.328 18292 9214 1 15 . 1 1 78 78 TRP HA H 78 4.941 4.941 4.948 -0.007 18292 9215 1 15 . 1 1 78 78 TRP C C 78 173.888 173.888 175.983 -2.095 18292 9216 1 15 . 1 1 78 78 TRP CA C 78 54.234 54.234 57.445 -3.211 18292 9217 1 15 . 1 1 78 78 TRP CB C 78 26.923 26.923 30.757 -3.834 18292 9218 1 15 . 1 1 78 78 TRP H H 78 8.463 8.463 8.430 0.033 18292 9219 1 15 . 1 1 79 79 PHE N N 79 126.899 126.899 123.790 3.109 18292 9220 1 15 . 1 1 79 79 PHE HA H 79 4.637 4.637 4.740 -0.103 18292 9221 1 15 . 1 1 79 79 PHE C C 79 171.696 171.696 177.386 -5.690 18292 9222 1 15 . 1 1 79 79 PHE CA C 79 54.624 54.624 57.157 -2.533 18292 9223 1 15 . 1 1 79 79 PHE CB C 79 39.577 39.577 41.373 -1.796 18292 9224 1 15 . 1 1 79 79 PHE H H 79 9.500 9.500 9.166 0.334 18292 9225 1 15 . 1 1 80 80 ALA N N 80 130.285 130.285 123.897 6.388 18292 9226 1 15 . 1 1 80 80 ALA HA H 80 3.705 3.705 4.179 -0.474 18292 9227 1 15 . 1 1 80 80 ALA C C 80 174.560 174.560 177.185 -2.625 18292 9228 1 15 . 1 1 80 80 ALA CA C 80 49.993 49.993 53.936 -3.943 18292 9229 1 15 . 1 1 80 80 ALA CB C 80 14.479 14.479 17.674 -3.195 18292 9230 1 15 . 1 1 80 80 ALA H H 80 8.840 8.840 8.167 0.673 18292 9231 1 15 . 1 1 81 81 GLY N N 81 102.771 102.771 104.394 -1.623 18292 9232 1 15 . 1 1 81 81 GLY C C 81 171.087 171.087 173.400 -2.313 18292 9233 1 15 . 1 1 81 81 GLY CA C 81 42.891 42.891 45.252 -2.361 18292 9234 1 15 . 1 1 81 81 GLY H H 81 8.268 8.268 8.396 -0.128 18292 9235 1 15 . 1 1 82 82 LYS N N 82 120.307 120.307 117.616 2.691 18292 9236 1 15 . 1 1 82 82 LYS HA H 82 4.469 4.469 4.645 -0.176 18292 9237 1 15 . 1 1 82 82 LYS C C 82 170.688 170.688 173.600 -2.912 18292 9238 1 15 . 1 1 82 82 LYS CA C 82 52.029 52.029 55.253 -3.224 18292 9239 1 15 . 1 1 82 82 LYS CB C 82 32.776 32.776 33.978 -1.202 18292 9240 1 15 . 1 1 82 82 LYS H H 82 7.791 7.791 7.941 -0.150 18292 9241 1 15 . 1 1 83 83 MET N N 83 121.212 121.212 120.013 1.199 18292 9242 1 15 . 1 1 83 83 MET HA H 83 3.871 3.871 4.055 -0.184 18292 9243 1 15 . 1 1 83 83 MET C C 83 173.474 173.474 174.761 -1.287 18292 9244 1 15 . 1 1 83 83 MET CA C 83 51.968 51.968 54.702 -2.734 18292 9245 1 15 . 1 1 83 83 MET CB C 83 30.275 30.275 33.419 -3.144 18292 9246 1 15 . 1 1 83 83 MET H H 83 7.953 7.953 8.192 -0.239 18292 9247 1 15 . 1 1 84 84 ILE N N 84 128.512 128.512 125.222 3.290 18292 9248 1 15 . 1 1 84 84 ILE HA H 84 4.230 4.230 4.268 -0.038 18292 9249 1 15 . 1 1 84 84 ILE C C 84 173.459 173.459 174.695 -1.236 18292 9250 1 15 . 1 1 84 84 ILE CA C 84 58.832 58.832 58.869 -0.037 18292 9251 1 15 . 1 1 84 84 ILE CB C 84 36.088 36.088 38.301 -2.213 18292 9252 1 15 . 1 1 84 84 ILE H H 84 8.683 8.683 8.813 -0.130 18292 9253 1 15 . 1 1 85 85 THR N N 85 115.456 115.456 117.113 -1.657 18292 9254 1 15 . 1 1 85 85 THR HA H 85 4.825 4.825 4.971 -0.146 18292 9255 1 15 . 1 1 85 85 THR CA C 85 56.520 56.520 60.934 -4.414 18292 9256 1 15 . 1 1 85 85 THR CB C 85 68.803 68.803 70.989 -2.186 18292 9257 1 15 . 1 1 85 85 THR H H 85 7.318 7.318 8.136 -0.818 18292 9258 1 15 . 1 1 86 86 ALA N N 86 128.004 128.004 128.793 -0.789 18292 9259 1 15 . 1 1 86 86 ALA HA H 86 5.542 5.542 5.463 0.079 18292 9260 1 15 . 1 1 86 86 ALA C C 86 173.070 173.070 175.613 -2.543 18292 9261 1 15 . 1 1 86 86 ALA CA C 86 47.491 47.491 49.933 -2.442 18292 9262 1 15 . 1 1 86 86 ALA CB C 86 22.241 22.241 21.630 0.611 18292 9263 1 15 . 1 1 86 86 ALA H H 86 10.712 10.712 8.064 2.648 18292 9264 1 15 . 1 1 87 87 ALA N N 87 122.902 122.902 120.393 2.509 18292 9265 1 15 . 1 1 87 87 ALA HA H 87 4.499 4.499 4.843 -0.344 18292 9266 1 15 . 1 1 87 87 ALA C C 87 173.781 173.781 174.997 -1.216 18292 9267 1 15 . 1 1 87 87 ALA CA C 87 47.989 47.989 51.718 -3.729 18292 9268 1 15 . 1 1 87 87 ALA CB C 87 19.981 19.981 21.527 -1.546 18292 9269 1 15 . 1 1 87 87 ALA H H 87 8.413 8.413 8.263 0.150 18292 9270 1 15 . 1 1 88 88 TYR N N 88 120.267 120.267 119.769 0.498 18292 9271 1 15 . 1 1 88 88 TYR HA H 88 4.723 4.723 5.009 -0.286 18292 9272 1 15 . 1 1 88 88 TYR C C 88 173.615 173.615 176.602 -2.987 18292 9273 1 15 . 1 1 88 88 TYR CA C 88 57.556 57.556 58.150 -0.594 18292 9274 1 15 . 1 1 88 88 TYR CB C 88 36.474 36.474 39.942 -3.468 18292 9275 1 15 . 1 1 88 88 TYR H H 88 8.311 8.311 8.575 -0.264 18292 9276 1 15 . 1 1 89 89 VAL N N 89 123.298 123.298 117.566 5.732 18292 9277 1 15 . 1 1 89 89 VAL HA H 89 4.696 4.696 4.793 -0.097 18292 9278 1 15 . 1 1 89 89 VAL CA C 89 55.899 55.899 58.466 -2.567 18292 9279 1 15 . 1 1 89 89 VAL CB C 89 33.445 33.445 32.819 0.625 18292 9280 1 15 . 1 1 89 89 VAL H H 89 8.420 8.420 8.595 -0.175 18292 9281 1 15 . 1 1 90 90 PRO HA H 90 4.450 4.450 4.725 -0.275 18292 9282 1 15 . 1 1 90 90 PRO CA C 90 60.310 60.310 62.762 -2.452 18292 9283 1 15 . 1 1 90 90 PRO CB C 90 30.489 30.489 32.191 -1.702 18292 9284 1 15 . 1 1 91 91 LEU N N 91 126.649 126.649 126.776 -0.127 18292 9285 1 15 . 1 1 91 91 LEU HA H 91 3.975 3.975 4.202 -0.227 18292 9286 1 15 . 1 1 91 91 LEU CA C 91 56.691 56.691 59.989 -3.298 18292 9287 1 15 . 1 1 91 91 LEU CB C 91 37.139 37.139 39.733 -2.594 18292 9288 1 15 . 1 1 91 91 LEU H H 91 8.997 8.997 8.903 0.094 18292 9289 1 15 . 1 1 92 92 PRO HA H 92 4.211 4.211 4.338 -0.127 18292 9290 1 15 . 1 1 92 92 PRO C C 92 177.175 177.175 178.407 -1.232 18292 9291 1 15 . 1 1 92 92 PRO CA C 92 63.104 63.104 65.883 -2.779 18292 9292 1 15 . 1 1 92 92 PRO CB C 92 27.973 27.973 31.117 -3.144 18292 9293 1 15 . 1 1 93 93 THR N N 93 112.839 112.839 115.819 -2.980 18292 9294 1 15 . 1 1 93 93 THR HA H 93 3.827 3.827 4.144 -0.317 18292 9295 1 15 . 1 1 93 93 THR C C 93 172.669 172.669 176.386 -3.717 18292 9296 1 15 . 1 1 93 93 THR CA C 93 63.096 63.096 66.800 -3.704 18292 9297 1 15 . 1 1 93 93 THR CB C 93 65.968 65.968 68.470 -2.502 18292 9298 1 15 . 1 1 93 93 THR H H 93 6.528 6.528 7.641 -1.113 18292 9299 1 15 . 1 1 94 94 TYR N N 94 125.195 125.195 123.278 1.917 18292 9300 1 15 . 1 1 94 94 TYR HA H 94 3.515 3.515 4.197 -0.682 18292 9301 1 15 . 1 1 94 94 TYR C C 94 174.953 174.953 177.613 -2.660 18292 9302 1 15 . 1 1 94 94 TYR CA C 94 60.012 60.012 62.246 -2.234 18292 9303 1 15 . 1 1 94 94 TYR CB C 94 37.588 37.588 38.750 -1.162 18292 9304 1 15 . 1 1 94 94 TYR H H 94 8.263 8.263 8.364 -0.101 18292 9305 1 15 . 1 1 95 95 HIS N N 95 114.994 114.994 117.793 -2.799 18292 9306 1 15 . 1 1 95 95 HIS HA H 95 4.187 4.187 4.439 -0.252 18292 9307 1 15 . 1 1 95 95 HIS C C 95 173.780 173.780 177.071 -3.291 18292 9308 1 15 . 1 1 95 95 HIS CA C 95 53.471 53.471 58.348 -4.877 18292 9309 1 15 . 1 1 95 95 HIS CB C 95 26.528 26.528 29.343 -2.815 18292 9310 1 15 . 1 1 95 95 HIS H H 95 8.529 8.529 8.224 0.305 18292 9311 1 15 . 1 1 96 96 ASN N N 96 116.599 116.599 116.177 0.422 18292 9312 1 15 . 1 1 96 96 ASN HA H 96 4.315 4.315 4.527 -0.212 18292 9313 1 15 . 1 1 96 96 ASN C C 96 175.849 175.849 176.547 -0.698 18292 9314 1 15 . 1 1 96 96 ASN CA C 96 52.814 52.814 55.358 -2.544 18292 9315 1 15 . 1 1 96 96 ASN CB C 96 36.453 36.453 38.627 -2.174 18292 9316 1 15 . 1 1 96 96 ASN H H 96 7.343 7.343 7.988 -0.645 18292 9317 1 15 . 1 1 97 97 LEU N N 97 119.316 119.316 118.266 1.050 18292 9318 1 15 . 1 1 97 97 LEU HA H 97 3.406 3.406 3.938 -0.532 18292 9319 1 15 . 1 1 97 97 LEU CA C 97 54.399 54.399 56.127 -1.728 18292 9320 1 15 . 1 1 97 97 LEU CB C 97 39.614 39.614 42.677 -3.063 18292 9321 1 15 . 1 1 97 97 LEU H H 97 7.299 7.299 7.201 0.098 18292 9322 1 15 . 1 1 98 98 PHE N N 98 113.688 113.688 115.845 -2.157 18292 9323 1 15 . 1 1 98 98 PHE HA H 98 4.696 4.696 4.875 -0.179 18292 9324 1 15 . 1 1 98 98 PHE CA C 98 54.399 54.399 54.611 -0.213 18292 9325 1 15 . 1 1 98 98 PHE CB C 98 35.380 35.380 37.983 -2.603 18292 9326 1 15 . 1 1 98 98 PHE H H 98 7.795 7.795 7.866 -0.071 18292 9327 1 15 . 1 1 99 99 PRO HA H 99 4.430 4.430 4.149 0.281 18292 9328 1 15 . 1 1 99 99 PRO C C 99 176.469 176.469 178.229 -1.760 18292 9329 1 15 . 1 1 99 99 PRO CA C 99 63.174 63.174 65.417 -2.243 18292 9330 1 15 . 1 1 99 99 PRO CB C 99 28.822 28.822 31.647 -2.825 18292 9331 1 15 . 1 1 100 100 ASP N N 100 115.482 115.482 117.865 -2.383 18292 9332 1 15 . 1 1 100 100 ASP HA H 100 4.306 4.306 4.404 -0.098 18292 9333 1 15 . 1 1 100 100 ASP C C 100 174.886 174.886 178.647 -3.761 18292 9334 1 15 . 1 1 100 100 ASP CA C 100 53.064 53.064 57.452 -4.388 18292 9335 1 15 . 1 1 100 100 ASP CB C 100 36.736 36.736 40.116 -3.380 18292 9336 1 15 . 1 1 100 100 ASP H H 100 8.897 8.897 8.974 -0.077 18292 9337 1 15 . 1 1 101 101 SER N N 101 114.743 114.743 115.415 -0.672 18292 9338 1 15 . 1 1 101 101 SER HA H 101 3.876 3.876 4.366 -0.490 18292 9339 1 15 . 1 1 101 101 SER C C 101 173.539 173.539 176.277 -2.738 18292 9340 1 15 . 1 1 101 101 SER CA C 101 58.183 58.183 60.912 -2.729 18292 9341 1 15 . 1 1 101 101 SER CB C 101 61.403 61.403 63.232 -1.829 18292 9342 1 15 . 1 1 101 101 SER H H 101 8.057 8.057 7.728 0.330 18292 9343 1 15 . 1 1 102 102 MET N N 102 122.103 122.103 119.910 2.193 18292 9344 1 15 . 1 1 102 102 MET HA H 102 3.340 3.340 4.579 -1.239 18292 9345 1 15 . 1 1 102 102 MET C C 102 174.488 174.488 176.317 -1.829 18292 9346 1 15 . 1 1 102 102 MET CA C 102 56.606 56.606 57.962 -1.356 18292 9347 1 15 . 1 1 102 102 MET CB C 102 31.312 31.312 32.473 -1.161 18292 9348 1 15 . 1 1 102 102 MET H H 102 7.319 7.319 8.416 -1.097 18292 9349 1 15 . 1 1 103 103 THR N N 103 104.780 104.780 109.721 -4.941 18292 9350 1 15 . 1 1 103 103 THR HA H 103 4.318 4.318 4.581 -0.263 18292 9351 1 15 . 1 1 103 103 THR C C 103 171.121 171.121 174.111 -2.990 18292 9352 1 15 . 1 1 103 103 THR CA C 103 57.203 57.203 60.927 -3.724 18292 9353 1 15 . 1 1 103 103 THR CB C 103 65.753 65.753 69.480 -3.727 18292 9354 1 15 . 1 1 103 103 THR H H 103 7.216 7.216 7.543 -0.327 18292 9355 1 15 . 1 1 104 104 ALA N N 104 125.795 125.795 126.326 -0.531 18292 9356 1 15 . 1 1 104 104 ALA HA H 104 4.347 4.347 4.295 0.052 18292 9357 1 15 . 1 1 104 104 ALA C C 104 174.370 174.370 177.505 -3.135 18292 9358 1 15 . 1 1 104 104 ALA CA C 104 50.244 50.244 52.880 -2.636 18292 9359 1 15 . 1 1 104 104 ALA CB C 104 16.077 16.077 18.062 -1.986 18292 9360 1 15 . 1 1 104 104 ALA H H 104 6.605 6.605 7.334 -0.729 18292 9361 1 15 . 1 1 105 105 THR N N 105 111.482 111.482 116.370 -4.888 18292 9362 1 15 . 1 1 105 105 THR HA H 105 4.390 4.390 4.340 0.050 18292 9363 1 15 . 1 1 105 105 THR C C 105 171.563 171.563 173.880 -2.317 18292 9364 1 15 . 1 1 105 105 THR CA C 105 58.977 58.977 62.880 -3.904 18292 9365 1 15 . 1 1 105 105 THR CB C 105 68.537 68.537 69.124 -0.587 18292 9366 1 15 . 1 1 105 105 THR H H 105 8.698 8.698 8.102 0.596 18292 9367 1 15 . 1 1 106 106 GLN N N 106 123.003 123.003 119.868 3.135 18292 9368 1 15 . 1 1 106 106 GLN HA H 106 4.294 4.294 4.567 -0.273 18292 9369 1 15 . 1 1 106 106 GLN C C 106 172.973 172.973 174.685 -1.712 18292 9370 1 15 . 1 1 106 106 GLN CA C 106 52.710 52.710 53.952 -1.242 18292 9371 1 15 . 1 1 106 106 GLN CB C 106 27.282 27.282 29.373 -2.091 18292 9372 1 15 . 1 1 106 106 GLN H H 106 7.944 7.944 7.741 0.203 18292 9373 1 15 . 1 1 107 107 LEU N N 107 124.765 124.765 125.858 -1.093 18292 9374 1 15 . 1 1 107 107 LEU HA H 107 4.328 4.328 4.570 -0.242 18292 9375 1 15 . 1 1 107 107 LEU C C 107 174.110 174.110 177.153 -3.043 18292 9376 1 15 . 1 1 107 107 LEU CA C 107 52.798 52.798 55.420 -2.622 18292 9377 1 15 . 1 1 107 107 LEU CB C 107 37.829 37.829 42.742 -4.913 18292 9378 1 15 . 1 1 107 107 LEU H H 107 8.390 8.390 8.651 -0.261 18292 9379 1 15 . 1 1 108 108 LEU N N 108 122.332 122.332 120.722 1.610 18292 9380 1 15 . 1 1 108 108 LEU HA H 108 4.259 4.259 4.779 -0.520 18292 9381 1 15 . 1 1 108 108 LEU C C 108 173.870 173.870 175.243 -1.373 18292 9382 1 15 . 1 1 108 108 LEU CA C 108 52.092 52.092 54.318 -2.226 18292 9383 1 15 . 1 1 108 108 LEU CB C 108 39.253 39.253 43.471 -4.218 18292 9384 1 15 . 1 1 108 108 LEU H H 108 8.480 8.480 8.527 -0.048 18292 9385 1 15 . 1 1 109 109 VAL N N 109 115.421 115.421 113.703 1.718 18292 9386 1 15 . 1 1 109 109 VAL HA H 109 4.444 4.444 4.594 -0.150 18292 9387 1 15 . 1 1 109 109 VAL CA C 109 55.640 55.640 58.785 -3.145 18292 9388 1 15 . 1 1 109 109 VAL CB C 109 31.153 31.153 33.212 -2.059 18292 9389 1 15 . 1 1 109 109 VAL H H 109 8.007 8.007 8.139 -0.132 18292 9390 1 15 . 1 1 110 110 PRO HA H 110 4.361 4.361 4.747 -0.386 18292 9391 1 15 . 1 1 110 110 PRO C C 110 173.778 173.778 175.702 -1.924 18292 9392 1 15 . 1 1 110 110 PRO CA C 110 59.737 59.737 62.306 -2.569 18292 9393 1 15 . 1 1 110 110 PRO CB C 110 29.710 29.710 33.146 -3.436 18292 9394 1 15 . 1 1 111 111 SER N N 111 120.434 120.434 115.170 5.264 18292 9395 1 15 . 1 1 111 111 SER HA H 111 4.139 4.139 4.569 -0.430 18292 9396 1 15 . 1 1 111 111 SER C C 111 172.475 172.475 174.626 -2.151 18292 9397 1 15 . 1 1 111 111 SER CA C 111 57.674 57.674 58.876 -1.202 18292 9398 1 15 . 1 1 111 111 SER CB C 111 60.580 60.580 65.441 -4.861 18292 9399 1 15 . 1 1 111 111 SER H H 111 9.945 9.945 9.129 0.816 18292 9400 1 15 . 1 1 112 112 ARG N N 112 121.013 121.013 122.114 -1.101 18292 9401 1 15 . 1 1 112 112 ARG HA H 112 4.253 4.253 4.594 -0.341 18292 9402 1 15 . 1 1 112 112 ARG C C 112 172.216 172.216 174.063 -1.847 18292 9403 1 15 . 1 1 112 112 ARG CA C 112 53.071 53.071 55.922 -2.851 18292 9404 1 15 . 1 1 112 112 ARG CB C 112 27.963 27.963 32.027 -4.064 18292 9405 1 15 . 1 1 112 112 ARG H H 112 7.861 7.861 8.491 -0.630 18292 9406 1 16 . 1 1 2 2 GLN N N 2 125.719 125.719 122.891 2.828 18292 9407 1 16 . 1 1 2 2 GLN HA H 2 4.571 4.571 4.631 -0.060 18292 9408 1 16 . 1 1 2 2 GLN CA C 2 50.502 50.502 54.419 -3.917 18292 9409 1 16 . 1 1 2 2 GLN CB C 2 26.254 26.254 28.929 -2.675 18292 9410 1 16 . 1 1 2 2 GLN H H 2 8.471 8.471 8.256 0.215 18292 9411 1 16 . 1 1 3 3 PRO HA H 3 4.311 4.311 4.309 0.002 18292 9412 1 16 . 1 1 3 3 PRO C C 3 173.634 173.634 175.838 -2.204 18292 9413 1 16 . 1 1 3 3 PRO CA C 3 60.349 60.349 63.125 -2.776 18292 9414 1 16 . 1 1 3 3 PRO CB C 3 29.678 29.678 31.219 -1.541 18292 9415 1 16 . 1 1 4 4 LEU N N 4 122.253 122.253 126.642 -4.389 18292 9416 1 16 . 1 1 4 4 LEU HA H 4 4.133 4.133 4.502 -0.369 18292 9417 1 16 . 1 1 4 4 LEU C C 4 172.946 172.946 176.154 -3.208 18292 9418 1 16 . 1 1 4 4 LEU CA C 4 51.900 51.900 54.459 -2.559 18292 9419 1 16 . 1 1 4 4 LEU CB C 4 39.711 39.711 42.689 -2.978 18292 9420 1 16 . 1 1 4 4 LEU H H 4 7.912 7.912 7.746 0.166 18292 9421 1 16 . 1 1 5 5 ALA N N 5 122.619 122.619 128.421 -5.802 18292 9422 1 16 . 1 1 5 5 ALA HA H 5 2.385 2.385 4.149 -1.764 18292 9423 1 16 . 1 1 5 5 ALA C C 5 174.164 174.164 176.939 -2.775 18292 9424 1 16 . 1 1 5 5 ALA CA C 5 49.205 49.205 52.381 -3.176 18292 9425 1 16 . 1 1 5 5 ALA CB C 5 17.058 17.058 17.549 -0.491 18292 9426 1 16 . 1 1 5 5 ALA H H 5 7.415 7.415 8.493 -1.078 18292 9427 1 16 . 1 1 6 6 THR N N 6 112.768 112.768 113.585 -0.817 18292 9428 1 16 . 1 1 6 6 THR HA H 6 4.393 4.393 4.698 -0.305 18292 9429 1 16 . 1 1 6 6 THR C C 6 168.908 168.908 175.265 -6.357 18292 9430 1 16 . 1 1 6 6 THR CA C 6 56.371 56.371 59.789 -3.418 18292 9431 1 16 . 1 1 6 6 THR CB C 6 68.874 68.874 70.826 -1.952 18292 9432 1 16 . 1 1 6 6 THR H H 6 6.601 6.601 7.939 -1.338 18292 9433 1 16 . 1 1 7 7 GLN N N 7 111.707 111.707 118.032 -6.325 18292 9434 1 16 . 1 1 7 7 GLN HA H 7 4.344 4.344 4.328 0.016 18292 9435 1 16 . 1 1 7 7 GLN C C 7 171.068 171.068 174.757 -3.689 18292 9436 1 16 . 1 1 7 7 GLN CA C 7 53.795 53.795 56.834 -3.039 18292 9437 1 16 . 1 1 7 7 GLN CB C 7 28.252 28.252 28.644 -0.392 18292 9438 1 16 . 1 1 7 7 GLN H H 7 8.547 8.547 8.894 -0.347 18292 9439 1 16 . 1 1 8 8 CYS N N 8 118.669 118.669 116.513 2.156 18292 9440 1 16 . 1 1 8 8 CYS HA H 8 5.389 5.389 4.731 0.658 18292 9441 1 16 . 1 1 8 8 CYS C C 8 171.026 171.026 173.334 -2.308 18292 9442 1 16 . 1 1 8 8 CYS CA C 8 53.652 53.652 57.755 -4.103 18292 9443 1 16 . 1 1 8 8 CYS CB C 8 29.416 29.416 30.173 -0.757 18292 9444 1 16 . 1 1 8 8 CYS H H 8 8.558 8.558 7.688 0.870 18292 9445 1 16 . 1 1 9 9 PHE N N 9 117.117 117.117 118.843 -1.726 18292 9446 1 16 . 1 1 9 9 PHE HA H 9 5.369 5.369 5.204 0.165 18292 9447 1 16 . 1 1 9 9 PHE C C 9 168.313 168.313 172.960 -4.647 18292 9448 1 16 . 1 1 9 9 PHE CA C 9 53.341 53.341 55.200 -1.859 18292 9449 1 16 . 1 1 9 9 PHE CB C 9 39.008 39.008 42.030 -3.022 18292 9450 1 16 . 1 1 9 9 PHE H H 9 9.533 9.533 7.270 2.263 18292 9451 1 16 . 1 1 10 10 GLN N N 10 118.344 118.344 116.285 2.059 18292 9452 1 16 . 1 1 10 10 GLN HA H 10 5.063 5.063 4.953 0.110 18292 9453 1 16 . 1 1 10 10 GLN C C 10 173.280 173.280 174.339 -1.059 18292 9454 1 16 . 1 1 10 10 GLN CA C 10 50.242 50.242 54.441 -4.199 18292 9455 1 16 . 1 1 10 10 GLN CB C 10 30.263 30.263 32.043 -1.780 18292 9456 1 16 . 1 1 10 10 GLN H H 10 9.299 9.299 9.122 0.177 18292 9457 1 16 . 1 1 11 11 LEU N N 11 128.664 128.664 124.771 3.893 18292 9458 1 16 . 1 1 11 11 LEU HA H 11 5.474 5.474 5.100 0.374 18292 9459 1 16 . 1 1 11 11 LEU C C 11 173.987 173.987 177.719 -3.732 18292 9460 1 16 . 1 1 11 11 LEU CA C 11 50.153 50.153 54.106 -3.953 18292 9461 1 16 . 1 1 11 11 LEU CB C 11 41.779 41.779 43.429 -1.650 18292 9462 1 16 . 1 1 11 11 LEU H H 11 9.679 9.679 7.987 1.692 18292 9463 1 16 . 1 1 12 12 SER N N 12 115.661 115.661 114.702 0.959 18292 9464 1 16 . 1 1 12 12 SER HA H 12 4.877 4.877 4.704 0.173 18292 9465 1 16 . 1 1 12 12 SER C C 12 170.086 170.086 172.861 -2.775 18292 9466 1 16 . 1 1 12 12 SER CA C 12 54.698 54.698 58.153 -3.455 18292 9467 1 16 . 1 1 12 12 SER CB C 12 63.054 63.054 63.014 0.041 18292 9468 1 16 . 1 1 12 12 SER H H 12 8.717 8.717 8.205 0.512 18292 9469 1 16 . 1 1 13 13 ASN N N 13 114.812 114.812 117.551 -2.739 18292 9470 1 16 . 1 1 13 13 ASN HA H 13 4.165 4.165 4.576 -0.411 18292 9471 1 16 . 1 1 13 13 ASN C C 13 171.867 171.867 174.292 -2.425 18292 9472 1 16 . 1 1 13 13 ASN CA C 13 51.269 51.269 53.931 -2.662 18292 9473 1 16 . 1 1 13 13 ASN CB C 13 34.988 34.988 39.388 -4.400 18292 9474 1 16 . 1 1 13 13 ASN H H 13 8.563 8.563 8.170 0.393 18292 9475 1 16 . 1 1 14 14 MET N N 14 113.100 113.100 118.418 -5.318 18292 9476 1 16 . 1 1 14 14 MET HA H 14 4.258 4.258 4.135 0.123 18292 9477 1 16 . 1 1 14 14 MET C C 14 171.935 171.935 175.797 -3.862 18292 9478 1 16 . 1 1 14 14 MET CA C 14 53.020 53.020 55.457 -2.437 18292 9479 1 16 . 1 1 14 14 MET CB C 14 29.746 29.746 33.188 -3.442 18292 9480 1 16 . 1 1 14 14 MET H H 14 8.261 8.261 7.834 0.427 18292 9481 1 16 . 1 1 15 15 PHE N N 15 108.769 108.769 112.945 -4.176 18292 9482 1 16 . 1 1 15 15 PHE HA H 15 4.485 4.485 4.703 -0.218 18292 9483 1 16 . 1 1 15 15 PHE C C 15 170.024 170.024 173.062 -3.038 18292 9484 1 16 . 1 1 15 15 PHE CA C 15 53.080 53.080 55.798 -2.718 18292 9485 1 16 . 1 1 15 15 PHE CB C 15 36.300 36.300 39.533 -3.233 18292 9486 1 16 . 1 1 15 15 PHE H H 15 6.804 6.804 7.061 -0.257 18292 9487 1 16 . 1 1 16 16 ASN N N 16 117.922 117.922 118.493 -0.571 18292 9488 1 16 . 1 1 16 16 ASN HA H 16 4.932 4.932 5.112 -0.180 18292 9489 1 16 . 1 1 16 16 ASN CA C 16 47.510 47.510 50.567 -3.057 18292 9490 1 16 . 1 1 16 16 ASN CB C 16 36.512 36.512 39.233 -2.720 18292 9491 1 16 . 1 1 16 16 ASN H H 16 8.681 8.681 8.556 0.125 18292 9492 1 16 . 1 1 17 17 PRO HA H 17 4.102 4.102 4.556 -0.454 18292 9493 1 16 . 1 1 17 17 PRO C C 17 174.773 174.773 176.495 -1.722 18292 9494 1 16 . 1 1 17 17 PRO CA C 17 61.933 61.933 64.233 -2.300 18292 9495 1 16 . 1 1 17 17 PRO CB C 17 29.557 29.557 32.251 -2.694 18292 9496 1 16 . 1 1 18 18 GLN N N 18 116.462 116.462 116.809 -0.347 18292 9497 1 16 . 1 1 18 18 GLN HA H 18 4.146 4.146 4.506 -0.360 18292 9498 1 16 . 1 1 18 18 GLN C C 18 174.423 174.423 175.046 -0.623 18292 9499 1 16 . 1 1 18 18 GLN CA C 18 54.067 54.067 55.450 -1.383 18292 9500 1 16 . 1 1 18 18 GLN CB C 18 26.326 26.326 29.337 -3.011 18292 9501 1 16 . 1 1 18 18 GLN H H 18 7.934 7.934 7.943 -0.009 18292 9502 1 16 . 1 1 19 19 THR N N 19 112.362 112.362 115.213 -2.851 18292 9503 1 16 . 1 1 19 19 THR HA H 19 4.176 4.176 4.439 -0.263 18292 9504 1 16 . 1 1 19 19 THR C C 19 171.908 171.908 173.518 -1.610 18292 9505 1 16 . 1 1 19 19 THR CA C 19 59.509 59.509 61.659 -2.150 18292 9506 1 16 . 1 1 19 19 THR CB C 19 66.360 66.360 68.809 -2.449 18292 9507 1 16 . 1 1 19 19 THR H H 19 7.723 7.723 8.076 -0.353 18292 9508 1 16 . 1 1 20 20 GLU N N 20 120.326 120.326 120.638 -0.312 18292 9509 1 16 . 1 1 20 20 GLU HA H 20 3.658 3.658 4.269 -0.611 18292 9510 1 16 . 1 1 20 20 GLU C C 20 173.311 173.311 175.415 -2.104 18292 9511 1 16 . 1 1 20 20 GLU CA C 20 53.164 53.164 55.096 -1.932 18292 9512 1 16 . 1 1 20 20 GLU CB C 20 25.837 25.837 30.161 -4.324 18292 9513 1 16 . 1 1 20 20 GLU H H 20 7.312 7.312 7.666 -0.354 18292 9514 1 16 . 1 1 21 21 GLU N N 21 120.796 120.796 121.182 -0.386 18292 9515 1 16 . 1 1 21 21 GLU HA H 21 4.162 4.162 4.434 -0.272 18292 9516 1 16 . 1 1 21 21 GLU C C 21 173.747 173.747 175.580 -1.833 18292 9517 1 16 . 1 1 21 21 GLU CA C 21 53.873 53.873 56.210 -2.337 18292 9518 1 16 . 1 1 21 21 GLU CB C 21 28.445 28.445 30.485 -2.040 18292 9519 1 16 . 1 1 21 21 GLU H H 21 8.011 8.011 8.476 -0.465 18292 9520 1 16 . 1 1 22 22 GLU N N 22 121.370 121.370 119.575 1.795 18292 9521 1 16 . 1 1 22 22 GLU HA H 22 4.393 4.393 4.567 -0.174 18292 9522 1 16 . 1 1 22 22 GLU C C 22 173.536 173.536 175.298 -1.762 18292 9523 1 16 . 1 1 22 22 GLU CA C 22 52.982 52.982 55.240 -2.258 18292 9524 1 16 . 1 1 22 22 GLU CB C 22 28.012 28.012 31.728 -3.716 18292 9525 1 16 . 1 1 22 22 GLU H H 22 8.039 8.039 8.039 -0.000 18292 9526 1 16 . 1 1 23 23 VAL N N 23 123.340 123.340 121.451 1.889 18292 9527 1 16 . 1 1 23 23 VAL HA H 23 3.901 3.901 4.295 -0.394 18292 9528 1 16 . 1 1 23 23 VAL C C 23 175.077 175.077 176.916 -1.839 18292 9529 1 16 . 1 1 23 23 VAL CA C 23 61.540 61.540 62.867 -1.327 18292 9530 1 16 . 1 1 23 23 VAL CB C 23 29.361 29.361 32.603 -3.242 18292 9531 1 16 . 1 1 23 23 VAL H H 23 8.447 8.447 8.422 0.025 18292 9532 1 16 . 1 1 24 24 GLY N N 24 114.476 114.476 116.419 -1.943 18292 9533 1 16 . 1 1 24 24 GLY C C 24 173.717 173.717 175.473 -1.756 18292 9534 1 16 . 1 1 24 24 GLY CA C 24 42.667 42.667 45.167 -2.500 18292 9535 1 16 . 1 1 24 24 GLY H H 24 9.087 9.087 8.784 0.303 18292 9536 1 16 . 1 1 25 25 TRP N N 25 121.382 121.382 120.913 0.469 18292 9537 1 16 . 1 1 25 25 TRP HA H 25 4.214 4.214 4.696 -0.482 18292 9538 1 16 . 1 1 25 25 TRP C C 25 174.056 174.056 176.031 -1.975 18292 9539 1 16 . 1 1 25 25 TRP CA C 25 56.093 56.093 57.905 -1.812 18292 9540 1 16 . 1 1 25 25 TRP CB C 25 25.016 25.016 28.482 -3.466 18292 9541 1 16 . 1 1 26 26 ASP N N 26 118.789 118.789 120.188 -1.399 18292 9542 1 16 . 1 1 26 26 ASP HA H 26 3.261 3.261 4.222 -0.961 18292 9543 1 16 . 1 1 26 26 ASP C C 26 174.709 174.709 178.215 -3.506 18292 9544 1 16 . 1 1 26 26 ASP CA C 26 52.705 52.705 56.638 -3.933 18292 9545 1 16 . 1 1 26 26 ASP CB C 26 34.503 34.503 39.452 -4.949 18292 9546 1 16 . 1 1 26 26 ASP H H 26 7.939 7.939 7.926 0.013 18292 9547 1 16 . 1 1 27 27 THR N N 27 118.934 118.934 116.107 2.827 18292 9548 1 16 . 1 1 27 27 THR HA H 27 3.552 3.552 3.981 -0.429 18292 9549 1 16 . 1 1 27 27 THR C C 27 172.390 172.390 176.691 -4.301 18292 9550 1 16 . 1 1 27 27 THR CA C 27 63.307 63.307 66.821 -3.514 18292 9551 1 16 . 1 1 27 27 THR CB C 27 65.331 65.331 68.598 -3.267 18292 9552 1 16 . 1 1 27 27 THR H H 27 7.103 7.103 8.269 -1.166 18292 9553 1 16 . 1 1 28 28 GLU N N 28 120.484 120.484 121.155 -0.671 18292 9554 1 16 . 1 1 28 28 GLU HA H 28 3.978 3.978 4.129 -0.151 18292 9555 1 16 . 1 1 28 28 GLU C C 28 175.447 175.447 179.233 -3.786 18292 9556 1 16 . 1 1 28 28 GLU CA C 28 56.760 56.760 60.238 -3.478 18292 9557 1 16 . 1 1 28 28 GLU CB C 28 26.418 26.418 29.365 -2.947 18292 9558 1 16 . 1 1 28 28 GLU H H 28 7.473 7.473 8.267 -0.794 18292 9559 1 16 . 1 1 29 29 ILE N N 29 116.961 116.961 119.363 -2.402 18292 9560 1 16 . 1 1 29 29 ILE HA H 29 3.773 3.773 3.881 -0.108 18292 9561 1 16 . 1 1 29 29 ILE C C 29 174.605 174.605 178.048 -3.443 18292 9562 1 16 . 1 1 29 29 ILE CA C 29 61.243 61.243 65.152 -3.909 18292 9563 1 16 . 1 1 29 29 ILE CB C 29 35.267 35.267 37.531 -2.264 18292 9564 1 16 . 1 1 29 29 ILE H H 29 7.113 7.113 7.665 -0.552 18292 9565 1 16 . 1 1 30 30 LYS N N 30 118.457 118.457 120.625 -2.168 18292 9566 1 16 . 1 1 30 30 LYS HA H 30 3.430 3.430 3.957 -0.527 18292 9567 1 16 . 1 1 30 30 LYS C C 30 174.886 174.886 178.580 -3.694 18292 9568 1 16 . 1 1 30 30 LYS CA C 30 57.872 57.872 59.939 -2.067 18292 9569 1 16 . 1 1 30 30 LYS CB C 30 29.680 29.680 32.113 -2.433 18292 9570 1 16 . 1 1 30 30 LYS H H 30 7.480 7.480 8.147 -0.667 18292 9571 1 16 . 1 1 31 31 ASP N N 31 118.630 118.630 120.045 -1.415 18292 9572 1 16 . 1 1 31 31 ASP HA H 31 4.233 4.233 4.344 -0.111 18292 9573 1 16 . 1 1 31 31 ASP C C 31 175.558 175.558 178.080 -2.522 18292 9574 1 16 . 1 1 31 31 ASP CA C 31 55.137 55.137 57.753 -2.616 18292 9575 1 16 . 1 1 31 31 ASP CB C 31 36.829 36.829 40.679 -3.850 18292 9576 1 16 . 1 1 31 31 ASP H H 31 8.334 8.334 7.974 0.360 18292 9577 1 16 . 1 1 32 32 ASP N N 32 120.576 120.576 120.219 0.357 18292 9578 1 16 . 1 1 32 32 ASP HA H 32 4.277 4.277 4.441 -0.164 18292 9579 1 16 . 1 1 32 32 ASP C C 32 176.966 176.966 178.957 -1.991 18292 9580 1 16 . 1 1 32 32 ASP CA C 32 54.829 54.829 57.725 -2.896 18292 9581 1 16 . 1 1 32 32 ASP CB C 32 37.331 37.331 41.076 -3.745 18292 9582 1 16 . 1 1 32 32 ASP H H 32 8.189 8.189 8.298 -0.109 18292 9583 1 16 . 1 1 33 33 VAL N N 33 121.083 121.083 118.950 2.133 18292 9584 1 16 . 1 1 33 33 VAL HA H 33 3.444 3.444 3.786 -0.342 18292 9585 1 16 . 1 1 33 33 VAL C C 33 175.529 175.529 178.204 -2.675 18292 9586 1 16 . 1 1 33 33 VAL CA C 33 64.511 64.511 65.915 -1.404 18292 9587 1 16 . 1 1 33 33 VAL CB C 33 28.920 28.920 31.915 -2.995 18292 9588 1 16 . 1 1 33 33 VAL H H 33 8.069 8.069 7.439 0.630 18292 9589 1 16 . 1 1 34 34 ILE N N 34 122.145 122.145 121.510 0.635 18292 9590 1 16 . 1 1 34 34 ILE HA H 34 3.272 3.272 3.612 -0.340 18292 9591 1 16 . 1 1 34 34 ILE C C 34 174.723 174.723 177.875 -3.152 18292 9592 1 16 . 1 1 34 34 ILE CA C 34 63.723 63.723 65.916 -2.193 18292 9593 1 16 . 1 1 34 34 ILE CB C 34 35.949 35.949 37.489 -1.540 18292 9594 1 16 . 1 1 34 34 ILE H H 34 8.887 8.887 7.714 1.173 18292 9595 1 16 . 1 1 35 35 GLU N N 35 117.927 117.927 119.391 -1.464 18292 9596 1 16 . 1 1 35 35 GLU HA H 35 3.830 3.830 3.888 -0.058 18292 9597 1 16 . 1 1 35 35 GLU C C 35 176.747 176.747 179.232 -2.485 18292 9598 1 16 . 1 1 35 35 GLU CA C 35 57.183 57.183 60.347 -3.164 18292 9599 1 16 . 1 1 35 35 GLU CB C 35 26.969 26.969 29.213 -2.244 18292 9600 1 16 . 1 1 35 35 GLU H H 35 8.565 8.565 8.496 0.069 18292 9601 1 16 . 1 1 36 36 GLU N N 36 117.299 117.299 119.479 -2.180 18292 9602 1 16 . 1 1 36 36 GLU HA H 36 4.012 4.012 4.105 -0.093 18292 9603 1 16 . 1 1 36 36 GLU C C 36 176.604 176.604 179.062 -2.458 18292 9604 1 16 . 1 1 36 36 GLU CA C 36 56.357 56.357 59.455 -3.098 18292 9605 1 16 . 1 1 36 36 GLU CB C 36 26.612 26.612 29.574 -2.962 18292 9606 1 16 . 1 1 36 36 GLU H H 36 7.523 7.523 7.764 -0.241 18292 9607 1 16 . 1 1 37 37 CYS N N 37 116.308 116.308 117.386 -1.078 18292 9608 1 16 . 1 1 37 37 CYS HA H 37 4.141 4.141 4.302 -0.161 18292 9609 1 16 . 1 1 37 37 CYS C C 37 175.888 175.888 176.925 -1.037 18292 9610 1 16 . 1 1 37 37 CYS CA C 37 61.915 61.915 64.335 -2.420 18292 9611 1 16 . 1 1 37 37 CYS CB C 37 24.513 24.513 27.170 -2.657 18292 9612 1 16 . 1 1 37 37 CYS H H 37 8.754 8.754 8.394 0.360 18292 9613 1 16 . 1 1 38 38 ASN N N 38 121.598 121.598 119.041 2.557 18292 9614 1 16 . 1 1 38 38 ASN HA H 38 4.452 4.452 4.467 -0.015 18292 9615 1 16 . 1 1 38 38 ASN C C 38 174.340 174.340 176.954 -2.614 18292 9616 1 16 . 1 1 38 38 ASN CA C 38 52.249 52.249 55.692 -3.443 18292 9617 1 16 . 1 1 38 38 ASN CB C 38 34.488 34.488 38.118 -3.630 18292 9618 1 16 . 1 1 38 38 ASN H H 38 8.800 8.800 8.474 0.326 18292 9619 1 16 . 1 1 39 39 LYS N N 39 119.297 119.297 117.364 1.933 18292 9620 1 16 . 1 1 39 39 LYS HA H 39 4.002 4.002 3.946 0.056 18292 9621 1 16 . 1 1 39 39 LYS C C 39 174.388 174.388 178.480 -4.092 18292 9622 1 16 . 1 1 39 39 LYS CA C 39 55.239 55.239 58.528 -3.289 18292 9623 1 16 . 1 1 39 39 LYS CB C 39 29.477 29.477 32.270 -2.793 18292 9624 1 16 . 1 1 39 39 LYS H H 39 7.427 7.427 7.624 -0.197 18292 9625 1 16 . 1 1 40 40 HIS N N 40 114.421 114.421 114.085 0.336 18292 9626 1 16 . 1 1 40 40 HIS HA H 40 4.896 4.896 4.661 0.235 18292 9627 1 16 . 1 1 40 40 HIS C C 40 171.895 171.895 176.556 -4.661 18292 9628 1 16 . 1 1 40 40 HIS CA C 40 51.758 51.758 57.351 -5.593 18292 9629 1 16 . 1 1 40 40 HIS CB C 40 28.775 28.775 31.223 -2.448 18292 9630 1 16 . 1 1 40 40 HIS H H 40 7.453 7.453 7.475 -0.022 18292 9631 1 16 . 1 1 41 41 GLY N N 41 106.587 106.587 104.247 2.340 18292 9632 1 16 . 1 1 41 41 GLY C C 41 171.376 171.376 173.431 -2.055 18292 9633 1 16 . 1 1 41 41 GLY CA C 41 42.388 42.388 45.388 -3.000 18292 9634 1 16 . 1 1 41 41 GLY H H 41 7.599 7.599 8.488 -0.889 18292 9635 1 16 . 1 1 42 42 GLY N N 42 107.066 107.066 108.817 -1.751 18292 9636 1 16 . 1 1 42 42 GLY C C 42 169.120 169.120 172.456 -3.336 18292 9637 1 16 . 1 1 42 42 GLY CA C 42 41.518 41.518 44.830 -3.312 18292 9638 1 16 . 1 1 42 42 GLY H H 42 7.942 7.942 8.093 -0.151 18292 9639 1 16 . 1 1 43 43 VAL N N 43 114.640 114.640 118.713 -4.073 18292 9640 1 16 . 1 1 43 43 VAL HA H 43 4.527 4.527 4.512 0.015 18292 9641 1 16 . 1 1 43 43 VAL C C 43 169.861 169.861 174.269 -4.408 18292 9642 1 16 . 1 1 43 43 VAL CA C 43 58.404 58.404 60.620 -2.216 18292 9643 1 16 . 1 1 43 43 VAL CB C 43 31.692 31.692 35.274 -3.582 18292 9644 1 16 . 1 1 43 43 VAL H H 43 8.679 8.679 8.463 0.216 18292 9645 1 16 . 1 1 44 44 ILE N N 44 115.792 115.792 119.060 -3.268 18292 9646 1 16 . 1 1 44 44 ILE HA H 44 4.918 4.918 4.960 -0.042 18292 9647 1 16 . 1 1 44 44 ILE C C 44 172.246 172.246 174.632 -2.386 18292 9648 1 16 . 1 1 44 44 ILE CA C 44 57.770 57.770 60.548 -2.778 18292 9649 1 16 . 1 1 44 44 ILE CB C 44 37.197 37.197 39.648 -2.451 18292 9650 1 16 . 1 1 44 44 ILE H H 44 8.587 8.587 8.786 -0.199 18292 9651 1 16 . 1 1 45 45 HIS N N 45 122.684 122.684 117.513 5.171 18292 9652 1 16 . 1 1 45 45 HIS HA H 45 4.426 4.426 4.769 -0.343 18292 9653 1 16 . 1 1 45 45 HIS C C 45 168.452 168.452 172.651 -4.199 18292 9654 1 16 . 1 1 45 45 HIS CA C 45 55.548 55.548 56.444 -0.895 18292 9655 1 16 . 1 1 45 45 HIS CB C 45 31.632 31.632 33.874 -2.242 18292 9656 1 16 . 1 1 45 45 HIS H H 45 7.791 7.791 7.732 0.059 18292 9657 1 16 . 1 1 46 46 ILE N N 46 123.917 123.917 123.586 0.331 18292 9658 1 16 . 1 1 46 46 ILE HA H 46 5.120 5.120 4.846 0.274 18292 9659 1 16 . 1 1 46 46 ILE C C 46 170.171 170.171 173.245 -3.074 18292 9660 1 16 . 1 1 46 46 ILE CA C 46 56.063 56.063 60.001 -3.938 18292 9661 1 16 . 1 1 46 46 ILE CB C 46 39.753 39.753 42.077 -2.324 18292 9662 1 16 . 1 1 46 46 ILE H H 46 7.391 7.391 7.981 -0.590 18292 9663 1 16 . 1 1 47 47 TYR N N 47 125.750 125.750 124.971 0.779 18292 9664 1 16 . 1 1 47 47 TYR HA H 47 4.370 4.370 4.893 -0.523 18292 9665 1 16 . 1 1 47 47 TYR C C 47 171.029 171.029 173.060 -2.031 18292 9666 1 16 . 1 1 47 47 TYR CA C 47 54.800 54.800 56.889 -2.089 18292 9667 1 16 . 1 1 47 47 TYR CB C 47 39.851 39.851 41.899 -2.048 18292 9668 1 16 . 1 1 47 47 TYR H H 47 9.055 9.055 8.909 0.146 18292 9669 1 16 . 1 1 48 48 VAL N N 48 129.720 129.720 127.991 1.729 18292 9670 1 16 . 1 1 48 48 VAL HA H 48 3.869 3.869 4.103 -0.234 18292 9671 1 16 . 1 1 48 48 VAL C C 48 170.949 170.949 174.064 -3.115 18292 9672 1 16 . 1 1 48 48 VAL CA C 48 59.328 59.328 61.236 -1.908 18292 9673 1 16 . 1 1 48 48 VAL CB C 48 29.022 29.022 33.088 -4.066 18292 9674 1 16 . 1 1 48 48 VAL H H 48 8.290 8.290 8.311 -0.021 18292 9675 1 16 . 1 1 49 49 ASP N N 49 125.287 125.287 129.284 -3.997 18292 9676 1 16 . 1 1 49 49 ASP HA H 49 4.703 4.703 4.675 0.028 18292 9677 1 16 . 1 1 49 49 ASP C C 49 173.851 173.851 176.383 -2.532 18292 9678 1 16 . 1 1 49 49 ASP CA C 49 50.349 50.349 51.862 -1.513 18292 9679 1 16 . 1 1 49 49 ASP CB C 49 38.139 38.139 41.754 -3.615 18292 9680 1 16 . 1 1 49 49 ASP H H 49 8.274 8.274 8.012 0.262 18292 9681 1 16 . 1 1 50 50 LYS N N 50 125.099 125.099 125.722 -0.623 18292 9682 1 16 . 1 1 50 50 LYS HA H 50 4.096 4.096 3.657 0.439 18292 9683 1 16 . 1 1 50 50 LYS C C 50 173.120 173.120 177.854 -4.734 18292 9684 1 16 . 1 1 50 50 LYS CA C 50 56.284 56.284 58.999 -2.715 18292 9685 1 16 . 1 1 50 50 LYS CB C 50 29.763 29.763 32.131 -2.368 18292 9686 1 16 . 1 1 50 50 LYS H H 50 8.090 8.090 8.535 -0.445 18292 9687 1 16 . 1 1 51 51 ASN N N 51 114.422 114.422 115.637 -1.215 18292 9688 1 16 . 1 1 51 51 ASN HA H 51 4.931 4.931 4.635 0.296 18292 9689 1 16 . 1 1 51 51 ASN C C 51 172.685 172.685 175.936 -3.251 18292 9690 1 16 . 1 1 51 51 ASN CA C 51 50.744 50.744 54.438 -3.694 18292 9691 1 16 . 1 1 51 51 ASN CB C 51 37.036 37.036 38.721 -1.685 18292 9692 1 16 . 1 1 51 51 ASN H H 51 8.272 8.272 7.996 0.276 18292 9693 1 16 . 1 1 52 52 SER N N 52 115.013 115.013 115.317 -0.304 18292 9694 1 16 . 1 1 52 52 SER HA H 52 4.410 4.410 4.499 -0.089 18292 9695 1 16 . 1 1 52 52 SER C C 52 172.628 172.628 175.659 -3.031 18292 9696 1 16 . 1 1 52 52 SER CA C 52 55.035 55.035 59.045 -4.010 18292 9697 1 16 . 1 1 52 52 SER CB C 52 61.604 61.604 64.190 -2.586 18292 9698 1 16 . 1 1 52 52 SER H H 52 7.920 7.920 7.870 0.050 18292 9699 1 16 . 1 1 53 53 ALA N N 53 129.163 129.163 131.338 -2.175 18292 9700 1 16 . 1 1 53 53 ALA HA H 53 4.088 4.088 4.295 -0.207 18292 9701 1 16 . 1 1 53 53 ALA C C 53 175.951 175.951 178.201 -2.250 18292 9702 1 16 . 1 1 53 53 ALA CA C 53 51.409 51.409 54.148 -2.739 18292 9703 1 16 . 1 1 53 53 ALA CB C 53 15.878 15.878 19.092 -3.214 18292 9704 1 16 . 1 1 53 53 ALA H H 53 8.837 8.837 8.971 -0.134 18292 9705 1 16 . 1 1 54 54 GLN N N 54 113.081 113.081 116.456 -3.375 18292 9706 1 16 . 1 1 54 54 GLN HA H 54 4.202 4.202 4.420 -0.218 18292 9707 1 16 . 1 1 54 54 GLN C C 54 173.388 173.388 175.221 -1.833 18292 9708 1 16 . 1 1 54 54 GLN CA C 54 52.993 52.993 54.364 -1.371 18292 9709 1 16 . 1 1 54 54 GLN CB C 54 26.360 26.360 29.241 -2.881 18292 9710 1 16 . 1 1 54 54 GLN H H 54 7.836 7.836 7.737 0.099 18292 9711 1 16 . 1 1 55 55 GLY N N 55 108.967 108.967 108.131 0.836 18292 9712 1 16 . 1 1 55 55 GLY CA C 55 45.087 45.087 44.973 0.114 18292 9713 1 16 . 1 1 55 55 GLY H H 55 7.191 7.191 7.980 -0.789 18292 9714 1 16 . 1 1 56 56 ASN N N 56 114.505 114.505 117.614 -3.109 18292 9715 1 16 . 1 1 56 56 ASN HA H 56 5.520 5.520 4.855 0.665 18292 9716 1 16 . 1 1 56 56 ASN C C 56 172.166 172.166 174.432 -2.266 18292 9717 1 16 . 1 1 56 56 ASN CA C 56 50.462 50.462 53.523 -3.061 18292 9718 1 16 . 1 1 56 56 ASN CB C 56 38.400 38.400 40.137 -1.737 18292 9719 1 16 . 1 1 56 56 ASN H H 56 7.614 7.614 7.960 -0.346 18292 9720 1 16 . 1 1 57 57 VAL N N 57 119.859 119.859 117.855 2.004 18292 9721 1 16 . 1 1 57 57 VAL HA H 57 4.692 4.692 4.390 0.302 18292 9722 1 16 . 1 1 57 57 VAL C C 57 170.667 170.667 173.893 -3.226 18292 9723 1 16 . 1 1 57 57 VAL CA C 57 58.163 58.163 60.855 -2.692 18292 9724 1 16 . 1 1 57 57 VAL CB C 57 33.663 33.663 36.259 -2.596 18292 9725 1 16 . 1 1 57 57 VAL H H 57 8.354 8.354 7.624 0.730 18292 9726 1 16 . 1 1 58 58 TYR N N 58 128.478 128.478 119.590 8.888 18292 9727 1 16 . 1 1 58 58 TYR HA H 58 4.937 4.937 5.287 -0.350 18292 9728 1 16 . 1 1 58 58 TYR C C 58 170.605 170.605 174.289 -3.684 18292 9729 1 16 . 1 1 58 58 TYR CA C 58 55.354 55.354 56.385 -1.031 18292 9730 1 16 . 1 1 58 58 TYR CB C 58 37.775 37.775 42.281 -4.506 18292 9731 1 16 . 1 1 58 58 TYR H H 58 9.275 9.275 8.990 0.285 18292 9732 1 16 . 1 1 59 59 VAL N N 59 123.117 123.117 118.579 4.538 18292 9733 1 16 . 1 1 59 59 VAL HA H 59 4.462 4.462 4.727 -0.265 18292 9734 1 16 . 1 1 59 59 VAL C C 59 170.875 170.875 173.221 -2.346 18292 9735 1 16 . 1 1 59 59 VAL CA C 59 58.527 58.527 59.240 -0.713 18292 9736 1 16 . 1 1 59 59 VAL CB C 59 32.611 32.611 35.025 -2.414 18292 9737 1 16 . 1 1 59 59 VAL H H 59 8.860 8.860 8.495 0.365 18292 9738 1 16 . 1 1 60 60 LYS N N 60 123.266 123.266 124.749 -1.483 18292 9739 1 16 . 1 1 60 60 LYS HA H 60 4.745 4.745 4.966 -0.221 18292 9740 1 16 . 1 1 60 60 LYS C C 60 173.399 173.399 175.458 -2.059 18292 9741 1 16 . 1 1 60 60 LYS CA C 60 52.207 52.207 54.761 -2.554 18292 9742 1 16 . 1 1 60 60 LYS CB C 60 34.244 34.244 35.889 -1.645 18292 9743 1 16 . 1 1 60 60 LYS H H 60 8.668 8.668 8.382 0.286 18292 9744 1 16 . 1 1 61 61 CYS N N 61 125.267 125.267 125.332 -0.065 18292 9745 1 16 . 1 1 61 61 CYS HA H 61 4.740 4.740 4.997 -0.257 18292 9746 1 16 . 1 1 61 61 CYS CA C 61 56.393 56.393 55.622 0.771 18292 9747 1 16 . 1 1 61 61 CYS CB C 61 27.416 27.416 28.438 -1.022 18292 9748 1 16 . 1 1 61 61 CYS H H 61 9.207 9.207 8.990 0.217 18292 9749 1 16 . 1 1 62 62 PRO HA H 62 4.266 4.266 4.415 -0.149 18292 9750 1 16 . 1 1 62 62 PRO C C 62 171.443 171.443 175.778 -4.335 18292 9751 1 16 . 1 1 62 62 PRO CA C 62 61.167 61.167 64.067 -2.900 18292 9752 1 16 . 1 1 62 62 PRO CB C 62 29.450 29.450 32.591 -3.141 18292 9753 1 16 . 1 1 63 63 SER N N 63 108.558 108.558 112.900 -4.342 18292 9754 1 16 . 1 1 63 63 SER HA H 63 4.606 4.606 4.730 -0.124 18292 9755 1 16 . 1 1 63 63 SER C C 63 171.147 171.147 174.529 -3.382 18292 9756 1 16 . 1 1 63 63 SER CA C 63 53.259 53.259 56.914 -3.655 18292 9757 1 16 . 1 1 63 63 SER CB C 63 63.378 63.378 65.976 -2.598 18292 9758 1 16 . 1 1 63 63 SER H H 63 6.990 6.990 7.640 -0.650 18292 9759 1 16 . 1 1 64 64 ILE N N 64 122.885 122.885 125.933 -3.048 18292 9760 1 16 . 1 1 64 64 ILE HA H 64 3.462 3.462 3.670 -0.208 18292 9761 1 16 . 1 1 64 64 ILE C C 64 174.204 174.204 177.849 -3.645 18292 9762 1 16 . 1 1 64 64 ILE CA C 64 62.955 62.955 65.381 -2.426 18292 9763 1 16 . 1 1 64 64 ILE CB C 64 35.297 35.297 38.006 -2.709 18292 9764 1 16 . 1 1 64 64 ILE H H 64 8.786 8.786 8.938 -0.152 18292 9765 1 16 . 1 1 65 65 ALA N N 65 120.653 120.653 123.677 -3.024 18292 9766 1 16 . 1 1 65 65 ALA HA H 65 3.890 3.890 3.898 -0.008 18292 9767 1 16 . 1 1 65 65 ALA C C 65 177.926 177.926 179.008 -1.082 18292 9768 1 16 . 1 1 65 65 ALA CA C 65 52.772 52.772 55.268 -2.496 18292 9769 1 16 . 1 1 65 65 ALA CB C 65 15.552 15.552 17.788 -2.236 18292 9770 1 16 . 1 1 65 65 ALA H H 65 8.287 8.287 8.357 -0.070 18292 9771 1 16 . 1 1 66 66 ALA N N 66 119.802 119.802 119.371 0.431 18292 9772 1 16 . 1 1 66 66 ALA HA H 66 4.344 4.344 4.004 0.340 18292 9773 1 16 . 1 1 66 66 ALA C C 66 176.063 176.063 179.036 -2.973 18292 9774 1 16 . 1 1 66 66 ALA CA C 66 52.108 52.108 54.499 -2.391 18292 9775 1 16 . 1 1 66 66 ALA CB C 66 16.106 16.106 18.546 -2.440 18292 9776 1 16 . 1 1 66 66 ALA H H 66 7.952 7.952 8.128 -0.176 18292 9777 1 16 . 1 1 67 67 ALA N N 67 121.626 121.626 122.474 -0.848 18292 9778 1 16 . 1 1 67 67 ALA HA H 67 4.398 4.398 4.011 0.387 18292 9779 1 16 . 1 1 67 67 ALA C C 67 175.824 175.824 179.017 -3.193 18292 9780 1 16 . 1 1 67 67 ALA CA C 67 53.135 53.135 54.586 -1.451 18292 9781 1 16 . 1 1 67 67 ALA CB C 67 17.020 17.020 18.536 -1.516 18292 9782 1 16 . 1 1 67 67 ALA H H 67 7.332 7.332 7.361 -0.029 18292 9783 1 16 . 1 1 68 68 ILE N N 68 117.793 117.793 120.687 -2.894 18292 9784 1 16 . 1 1 68 68 ILE HA H 68 4.185 4.185 3.746 0.439 18292 9785 1 16 . 1 1 68 68 ILE C C 68 176.163 176.163 178.324 -2.161 18292 9786 1 16 . 1 1 68 68 ILE CA C 68 61.323 61.323 65.422 -4.099 18292 9787 1 16 . 1 1 68 68 ILE CB C 68 36.657 36.657 37.899 -1.242 18292 9788 1 16 . 1 1 68 68 ILE H H 68 8.655 8.655 8.510 0.145 18292 9789 1 16 . 1 1 69 69 ALA N N 69 119.051 119.051 120.283 -1.232 18292 9790 1 16 . 1 1 69 69 ALA HA H 69 3.836 3.836 3.838 -0.002 18292 9791 1 16 . 1 1 69 69 ALA C C 69 177.325 177.325 179.024 -1.699 18292 9792 1 16 . 1 1 69 69 ALA CA C 69 51.781 51.781 55.014 -3.233 18292 9793 1 16 . 1 1 69 69 ALA CB C 69 15.767 15.767 17.842 -2.075 18292 9794 1 16 . 1 1 69 69 ALA H H 69 7.377 7.377 7.920 -0.543 18292 9795 1 16 . 1 1 70 70 ALA N N 70 121.378 121.378 122.102 -0.724 18292 9796 1 16 . 1 1 70 70 ALA HA H 70 3.544 3.544 3.928 -0.384 18292 9797 1 16 . 1 1 70 70 ALA C C 70 176.012 176.012 179.150 -3.138 18292 9798 1 16 . 1 1 70 70 ALA CA C 70 52.966 52.966 54.494 -1.528 18292 9799 1 16 . 1 1 70 70 ALA CB C 70 16.740 16.740 18.326 -1.586 18292 9800 1 16 . 1 1 70 70 ALA H H 70 7.798 7.798 7.277 0.521 18292 9801 1 16 . 1 1 71 71 VAL N N 71 119.944 119.944 118.198 1.746 18292 9802 1 16 . 1 1 71 71 VAL HA H 71 2.524 2.524 3.159 -0.635 18292 9803 1 16 . 1 1 71 71 VAL C C 71 175.408 175.408 177.932 -2.524 18292 9804 1 16 . 1 1 71 71 VAL CA C 71 64.993 64.993 66.454 -1.461 18292 9805 1 16 . 1 1 71 71 VAL CB C 71 28.184 28.184 30.345 -2.161 18292 9806 1 16 . 1 1 71 71 VAL H H 71 8.662 8.662 8.153 0.509 18292 9807 1 16 . 1 1 72 72 ASN N N 72 114.981 114.981 117.739 -2.758 18292 9808 1 16 . 1 1 72 72 ASN HA H 72 4.244 4.244 4.266 -0.022 18292 9809 1 16 . 1 1 72 72 ASN C C 72 174.490 174.490 176.344 -1.854 18292 9810 1 16 . 1 1 72 72 ASN CA C 72 52.776 52.776 56.269 -3.493 18292 9811 1 16 . 1 1 72 72 ASN CB C 72 35.394 35.394 38.404 -3.010 18292 9812 1 16 . 1 1 72 72 ASN H H 72 8.061 8.061 8.115 -0.054 18292 9813 1 16 . 1 1 73 73 ALA N N 73 120.308 120.308 121.716 -1.408 18292 9814 1 16 . 1 1 73 73 ALA HA H 73 4.162 4.162 4.044 0.118 18292 9815 1 16 . 1 1 73 73 ALA C C 73 176.245 176.245 178.655 -2.410 18292 9816 1 16 . 1 1 73 73 ALA CA C 73 51.058 51.058 54.194 -3.136 18292 9817 1 16 . 1 1 73 73 ALA CB C 73 17.457 17.457 19.165 -1.708 18292 9818 1 16 . 1 1 73 73 ALA H H 73 7.230 7.230 7.431 -0.201 18292 9819 1 16 . 1 1 74 74 LEU N N 74 118.156 118.156 115.872 2.284 18292 9820 1 16 . 1 1 74 74 LEU HA H 74 4.021 4.021 4.036 -0.015 18292 9821 1 16 . 1 1 74 74 LEU C C 74 173.863 173.863 177.996 -4.133 18292 9822 1 16 . 1 1 74 74 LEU CA C 74 53.853 53.853 57.044 -3.191 18292 9823 1 16 . 1 1 74 74 LEU CB C 74 41.552 41.552 42.478 -0.926 18292 9824 1 16 . 1 1 74 74 LEU H H 74 7.856 7.856 7.792 0.064 18292 9825 1 16 . 1 1 75 75 HIS N N 75 117.126 117.126 118.275 -1.149 18292 9826 1 16 . 1 1 75 75 HIS HA H 75 3.830 3.830 4.129 -0.299 18292 9827 1 16 . 1 1 75 75 HIS C C 75 174.851 174.851 175.922 -1.071 18292 9828 1 16 . 1 1 75 75 HIS CA C 75 56.621 56.621 58.364 -1.743 18292 9829 1 16 . 1 1 75 75 HIS CB C 75 28.299 28.299 29.479 -1.180 18292 9830 1 16 . 1 1 75 75 HIS H H 75 8.434 8.434 8.075 0.359 18292 9831 1 16 . 1 1 76 76 GLY N N 76 116.761 116.761 115.711 1.050 18292 9832 1 16 . 1 1 76 76 GLY CA C 76 42.221 42.221 44.582 -2.361 18292 9833 1 16 . 1 1 76 76 GLY H H 76 8.418 8.418 8.549 -0.131 18292 9834 1 16 . 1 1 77 77 ARG N N 77 120.430 120.430 121.046 -0.616 18292 9835 1 16 . 1 1 77 77 ARG HA H 77 4.248 4.248 4.301 -0.053 18292 9836 1 16 . 1 1 77 77 ARG C C 77 173.536 173.536 175.444 -1.908 18292 9837 1 16 . 1 1 77 77 ARG CA C 77 53.029 53.029 57.000 -3.971 18292 9838 1 16 . 1 1 77 77 ARG CB C 77 29.058 29.058 31.289 -2.231 18292 9839 1 16 . 1 1 77 77 ARG H H 77 7.385 7.385 7.781 -0.396 18292 9840 1 16 . 1 1 78 78 TRP N N 78 122.989 122.989 125.302 -2.313 18292 9841 1 16 . 1 1 78 78 TRP HA H 78 4.941 4.941 5.128 -0.187 18292 9842 1 16 . 1 1 78 78 TRP C C 78 173.888 173.888 176.543 -2.655 18292 9843 1 16 . 1 1 78 78 TRP CA C 78 54.234 54.234 57.551 -3.317 18292 9844 1 16 . 1 1 78 78 TRP CB C 78 26.923 26.923 30.361 -3.438 18292 9845 1 16 . 1 1 78 78 TRP H H 78 8.463 8.463 8.656 -0.193 18292 9846 1 16 . 1 1 79 79 PHE N N 79 126.899 126.899 121.629 5.270 18292 9847 1 16 . 1 1 79 79 PHE HA H 79 4.637 4.637 4.761 -0.124 18292 9848 1 16 . 1 1 79 79 PHE C C 79 171.696 171.696 176.369 -4.673 18292 9849 1 16 . 1 1 79 79 PHE CA C 79 54.624 54.624 55.954 -1.330 18292 9850 1 16 . 1 1 79 79 PHE CB C 79 39.577 39.577 41.558 -1.981 18292 9851 1 16 . 1 1 79 79 PHE H H 79 9.500 9.500 9.244 0.256 18292 9852 1 16 . 1 1 80 80 ALA N N 80 130.285 130.285 124.017 6.268 18292 9853 1 16 . 1 1 80 80 ALA HA H 80 3.705 3.705 4.205 -0.500 18292 9854 1 16 . 1 1 80 80 ALA C C 80 174.560 174.560 177.960 -3.400 18292 9855 1 16 . 1 1 80 80 ALA CA C 80 49.993 49.993 53.808 -3.815 18292 9856 1 16 . 1 1 80 80 ALA CB C 80 14.479 14.479 18.097 -3.618 18292 9857 1 16 . 1 1 80 80 ALA H H 80 8.840 8.840 8.510 0.330 18292 9858 1 16 . 1 1 81 81 GLY N N 81 102.771 102.771 104.871 -2.100 18292 9859 1 16 . 1 1 81 81 GLY C C 81 171.087 171.087 173.334 -2.247 18292 9860 1 16 . 1 1 81 81 GLY CA C 81 42.891 42.891 45.170 -2.279 18292 9861 1 16 . 1 1 81 81 GLY H H 81 8.268 8.268 7.823 0.445 18292 9862 1 16 . 1 1 82 82 LYS N N 82 120.307 120.307 117.909 2.398 18292 9863 1 16 . 1 1 82 82 LYS HA H 82 4.469 4.469 4.644 -0.175 18292 9864 1 16 . 1 1 82 82 LYS C C 82 170.688 170.688 173.578 -2.890 18292 9865 1 16 . 1 1 82 82 LYS CA C 82 52.029 52.029 55.103 -3.074 18292 9866 1 16 . 1 1 82 82 LYS CB C 82 32.776 32.776 34.064 -1.288 18292 9867 1 16 . 1 1 82 82 LYS H H 82 7.791 7.791 7.917 -0.126 18292 9868 1 16 . 1 1 83 83 MET N N 83 121.212 121.212 120.757 0.455 18292 9869 1 16 . 1 1 83 83 MET HA H 83 3.871 3.871 4.371 -0.500 18292 9870 1 16 . 1 1 83 83 MET C C 83 173.474 173.474 175.024 -1.550 18292 9871 1 16 . 1 1 83 83 MET CA C 83 51.968 51.968 53.985 -2.017 18292 9872 1 16 . 1 1 83 83 MET CB C 83 30.275 30.275 33.131 -2.856 18292 9873 1 16 . 1 1 83 83 MET H H 83 7.953 7.953 8.370 -0.417 18292 9874 1 16 . 1 1 84 84 ILE N N 84 128.512 128.512 125.818 2.694 18292 9875 1 16 . 1 1 84 84 ILE HA H 84 4.230 4.230 3.977 0.253 18292 9876 1 16 . 1 1 84 84 ILE C C 84 173.459 173.459 175.612 -2.153 18292 9877 1 16 . 1 1 84 84 ILE CA C 84 58.832 58.832 59.943 -1.111 18292 9878 1 16 . 1 1 84 84 ILE CB C 84 36.088 36.088 37.796 -1.708 18292 9879 1 16 . 1 1 84 84 ILE H H 84 8.683 8.683 8.775 -0.092 18292 9880 1 16 . 1 1 85 85 THR N N 85 115.456 115.456 114.141 1.315 18292 9881 1 16 . 1 1 85 85 THR HA H 85 4.825 4.825 4.026 0.799 18292 9882 1 16 . 1 1 85 85 THR CA C 85 56.520 56.520 59.461 -2.941 18292 9883 1 16 . 1 1 85 85 THR CB C 85 68.803 68.803 71.569 -2.766 18292 9884 1 16 . 1 1 85 85 THR H H 85 7.318 7.318 7.879 -0.561 18292 9885 1 16 . 1 1 86 86 ALA N N 86 128.004 128.004 123.251 4.753 18292 9886 1 16 . 1 1 86 86 ALA HA H 86 5.542 5.542 5.154 0.388 18292 9887 1 16 . 1 1 86 86 ALA C C 86 173.070 173.070 175.360 -2.290 18292 9888 1 16 . 1 1 86 86 ALA CA C 86 47.491 47.491 51.311 -3.820 18292 9889 1 16 . 1 1 86 86 ALA CB C 86 22.241 22.241 21.825 0.416 18292 9890 1 16 . 1 1 86 86 ALA H H 86 10.712 10.712 8.098 2.614 18292 9891 1 16 . 1 1 87 87 ALA N N 87 122.902 122.902 126.363 -3.461 18292 9892 1 16 . 1 1 87 87 ALA HA H 87 4.499 4.499 5.059 -0.560 18292 9893 1 16 . 1 1 87 87 ALA C C 87 173.781 173.781 175.713 -1.932 18292 9894 1 16 . 1 1 87 87 ALA CA C 87 47.989 47.989 50.559 -2.570 18292 9895 1 16 . 1 1 87 87 ALA CB C 87 19.981 19.981 21.552 -1.571 18292 9896 1 16 . 1 1 87 87 ALA H H 87 8.413 8.413 8.799 -0.386 18292 9897 1 16 . 1 1 88 88 TYR N N 88 120.267 120.267 120.609 -0.342 18292 9898 1 16 . 1 1 88 88 TYR HA H 88 4.723 4.723 4.863 -0.140 18292 9899 1 16 . 1 1 88 88 TYR C C 88 173.615 173.615 176.806 -3.191 18292 9900 1 16 . 1 1 88 88 TYR CA C 88 57.556 57.556 58.179 -0.623 18292 9901 1 16 . 1 1 88 88 TYR CB C 88 36.474 36.474 39.577 -3.103 18292 9902 1 16 . 1 1 88 88 TYR H H 88 8.311 8.311 8.606 -0.295 18292 9903 1 16 . 1 1 89 89 VAL N N 89 123.298 123.298 117.539 5.759 18292 9904 1 16 . 1 1 89 89 VAL HA H 89 4.696 4.696 4.838 -0.142 18292 9905 1 16 . 1 1 89 89 VAL CA C 89 55.899 55.899 58.471 -2.572 18292 9906 1 16 . 1 1 89 89 VAL CB C 89 33.445 33.445 33.125 0.320 18292 9907 1 16 . 1 1 89 89 VAL H H 89 8.420 8.420 8.983 -0.563 18292 9908 1 16 . 1 1 90 90 PRO HA H 90 4.450 4.450 4.731 -0.281 18292 9909 1 16 . 1 1 90 90 PRO CA C 90 60.310 60.310 62.761 -2.451 18292 9910 1 16 . 1 1 90 90 PRO CB C 90 30.489 30.489 31.423 -0.934 18292 9911 1 16 . 1 1 91 91 LEU N N 91 126.649 126.649 126.014 0.635 18292 9912 1 16 . 1 1 91 91 LEU HA H 91 3.975 3.975 4.222 -0.247 18292 9913 1 16 . 1 1 91 91 LEU CA C 91 56.691 56.691 59.902 -3.211 18292 9914 1 16 . 1 1 91 91 LEU CB C 91 37.139 37.139 39.240 -2.101 18292 9915 1 16 . 1 1 91 91 LEU H H 91 8.997 8.997 8.611 0.386 18292 9916 1 16 . 1 1 92 92 PRO HA H 92 4.211 4.211 4.042 0.169 18292 9917 1 16 . 1 1 92 92 PRO C C 92 177.175 177.175 177.790 -0.615 18292 9918 1 16 . 1 1 92 92 PRO CA C 92 63.104 63.104 64.700 -1.595 18292 9919 1 16 . 1 1 92 92 PRO CB C 92 27.973 27.973 31.281 -3.308 18292 9920 1 16 . 1 1 93 93 THR N N 93 112.839 112.839 114.507 -1.668 18292 9921 1 16 . 1 1 93 93 THR HA H 93 3.827 3.827 4.387 -0.560 18292 9922 1 16 . 1 1 93 93 THR C C 93 172.669 172.669 175.695 -3.026 18292 9923 1 16 . 1 1 93 93 THR CA C 93 63.096 63.096 65.871 -2.775 18292 9924 1 16 . 1 1 93 93 THR CB C 93 65.968 65.968 70.138 -4.170 18292 9925 1 16 . 1 1 93 93 THR H H 93 6.528 6.528 7.916 -1.388 18292 9926 1 16 . 1 1 94 94 TYR N N 94 125.195 125.195 124.136 1.059 18292 9927 1 16 . 1 1 94 94 TYR HA H 94 3.515 3.515 4.177 -0.662 18292 9928 1 16 . 1 1 94 94 TYR C C 94 174.953 174.953 177.578 -2.625 18292 9929 1 16 . 1 1 94 94 TYR CA C 94 60.012 60.012 62.529 -2.517 18292 9930 1 16 . 1 1 94 94 TYR CB C 94 37.588 37.588 38.891 -1.303 18292 9931 1 16 . 1 1 94 94 TYR H H 94 8.263 8.263 8.695 -0.432 18292 9932 1 16 . 1 1 95 95 HIS N N 95 114.994 114.994 117.105 -2.111 18292 9933 1 16 . 1 1 95 95 HIS HA H 95 4.187 4.187 4.309 -0.122 18292 9934 1 16 . 1 1 95 95 HIS C C 95 173.780 173.780 176.971 -3.191 18292 9935 1 16 . 1 1 95 95 HIS CA C 95 53.471 53.471 58.388 -4.917 18292 9936 1 16 . 1 1 95 95 HIS CB C 95 26.528 26.528 29.380 -2.852 18292 9937 1 16 . 1 1 95 95 HIS H H 95 8.529 8.529 9.131 -0.602 18292 9938 1 16 . 1 1 96 96 ASN N N 96 116.599 116.599 117.098 -0.499 18292 9939 1 16 . 1 1 96 96 ASN HA H 96 4.315 4.315 4.226 0.089 18292 9940 1 16 . 1 1 96 96 ASN C C 96 175.849 175.849 177.093 -1.244 18292 9941 1 16 . 1 1 96 96 ASN CA C 96 52.814 52.814 55.482 -2.668 18292 9942 1 16 . 1 1 96 96 ASN CB C 96 36.453 36.453 38.486 -2.033 18292 9943 1 16 . 1 1 96 96 ASN H H 96 7.343 7.343 7.737 -0.394 18292 9944 1 16 . 1 1 97 97 LEU N N 97 119.316 119.316 118.767 0.549 18292 9945 1 16 . 1 1 97 97 LEU HA H 97 3.406 3.406 3.867 -0.461 18292 9946 1 16 . 1 1 97 97 LEU CA C 97 54.399 54.399 57.106 -2.707 18292 9947 1 16 . 1 1 97 97 LEU CB C 97 39.614 39.614 42.385 -2.771 18292 9948 1 16 . 1 1 97 97 LEU H H 97 7.299 7.299 7.462 -0.163 18292 9949 1 16 . 1 1 98 98 PHE N N 98 113.688 113.688 115.674 -1.986 18292 9950 1 16 . 1 1 98 98 PHE HA H 98 4.696 4.696 4.807 -0.111 18292 9951 1 16 . 1 1 98 98 PHE CA C 98 54.399 54.399 54.789 -0.390 18292 9952 1 16 . 1 1 98 98 PHE CB C 98 35.380 35.380 38.866 -3.486 18292 9953 1 16 . 1 1 98 98 PHE H H 98 7.795 7.795 7.816 -0.021 18292 9954 1 16 . 1 1 99 99 PRO HA H 99 4.430 4.430 4.590 -0.160 18292 9955 1 16 . 1 1 99 99 PRO C C 99 176.469 176.469 176.602 -0.133 18292 9956 1 16 . 1 1 99 99 PRO CA C 99 63.174 63.174 64.481 -1.307 18292 9957 1 16 . 1 1 99 99 PRO CB C 99 28.822 28.822 31.674 -2.852 18292 9958 1 16 . 1 1 100 100 ASP N N 100 115.482 115.482 117.849 -2.367 18292 9959 1 16 . 1 1 100 100 ASP HA H 100 4.306 4.306 4.682 -0.376 18292 9960 1 16 . 1 1 100 100 ASP C C 100 174.886 174.886 177.722 -2.836 18292 9961 1 16 . 1 1 100 100 ASP CA C 100 53.064 53.064 56.547 -3.483 18292 9962 1 16 . 1 1 100 100 ASP CB C 100 36.736 36.736 40.710 -3.974 18292 9963 1 16 . 1 1 100 100 ASP H H 100 8.897 8.897 8.113 0.784 18292 9964 1 16 . 1 1 101 101 SER N N 101 114.743 114.743 116.374 -1.631 18292 9965 1 16 . 1 1 101 101 SER HA H 101 3.876 3.876 4.138 -0.262 18292 9966 1 16 . 1 1 101 101 SER C C 101 173.539 173.539 176.376 -2.837 18292 9967 1 16 . 1 1 101 101 SER CA C 101 58.183 58.183 61.311 -3.128 18292 9968 1 16 . 1 1 101 101 SER CB C 101 61.403 61.403 62.645 -1.242 18292 9969 1 16 . 1 1 101 101 SER H H 101 8.057 8.057 7.702 0.355 18292 9970 1 16 . 1 1 102 102 MET N N 102 122.103 122.103 118.471 3.632 18292 9971 1 16 . 1 1 102 102 MET HA H 102 3.340 3.340 4.303 -0.963 18292 9972 1 16 . 1 1 102 102 MET C C 102 174.488 174.488 177.033 -2.545 18292 9973 1 16 . 1 1 102 102 MET CA C 102 56.606 56.606 58.071 -1.465 18292 9974 1 16 . 1 1 102 102 MET CB C 102 31.312 31.312 32.289 -0.977 18292 9975 1 16 . 1 1 102 102 MET H H 102 7.319 7.319 7.937 -0.618 18292 9976 1 16 . 1 1 103 103 THR N N 103 104.780 104.780 113.255 -8.475 18292 9977 1 16 . 1 1 103 103 THR HA H 103 4.318 4.318 4.477 -0.159 18292 9978 1 16 . 1 1 103 103 THR C C 103 171.121 171.121 172.762 -1.641 18292 9979 1 16 . 1 1 103 103 THR CA C 103 57.203 57.203 61.236 -4.033 18292 9980 1 16 . 1 1 103 103 THR CB C 103 65.753 65.753 68.659 -2.906 18292 9981 1 16 . 1 1 103 103 THR H H 103 7.216 7.216 7.605 -0.389 18292 9982 1 16 . 1 1 104 104 ALA N N 104 125.795 125.795 125.235 0.560 18292 9983 1 16 . 1 1 104 104 ALA HA H 104 4.347 4.347 4.402 -0.055 18292 9984 1 16 . 1 1 104 104 ALA C C 104 174.370 174.370 177.195 -2.825 18292 9985 1 16 . 1 1 104 104 ALA CA C 104 50.244 50.244 52.942 -2.698 18292 9986 1 16 . 1 1 104 104 ALA CB C 104 16.077 16.077 18.482 -2.405 18292 9987 1 16 . 1 1 104 104 ALA H H 104 6.605 6.605 7.395 -0.790 18292 9988 1 16 . 1 1 105 105 THR N N 105 111.482 111.482 113.828 -2.346 18292 9989 1 16 . 1 1 105 105 THR HA H 105 4.390 4.390 4.479 -0.089 18292 9990 1 16 . 1 1 105 105 THR C C 105 171.563 171.563 174.131 -2.568 18292 9991 1 16 . 1 1 105 105 THR CA C 105 58.977 58.977 60.932 -1.955 18292 9992 1 16 . 1 1 105 105 THR CB C 105 68.537 68.537 68.666 -0.129 18292 9993 1 16 . 1 1 105 105 THR H H 105 8.698 8.698 7.922 0.776 18292 9994 1 16 . 1 1 106 106 GLN N N 106 123.003 123.003 119.327 3.676 18292 9995 1 16 . 1 1 106 106 GLN HA H 106 4.294 4.294 4.541 -0.247 18292 9996 1 16 . 1 1 106 106 GLN C C 106 172.973 172.973 174.576 -1.603 18292 9997 1 16 . 1 1 106 106 GLN CA C 106 52.710 52.710 53.963 -1.253 18292 9998 1 16 . 1 1 106 106 GLN CB C 106 27.282 27.282 29.665 -2.383 18292 9999 1 16 . 1 1 106 106 GLN H H 106 7.944 7.944 7.860 0.084 18292 10000 1 16 . 1 1 107 107 LEU N N 107 124.765 124.765 125.717 -0.952 18292 10001 1 16 . 1 1 107 107 LEU HA H 107 4.328 4.328 4.362 -0.034 18292 10002 1 16 . 1 1 107 107 LEU C C 107 174.110 174.110 177.349 -3.239 18292 10003 1 16 . 1 1 107 107 LEU CA C 107 52.798 52.798 55.480 -2.682 18292 10004 1 16 . 1 1 107 107 LEU CB C 107 37.829 37.829 42.040 -4.211 18292 10005 1 16 . 1 1 107 107 LEU H H 107 8.390 8.390 8.598 -0.208 18292 10006 1 16 . 1 1 108 108 LEU N N 108 122.332 122.332 127.023 -4.691 18292 10007 1 16 . 1 1 108 108 LEU HA H 108 4.259 4.259 4.264 -0.005 18292 10008 1 16 . 1 1 108 108 LEU C C 108 173.870 173.870 176.407 -2.537 18292 10009 1 16 . 1 1 108 108 LEU CA C 108 52.092 52.092 55.440 -3.348 18292 10010 1 16 . 1 1 108 108 LEU CB C 108 39.253 39.253 42.764 -3.511 18292 10011 1 16 . 1 1 108 108 LEU H H 108 8.480 8.480 8.385 0.095 18292 10012 1 16 . 1 1 109 109 VAL N N 109 115.421 115.421 114.502 0.919 18292 10013 1 16 . 1 1 109 109 VAL HA H 109 4.444 4.444 4.503 -0.059 18292 10014 1 16 . 1 1 109 109 VAL CA C 109 55.640 55.640 58.791 -3.151 18292 10015 1 16 . 1 1 109 109 VAL CB C 109 31.153 31.153 32.214 -1.060 18292 10016 1 16 . 1 1 109 109 VAL H H 109 8.007 8.007 8.030 -0.023 18292 10017 1 16 . 1 1 110 110 PRO HA H 110 4.361 4.361 4.674 -0.313 18292 10018 1 16 . 1 1 110 110 PRO C C 110 173.778 173.778 176.210 -2.432 18292 10019 1 16 . 1 1 110 110 PRO CA C 110 59.737 59.737 62.396 -2.659 18292 10020 1 16 . 1 1 110 110 PRO CB C 110 29.710 29.710 32.822 -3.112 18292 10021 1 16 . 1 1 111 111 SER N N 111 120.434 120.434 114.675 5.759 18292 10022 1 16 . 1 1 111 111 SER HA H 111 4.139 4.139 4.664 -0.525 18292 10023 1 16 . 1 1 111 111 SER C C 111 172.475 172.475 173.764 -1.289 18292 10024 1 16 . 1 1 111 111 SER CA C 111 57.674 57.674 59.217 -1.543 18292 10025 1 16 . 1 1 111 111 SER CB C 111 60.580 60.580 65.408 -4.828 18292 10026 1 16 . 1 1 111 111 SER H H 111 9.945 9.945 9.456 0.489 18292 10027 1 16 . 1 1 112 112 ARG N N 112 121.013 121.013 121.191 -0.178 18292 10028 1 16 . 1 1 112 112 ARG HA H 112 4.253 4.253 4.533 -0.280 18292 10029 1 16 . 1 1 112 112 ARG C C 112 172.216 172.216 173.664 -1.448 18292 10030 1 16 . 1 1 112 112 ARG CA C 112 53.071 53.071 55.761 -2.689 18292 10031 1 16 . 1 1 112 112 ARG CB C 112 27.963 27.963 32.076 -4.113 18292 10032 1 16 . 1 1 112 112 ARG H H 112 7.861 7.861 8.721 -0.860 18292 10033 1 17 . 1 1 2 2 GLN N N 2 125.719 125.719 120.845 4.874 18292 10034 1 17 . 1 1 2 2 GLN HA H 2 4.571 4.571 4.740 -0.169 18292 10035 1 17 . 1 1 2 2 GLN CA C 2 50.502 50.502 54.159 -3.657 18292 10036 1 17 . 1 1 2 2 GLN CB C 2 26.254 26.254 31.441 -5.187 18292 10037 1 17 . 1 1 2 2 GLN H H 2 8.471 8.471 8.179 0.292 18292 10038 1 17 . 1 1 3 3 PRO HA H 3 4.311 4.311 4.424 -0.113 18292 10039 1 17 . 1 1 3 3 PRO C C 3 173.634 173.634 175.783 -2.149 18292 10040 1 17 . 1 1 3 3 PRO CA C 3 60.349 60.349 63.217 -2.868 18292 10041 1 17 . 1 1 3 3 PRO CB C 3 29.678 29.678 30.891 -1.213 18292 10042 1 17 . 1 1 4 4 LEU N N 4 122.253 122.253 125.676 -3.423 18292 10043 1 17 . 1 1 4 4 LEU HA H 4 4.133 4.133 4.509 -0.376 18292 10044 1 17 . 1 1 4 4 LEU C C 4 172.946 172.946 175.806 -2.860 18292 10045 1 17 . 1 1 4 4 LEU CA C 4 51.900 51.900 54.525 -2.625 18292 10046 1 17 . 1 1 4 4 LEU CB C 4 39.711 39.711 41.732 -2.021 18292 10047 1 17 . 1 1 4 4 LEU H H 4 7.912 7.912 7.755 0.157 18292 10048 1 17 . 1 1 5 5 ALA N N 5 122.619 122.619 126.766 -4.147 18292 10049 1 17 . 1 1 5 5 ALA HA H 5 2.385 2.385 4.028 -1.643 18292 10050 1 17 . 1 1 5 5 ALA C C 5 174.164 174.164 176.821 -2.657 18292 10051 1 17 . 1 1 5 5 ALA CA C 5 49.205 49.205 51.719 -2.514 18292 10052 1 17 . 1 1 5 5 ALA CB C 5 17.058 17.058 17.915 -0.857 18292 10053 1 17 . 1 1 5 5 ALA H H 5 7.415 7.415 8.429 -1.014 18292 10054 1 17 . 1 1 6 6 THR N N 6 112.768 112.768 113.527 -0.759 18292 10055 1 17 . 1 1 6 6 THR HA H 6 4.393 4.393 4.461 -0.068 18292 10056 1 17 . 1 1 6 6 THR C C 6 168.908 168.908 176.020 -7.112 18292 10057 1 17 . 1 1 6 6 THR CA C 6 56.371 56.371 60.451 -4.080 18292 10058 1 17 . 1 1 6 6 THR CB C 6 68.874 68.874 70.661 -1.787 18292 10059 1 17 . 1 1 6 6 THR H H 6 6.601 6.601 7.813 -1.212 18292 10060 1 17 . 1 1 7 7 GLN N N 7 111.707 111.707 119.798 -8.091 18292 10061 1 17 . 1 1 7 7 GLN HA H 7 4.344 4.344 4.290 0.054 18292 10062 1 17 . 1 1 7 7 GLN C C 7 171.068 171.068 174.876 -3.808 18292 10063 1 17 . 1 1 7 7 GLN CA C 7 53.795 53.795 56.563 -2.768 18292 10064 1 17 . 1 1 7 7 GLN CB C 7 28.252 28.252 26.686 1.566 18292 10065 1 17 . 1 1 7 7 GLN H H 7 8.547 8.547 8.880 -0.333 18292 10066 1 17 . 1 1 8 8 CYS N N 8 118.669 118.669 116.757 1.912 18292 10067 1 17 . 1 1 8 8 CYS HA H 8 5.389 5.389 5.076 0.313 18292 10068 1 17 . 1 1 8 8 CYS C C 8 171.026 171.026 173.186 -2.160 18292 10069 1 17 . 1 1 8 8 CYS CA C 8 53.652 53.652 57.144 -3.492 18292 10070 1 17 . 1 1 8 8 CYS CB C 8 29.416 29.416 31.563 -2.147 18292 10071 1 17 . 1 1 8 8 CYS H H 8 8.558 8.558 7.704 0.854 18292 10072 1 17 . 1 1 9 9 PHE N N 9 117.117 117.117 118.569 -1.452 18292 10073 1 17 . 1 1 9 9 PHE HA H 9 5.369 5.369 5.192 0.177 18292 10074 1 17 . 1 1 9 9 PHE C C 9 168.313 168.313 172.362 -4.049 18292 10075 1 17 . 1 1 9 9 PHE CA C 9 53.341 53.341 56.034 -2.693 18292 10076 1 17 . 1 1 9 9 PHE CB C 9 39.008 39.008 41.572 -2.564 18292 10077 1 17 . 1 1 9 9 PHE H H 9 9.533 9.533 8.732 0.801 18292 10078 1 17 . 1 1 10 10 GLN N N 10 118.344 118.344 116.235 2.109 18292 10079 1 17 . 1 1 10 10 GLN HA H 10 5.063 5.063 5.054 0.009 18292 10080 1 17 . 1 1 10 10 GLN C C 10 173.280 173.280 174.173 -0.893 18292 10081 1 17 . 1 1 10 10 GLN CA C 10 50.242 50.242 53.675 -3.433 18292 10082 1 17 . 1 1 10 10 GLN CB C 10 30.263 30.263 32.691 -2.428 18292 10083 1 17 . 1 1 10 10 GLN H H 10 9.299 9.299 9.089 0.210 18292 10084 1 17 . 1 1 11 11 LEU N N 11 128.664 128.664 120.261 8.403 18292 10085 1 17 . 1 1 11 11 LEU HA H 11 5.474 5.474 5.261 0.212 18292 10086 1 17 . 1 1 11 11 LEU C C 11 173.987 173.987 177.510 -3.523 18292 10087 1 17 . 1 1 11 11 LEU CA C 11 50.153 50.153 53.432 -3.279 18292 10088 1 17 . 1 1 11 11 LEU CB C 11 41.779 41.779 44.674 -2.895 18292 10089 1 17 . 1 1 11 11 LEU H H 11 9.679 9.679 8.019 1.660 18292 10090 1 17 . 1 1 12 12 SER N N 12 115.661 115.661 114.153 1.508 18292 10091 1 17 . 1 1 12 12 SER HA H 12 4.877 4.877 4.713 0.164 18292 10092 1 17 . 1 1 12 12 SER C C 12 170.086 170.086 172.968 -2.882 18292 10093 1 17 . 1 1 12 12 SER CA C 12 54.698 54.698 58.063 -3.365 18292 10094 1 17 . 1 1 12 12 SER CB C 12 63.054 63.054 63.519 -0.465 18292 10095 1 17 . 1 1 12 12 SER H H 12 8.717 8.717 8.452 0.265 18292 10096 1 17 . 1 1 13 13 ASN N N 13 114.812 114.812 118.453 -3.641 18292 10097 1 17 . 1 1 13 13 ASN HA H 13 4.165 4.165 4.498 -0.333 18292 10098 1 17 . 1 1 13 13 ASN C C 13 171.867 171.867 173.936 -2.069 18292 10099 1 17 . 1 1 13 13 ASN CA C 13 51.269 51.269 53.124 -1.855 18292 10100 1 17 . 1 1 13 13 ASN CB C 13 34.988 34.988 39.145 -4.157 18292 10101 1 17 . 1 1 13 13 ASN H H 13 8.563 8.563 7.756 0.807 18292 10102 1 17 . 1 1 14 14 MET N N 14 113.100 113.100 117.851 -4.751 18292 10103 1 17 . 1 1 14 14 MET HA H 14 4.258 4.258 3.883 0.375 18292 10104 1 17 . 1 1 14 14 MET C C 14 171.935 171.935 175.306 -3.371 18292 10105 1 17 . 1 1 14 14 MET CA C 14 53.020 53.020 54.983 -1.964 18292 10106 1 17 . 1 1 14 14 MET CB C 14 29.746 29.746 32.298 -2.553 18292 10107 1 17 . 1 1 14 14 MET H H 14 8.261 8.261 7.705 0.556 18292 10108 1 17 . 1 1 15 15 PHE N N 15 108.769 108.769 110.838 -2.069 18292 10109 1 17 . 1 1 15 15 PHE HA H 15 4.485 4.485 4.747 -0.262 18292 10110 1 17 . 1 1 15 15 PHE C C 15 170.024 170.024 172.705 -2.681 18292 10111 1 17 . 1 1 15 15 PHE CA C 15 53.080 53.080 55.607 -2.527 18292 10112 1 17 . 1 1 15 15 PHE CB C 15 36.300 36.300 40.447 -4.147 18292 10113 1 17 . 1 1 15 15 PHE H H 15 6.804 6.804 6.642 0.162 18292 10114 1 17 . 1 1 16 16 ASN N N 16 117.922 117.922 117.621 0.301 18292 10115 1 17 . 1 1 16 16 ASN HA H 16 4.932 4.932 5.343 -0.411 18292 10116 1 17 . 1 1 16 16 ASN CA C 16 47.510 47.510 50.634 -3.124 18292 10117 1 17 . 1 1 16 16 ASN CB C 16 36.512 36.512 40.135 -3.623 18292 10118 1 17 . 1 1 16 16 ASN H H 16 8.681 8.681 8.495 0.186 18292 10119 1 17 . 1 1 17 17 PRO HA H 17 4.102 4.102 4.466 -0.364 18292 10120 1 17 . 1 1 17 17 PRO C C 17 174.773 174.773 177.218 -2.445 18292 10121 1 17 . 1 1 17 17 PRO CA C 17 61.933 61.933 65.239 -3.306 18292 10122 1 17 . 1 1 17 17 PRO CB C 17 29.557 29.557 32.242 -2.685 18292 10123 1 17 . 1 1 18 18 GLN N N 18 116.462 116.462 115.750 0.712 18292 10124 1 17 . 1 1 18 18 GLN HA H 18 4.146 4.146 4.199 -0.054 18292 10125 1 17 . 1 1 18 18 GLN C C 18 174.423 174.423 175.606 -1.183 18292 10126 1 17 . 1 1 18 18 GLN CA C 18 54.067 54.067 56.489 -2.422 18292 10127 1 17 . 1 1 18 18 GLN CB C 18 26.326 26.326 28.968 -2.642 18292 10128 1 17 . 1 1 18 18 GLN H H 18 7.934 7.934 8.306 -0.372 18292 10129 1 17 . 1 1 19 19 THR N N 19 112.362 112.362 116.111 -3.749 18292 10130 1 17 . 1 1 19 19 THR HA H 19 4.176 4.176 4.433 -0.257 18292 10131 1 17 . 1 1 19 19 THR C C 19 171.908 171.908 172.636 -0.728 18292 10132 1 17 . 1 1 19 19 THR CA C 19 59.509 59.509 61.634 -2.125 18292 10133 1 17 . 1 1 19 19 THR CB C 19 66.360 66.360 68.473 -2.113 18292 10134 1 17 . 1 1 19 19 THR H H 19 7.723 7.723 7.575 0.148 18292 10135 1 17 . 1 1 20 20 GLU N N 20 120.326 120.326 119.629 0.697 18292 10136 1 17 . 1 1 20 20 GLU HA H 20 3.658 3.658 3.453 0.205 18292 10137 1 17 . 1 1 20 20 GLU C C 20 173.311 173.311 174.451 -1.140 18292 10138 1 17 . 1 1 20 20 GLU CA C 20 53.164 53.164 53.852 -0.688 18292 10139 1 17 . 1 1 20 20 GLU CB C 20 25.837 25.837 30.762 -4.925 18292 10140 1 17 . 1 1 20 20 GLU H H 20 7.312 7.312 7.961 -0.649 18292 10141 1 17 . 1 1 21 21 GLU N N 21 120.796 120.796 118.697 2.099 18292 10142 1 17 . 1 1 21 21 GLU HA H 21 4.162 4.162 4.318 -0.156 18292 10143 1 17 . 1 1 21 21 GLU C C 21 173.747 173.747 175.266 -1.519 18292 10144 1 17 . 1 1 21 21 GLU CA C 21 53.873 53.873 54.865 -0.992 18292 10145 1 17 . 1 1 21 21 GLU CB C 21 28.445 28.445 32.394 -3.949 18292 10146 1 17 . 1 1 21 21 GLU H H 21 8.011 8.011 7.462 0.549 18292 10147 1 17 . 1 1 22 22 GLU N N 22 121.370 121.370 119.365 2.005 18292 10148 1 17 . 1 1 22 22 GLU HA H 22 4.393 4.393 4.429 -0.036 18292 10149 1 17 . 1 1 22 22 GLU C C 22 173.536 173.536 176.670 -3.134 18292 10150 1 17 . 1 1 22 22 GLU CA C 22 52.982 52.982 56.065 -3.083 18292 10151 1 17 . 1 1 22 22 GLU CB C 22 28.012 28.012 29.999 -1.987 18292 10152 1 17 . 1 1 22 22 GLU H H 22 8.039 8.039 8.317 -0.278 18292 10153 1 17 . 1 1 23 23 VAL N N 23 123.340 123.340 120.555 2.785 18292 10154 1 17 . 1 1 23 23 VAL HA H 23 3.901 3.901 3.813 0.088 18292 10155 1 17 . 1 1 23 23 VAL C C 23 175.077 175.077 176.920 -1.843 18292 10156 1 17 . 1 1 23 23 VAL CA C 23 61.540 61.540 64.598 -3.058 18292 10157 1 17 . 1 1 23 23 VAL CB C 23 29.361 29.361 30.944 -1.583 18292 10158 1 17 . 1 1 23 23 VAL H H 23 8.447 8.447 8.414 0.033 18292 10159 1 17 . 1 1 24 24 GLY N N 24 114.476 114.476 115.555 -1.079 18292 10160 1 17 . 1 1 24 24 GLY C C 24 173.717 173.717 175.488 -1.771 18292 10161 1 17 . 1 1 24 24 GLY CA C 24 42.667 42.667 44.939 -2.272 18292 10162 1 17 . 1 1 24 24 GLY H H 24 9.087 9.087 8.507 0.580 18292 10163 1 17 . 1 1 25 25 TRP N N 25 121.382 121.382 121.539 -0.157 18292 10164 1 17 . 1 1 25 25 TRP HA H 25 4.214 4.214 4.394 -0.180 18292 10165 1 17 . 1 1 25 25 TRP C C 25 174.056 174.056 175.380 -1.324 18292 10166 1 17 . 1 1 25 25 TRP CA C 25 56.093 56.093 58.146 -2.053 18292 10167 1 17 . 1 1 25 25 TRP CB C 25 25.016 25.016 28.564 -3.548 18292 10168 1 17 . 1 1 26 26 ASP N N 26 118.789 118.789 119.652 -0.863 18292 10169 1 17 . 1 1 26 26 ASP HA H 26 3.261 3.261 4.221 -0.960 18292 10170 1 17 . 1 1 26 26 ASP C C 26 174.709 174.709 177.879 -3.170 18292 10171 1 17 . 1 1 26 26 ASP CA C 26 52.705 52.705 56.482 -3.777 18292 10172 1 17 . 1 1 26 26 ASP CB C 26 34.503 34.503 39.091 -4.588 18292 10173 1 17 . 1 1 26 26 ASP H H 26 7.939 7.939 7.914 0.025 18292 10174 1 17 . 1 1 27 27 THR N N 27 118.934 118.934 116.464 2.470 18292 10175 1 17 . 1 1 27 27 THR HA H 27 3.552 3.552 3.967 -0.415 18292 10176 1 17 . 1 1 27 27 THR C C 27 172.390 172.390 176.401 -4.011 18292 10177 1 17 . 1 1 27 27 THR CA C 27 63.307 63.307 67.685 -4.378 18292 10178 1 17 . 1 1 27 27 THR CB C 27 65.331 65.331 68.577 -3.246 18292 10179 1 17 . 1 1 27 27 THR H H 27 7.103 7.103 8.212 -1.109 18292 10180 1 17 . 1 1 28 28 GLU N N 28 120.484 120.484 120.499 -0.015 18292 10181 1 17 . 1 1 28 28 GLU HA H 28 3.978 3.978 4.186 -0.208 18292 10182 1 17 . 1 1 28 28 GLU C C 28 175.447 175.447 178.566 -3.119 18292 10183 1 17 . 1 1 28 28 GLU CA C 28 56.760 56.760 59.509 -2.749 18292 10184 1 17 . 1 1 28 28 GLU CB C 28 26.418 26.418 29.475 -3.057 18292 10185 1 17 . 1 1 28 28 GLU H H 28 7.473 7.473 8.552 -1.079 18292 10186 1 17 . 1 1 29 29 ILE N N 29 116.961 116.961 118.447 -1.486 18292 10187 1 17 . 1 1 29 29 ILE HA H 29 3.773 3.773 4.010 -0.237 18292 10188 1 17 . 1 1 29 29 ILE C C 29 174.605 174.605 177.730 -3.125 18292 10189 1 17 . 1 1 29 29 ILE CA C 29 61.243 61.243 64.492 -3.249 18292 10190 1 17 . 1 1 29 29 ILE CB C 29 35.267 35.267 37.983 -2.716 18292 10191 1 17 . 1 1 29 29 ILE H H 29 7.113 7.113 7.578 -0.465 18292 10192 1 17 . 1 1 30 30 LYS N N 30 118.457 118.457 119.780 -1.323 18292 10193 1 17 . 1 1 30 30 LYS HA H 30 3.430 3.430 4.038 -0.608 18292 10194 1 17 . 1 1 30 30 LYS C C 30 174.886 174.886 178.509 -3.623 18292 10195 1 17 . 1 1 30 30 LYS CA C 30 57.872 57.872 59.108 -1.236 18292 10196 1 17 . 1 1 30 30 LYS CB C 30 29.680 29.680 31.842 -2.162 18292 10197 1 17 . 1 1 30 30 LYS H H 30 7.480 7.480 8.318 -0.838 18292 10198 1 17 . 1 1 31 31 ASP N N 31 118.630 118.630 119.650 -1.020 18292 10199 1 17 . 1 1 31 31 ASP HA H 31 4.233 4.233 4.451 -0.218 18292 10200 1 17 . 1 1 31 31 ASP C C 31 175.558 175.558 177.207 -1.649 18292 10201 1 17 . 1 1 31 31 ASP CA C 31 55.137 55.137 57.593 -2.456 18292 10202 1 17 . 1 1 31 31 ASP CB C 31 36.829 36.829 41.012 -4.183 18292 10203 1 17 . 1 1 31 31 ASP H H 31 8.334 8.334 7.608 0.726 18292 10204 1 17 . 1 1 32 32 ASP N N 32 120.576 120.576 118.914 1.662 18292 10205 1 17 . 1 1 32 32 ASP HA H 32 4.277 4.277 4.490 -0.213 18292 10206 1 17 . 1 1 32 32 ASP C C 32 176.966 176.966 178.090 -1.124 18292 10207 1 17 . 1 1 32 32 ASP CA C 32 54.829 54.829 57.063 -2.234 18292 10208 1 17 . 1 1 32 32 ASP CB C 32 37.331 37.331 40.950 -3.619 18292 10209 1 17 . 1 1 32 32 ASP H H 32 8.189 8.189 7.740 0.449 18292 10210 1 17 . 1 1 33 33 VAL N N 33 121.083 121.083 116.860 4.223 18292 10211 1 17 . 1 1 33 33 VAL HA H 33 3.444 3.444 4.000 -0.556 18292 10212 1 17 . 1 1 33 33 VAL C C 33 175.529 175.529 177.151 -1.622 18292 10213 1 17 . 1 1 33 33 VAL CA C 33 64.511 64.511 63.967 0.544 18292 10214 1 17 . 1 1 33 33 VAL CB C 33 28.920 28.920 31.780 -2.860 18292 10215 1 17 . 1 1 33 33 VAL H H 33 8.069 8.069 7.420 0.649 18292 10216 1 17 . 1 1 34 34 ILE N N 34 122.145 122.145 122.329 -0.184 18292 10217 1 17 . 1 1 34 34 ILE HA H 34 3.272 3.272 3.889 -0.617 18292 10218 1 17 . 1 1 34 34 ILE C C 34 174.723 174.723 178.822 -4.099 18292 10219 1 17 . 1 1 34 34 ILE CA C 34 63.723 63.723 64.858 -1.135 18292 10220 1 17 . 1 1 34 34 ILE CB C 34 35.949 35.949 38.205 -2.256 18292 10221 1 17 . 1 1 34 34 ILE H H 34 8.887 8.887 8.130 0.757 18292 10222 1 17 . 1 1 35 35 GLU N N 35 117.927 117.927 119.428 -1.501 18292 10223 1 17 . 1 1 35 35 GLU HA H 35 3.830 3.830 3.920 -0.090 18292 10224 1 17 . 1 1 35 35 GLU C C 35 176.747 176.747 178.881 -2.134 18292 10225 1 17 . 1 1 35 35 GLU CA C 35 57.183 57.183 59.916 -2.732 18292 10226 1 17 . 1 1 35 35 GLU CB C 35 26.969 26.969 29.007 -2.038 18292 10227 1 17 . 1 1 35 35 GLU H H 35 8.565 8.565 7.926 0.639 18292 10228 1 17 . 1 1 36 36 GLU N N 36 117.299 117.299 118.208 -0.909 18292 10229 1 17 . 1 1 36 36 GLU HA H 36 4.012 4.012 4.145 -0.133 18292 10230 1 17 . 1 1 36 36 GLU C C 36 176.604 176.604 179.384 -2.780 18292 10231 1 17 . 1 1 36 36 GLU CA C 36 56.357 56.357 59.280 -2.923 18292 10232 1 17 . 1 1 36 36 GLU CB C 36 26.612 26.612 29.588 -2.976 18292 10233 1 17 . 1 1 36 36 GLU H H 36 7.523 7.523 8.209 -0.686 18292 10234 1 17 . 1 1 37 37 CYS N N 37 116.308 116.308 118.571 -2.263 18292 10235 1 17 . 1 1 37 37 CYS HA H 37 4.141 4.141 4.290 -0.149 18292 10236 1 17 . 1 1 37 37 CYS C C 37 175.888 175.888 176.733 -0.845 18292 10237 1 17 . 1 1 37 37 CYS CA C 37 61.915 61.915 62.385 -0.470 18292 10238 1 17 . 1 1 37 37 CYS CB C 37 24.513 24.513 26.593 -2.080 18292 10239 1 17 . 1 1 37 37 CYS H H 37 8.754 8.754 7.764 0.990 18292 10240 1 17 . 1 1 38 38 ASN N N 38 121.598 121.598 118.819 2.779 18292 10241 1 17 . 1 1 38 38 ASN HA H 38 4.452 4.452 4.507 -0.055 18292 10242 1 17 . 1 1 38 38 ASN C C 38 174.340 174.340 176.552 -2.212 18292 10243 1 17 . 1 1 38 38 ASN CA C 38 52.249 52.249 55.312 -3.063 18292 10244 1 17 . 1 1 38 38 ASN CB C 38 34.488 34.488 37.990 -3.502 18292 10245 1 17 . 1 1 38 38 ASN H H 38 8.800 8.800 8.341 0.459 18292 10246 1 17 . 1 1 39 39 LYS N N 39 119.297 119.297 116.994 2.303 18292 10247 1 17 . 1 1 39 39 LYS HA H 39 4.002 4.002 4.042 -0.040 18292 10248 1 17 . 1 1 39 39 LYS C C 39 174.388 174.388 176.719 -2.331 18292 10249 1 17 . 1 1 39 39 LYS CA C 39 55.239 55.239 57.134 -1.895 18292 10250 1 17 . 1 1 39 39 LYS CB C 39 29.477 29.477 32.289 -2.812 18292 10251 1 17 . 1 1 39 39 LYS H H 39 7.427 7.427 7.358 0.069 18292 10252 1 17 . 1 1 40 40 HIS N N 40 114.421 114.421 114.830 -0.409 18292 10253 1 17 . 1 1 40 40 HIS HA H 40 4.896 4.896 4.808 0.088 18292 10254 1 17 . 1 1 40 40 HIS C C 40 171.895 171.895 176.284 -4.389 18292 10255 1 17 . 1 1 40 40 HIS CA C 40 51.758 51.758 56.930 -5.172 18292 10256 1 17 . 1 1 40 40 HIS CB C 40 28.775 28.775 32.232 -3.457 18292 10257 1 17 . 1 1 40 40 HIS H H 40 7.453 7.453 7.747 -0.294 18292 10258 1 17 . 1 1 41 41 GLY N N 41 106.587 106.587 105.893 0.694 18292 10259 1 17 . 1 1 41 41 GLY C C 41 171.376 171.376 173.872 -2.496 18292 10260 1 17 . 1 1 41 41 GLY CA C 41 42.388 42.388 45.288 -2.900 18292 10261 1 17 . 1 1 41 41 GLY H H 41 7.599 7.599 8.373 -0.774 18292 10262 1 17 . 1 1 42 42 GLY N N 42 107.066 107.066 109.189 -2.123 18292 10263 1 17 . 1 1 42 42 GLY C C 42 169.120 169.120 171.891 -2.771 18292 10264 1 17 . 1 1 42 42 GLY CA C 42 41.518 41.518 44.813 -3.295 18292 10265 1 17 . 1 1 42 42 GLY H H 42 7.942 7.942 8.099 -0.157 18292 10266 1 17 . 1 1 43 43 VAL N N 43 114.640 114.640 119.145 -4.505 18292 10267 1 17 . 1 1 43 43 VAL HA H 43 4.527 4.527 4.515 0.012 18292 10268 1 17 . 1 1 43 43 VAL C C 43 169.861 169.861 174.927 -5.066 18292 10269 1 17 . 1 1 43 43 VAL CA C 43 58.404 58.404 59.226 -0.822 18292 10270 1 17 . 1 1 43 43 VAL CB C 43 31.692 31.692 34.380 -2.688 18292 10271 1 17 . 1 1 43 43 VAL H H 43 8.679 8.679 8.229 0.450 18292 10272 1 17 . 1 1 44 44 ILE N N 44 115.792 115.792 121.865 -6.073 18292 10273 1 17 . 1 1 44 44 ILE HA H 44 4.918 4.918 4.918 -0.000 18292 10274 1 17 . 1 1 44 44 ILE C C 44 172.246 172.246 174.689 -2.443 18292 10275 1 17 . 1 1 44 44 ILE CA C 44 57.770 57.770 60.692 -2.922 18292 10276 1 17 . 1 1 44 44 ILE CB C 44 37.197 37.197 39.667 -2.470 18292 10277 1 17 . 1 1 44 44 ILE H H 44 8.587 8.587 8.493 0.094 18292 10278 1 17 . 1 1 45 45 HIS N N 45 122.684 122.684 117.083 5.601 18292 10279 1 17 . 1 1 45 45 HIS HA H 45 4.426 4.426 4.872 -0.446 18292 10280 1 17 . 1 1 45 45 HIS C C 45 168.452 168.452 173.008 -4.556 18292 10281 1 17 . 1 1 45 45 HIS CA C 45 55.548 55.548 56.085 -0.537 18292 10282 1 17 . 1 1 45 45 HIS CB C 45 31.632 31.632 34.383 -2.751 18292 10283 1 17 . 1 1 45 45 HIS H H 45 7.791 7.791 7.756 0.035 18292 10284 1 17 . 1 1 46 46 ILE N N 46 123.917 123.917 123.872 0.045 18292 10285 1 17 . 1 1 46 46 ILE HA H 46 5.120 5.120 4.944 0.176 18292 10286 1 17 . 1 1 46 46 ILE C C 46 170.171 170.171 173.437 -3.266 18292 10287 1 17 . 1 1 46 46 ILE CA C 46 56.063 56.063 59.391 -3.328 18292 10288 1 17 . 1 1 46 46 ILE CB C 46 39.753 39.753 42.079 -2.326 18292 10289 1 17 . 1 1 46 46 ILE H H 46 7.391 7.391 8.225 -0.834 18292 10290 1 17 . 1 1 47 47 TYR N N 47 125.750 125.750 127.101 -1.351 18292 10291 1 17 . 1 1 47 47 TYR HA H 47 4.370 4.370 4.827 -0.457 18292 10292 1 17 . 1 1 47 47 TYR C C 47 171.029 171.029 172.975 -1.946 18292 10293 1 17 . 1 1 47 47 TYR CA C 47 54.800 54.800 56.171 -1.371 18292 10294 1 17 . 1 1 47 47 TYR CB C 47 39.851 39.851 41.788 -1.937 18292 10295 1 17 . 1 1 47 47 TYR H H 47 9.055 9.055 8.801 0.254 18292 10296 1 17 . 1 1 48 48 VAL N N 48 129.720 129.720 128.263 1.457 18292 10297 1 17 . 1 1 48 48 VAL HA H 48 3.869 3.869 4.160 -0.291 18292 10298 1 17 . 1 1 48 48 VAL C C 48 170.949 170.949 173.624 -2.675 18292 10299 1 17 . 1 1 48 48 VAL CA C 48 59.328 59.328 60.725 -1.397 18292 10300 1 17 . 1 1 48 48 VAL CB C 48 29.022 29.022 33.396 -4.374 18292 10301 1 17 . 1 1 48 48 VAL H H 48 8.290 8.290 8.472 -0.182 18292 10302 1 17 . 1 1 49 49 ASP N N 49 125.287 125.287 128.758 -3.471 18292 10303 1 17 . 1 1 49 49 ASP HA H 49 4.703 4.703 4.816 -0.113 18292 10304 1 17 . 1 1 49 49 ASP C C 49 173.851 173.851 176.344 -2.493 18292 10305 1 17 . 1 1 49 49 ASP CA C 49 50.349 50.349 52.532 -2.183 18292 10306 1 17 . 1 1 49 49 ASP CB C 49 38.139 38.139 42.021 -3.882 18292 10307 1 17 . 1 1 49 49 ASP H H 49 8.274 8.274 8.173 0.101 18292 10308 1 17 . 1 1 50 50 LYS N N 50 125.099 125.099 125.214 -0.115 18292 10309 1 17 . 1 1 50 50 LYS HA H 50 4.096 4.096 3.612 0.484 18292 10310 1 17 . 1 1 50 50 LYS C C 50 173.120 173.120 177.790 -4.670 18292 10311 1 17 . 1 1 50 50 LYS CA C 50 56.284 56.284 58.574 -2.289 18292 10312 1 17 . 1 1 50 50 LYS CB C 50 29.763 29.763 32.306 -2.543 18292 10313 1 17 . 1 1 50 50 LYS H H 50 8.090 8.090 8.688 -0.598 18292 10314 1 17 . 1 1 51 51 ASN N N 51 114.422 114.422 116.506 -2.084 18292 10315 1 17 . 1 1 51 51 ASN HA H 51 4.931 4.931 4.890 0.041 18292 10316 1 17 . 1 1 51 51 ASN C C 51 172.685 172.685 176.188 -3.503 18292 10317 1 17 . 1 1 51 51 ASN CA C 51 50.744 50.744 54.482 -3.738 18292 10318 1 17 . 1 1 51 51 ASN CB C 51 37.036 37.036 38.898 -1.861 18292 10319 1 17 . 1 1 51 51 ASN H H 51 8.272 8.272 8.712 -0.440 18292 10320 1 17 . 1 1 52 52 SER N N 52 115.013 115.013 116.075 -1.062 18292 10321 1 17 . 1 1 52 52 SER HA H 52 4.410 4.410 4.417 -0.007 18292 10322 1 17 . 1 1 52 52 SER C C 52 172.628 172.628 174.766 -2.138 18292 10323 1 17 . 1 1 52 52 SER CA C 52 55.035 55.035 60.258 -5.223 18292 10324 1 17 . 1 1 52 52 SER CB C 52 61.604 61.604 63.266 -1.662 18292 10325 1 17 . 1 1 52 52 SER H H 52 7.920 7.920 7.796 0.124 18292 10326 1 17 . 1 1 53 53 ALA N N 53 129.163 129.163 123.034 6.129 18292 10327 1 17 . 1 1 53 53 ALA HA H 53 4.088 4.088 3.993 0.095 18292 10328 1 17 . 1 1 53 53 ALA C C 53 175.951 175.951 177.065 -1.114 18292 10329 1 17 . 1 1 53 53 ALA CA C 53 51.409 51.409 54.208 -2.799 18292 10330 1 17 . 1 1 53 53 ALA CB C 53 15.878 15.878 17.091 -1.214 18292 10331 1 17 . 1 1 53 53 ALA H H 53 8.837 8.837 8.693 0.144 18292 10332 1 17 . 1 1 54 54 GLN N N 54 113.081 113.081 119.499 -6.418 18292 10333 1 17 . 1 1 54 54 GLN HA H 54 4.202 4.202 4.350 -0.148 18292 10334 1 17 . 1 1 54 54 GLN C C 54 173.388 173.388 175.913 -2.525 18292 10335 1 17 . 1 1 54 54 GLN CA C 54 52.993 52.993 54.471 -1.478 18292 10336 1 17 . 1 1 54 54 GLN CB C 54 26.360 26.360 29.610 -3.250 18292 10337 1 17 . 1 1 54 54 GLN H H 54 7.836 7.836 8.052 -0.216 18292 10338 1 17 . 1 1 55 55 GLY N N 55 108.967 108.967 107.222 1.745 18292 10339 1 17 . 1 1 55 55 GLY CA C 55 45.087 45.087 44.809 0.278 18292 10340 1 17 . 1 1 55 55 GLY H H 55 7.191 7.191 8.358 -1.167 18292 10341 1 17 . 1 1 56 56 ASN N N 56 114.505 114.505 117.030 -2.525 18292 10342 1 17 . 1 1 56 56 ASN HA H 56 5.520 5.520 4.791 0.729 18292 10343 1 17 . 1 1 56 56 ASN C C 56 172.166 172.166 174.511 -2.345 18292 10344 1 17 . 1 1 56 56 ASN CA C 56 50.462 50.462 53.441 -2.978 18292 10345 1 17 . 1 1 56 56 ASN CB C 56 38.400 38.400 40.265 -1.865 18292 10346 1 17 . 1 1 56 56 ASN H H 56 7.614 7.614 7.902 -0.288 18292 10347 1 17 . 1 1 57 57 VAL N N 57 119.859 119.859 117.366 2.493 18292 10348 1 17 . 1 1 57 57 VAL HA H 57 4.692 4.692 4.421 0.271 18292 10349 1 17 . 1 1 57 57 VAL C C 57 170.667 170.667 174.081 -3.414 18292 10350 1 17 . 1 1 57 57 VAL CA C 57 58.163 58.163 61.155 -2.992 18292 10351 1 17 . 1 1 57 57 VAL CB C 57 33.663 33.663 36.362 -2.700 18292 10352 1 17 . 1 1 57 57 VAL H H 57 8.354 8.354 7.736 0.618 18292 10353 1 17 . 1 1 58 58 TYR N N 58 128.478 128.478 122.360 6.118 18292 10354 1 17 . 1 1 58 58 TYR HA H 58 4.937 4.937 4.726 0.211 18292 10355 1 17 . 1 1 58 58 TYR C C 58 170.605 170.605 174.051 -3.446 18292 10356 1 17 . 1 1 58 58 TYR CA C 58 55.354 55.354 57.357 -2.003 18292 10357 1 17 . 1 1 58 58 TYR CB C 58 37.775 37.775 41.289 -3.514 18292 10358 1 17 . 1 1 58 58 TYR H H 58 9.275 9.275 9.007 0.268 18292 10359 1 17 . 1 1 59 59 VAL N N 59 123.117 123.117 123.102 0.015 18292 10360 1 17 . 1 1 59 59 VAL HA H 59 4.462 4.462 4.649 -0.187 18292 10361 1 17 . 1 1 59 59 VAL C C 59 170.875 170.875 173.943 -3.068 18292 10362 1 17 . 1 1 59 59 VAL CA C 59 58.527 58.527 60.245 -1.718 18292 10363 1 17 . 1 1 59 59 VAL CB C 59 32.611 32.611 35.597 -2.986 18292 10364 1 17 . 1 1 59 59 VAL H H 59 8.860 8.860 8.739 0.121 18292 10365 1 17 . 1 1 60 60 LYS N N 60 123.266 123.266 127.436 -4.170 18292 10366 1 17 . 1 1 60 60 LYS HA H 60 4.745 4.745 4.566 0.179 18292 10367 1 17 . 1 1 60 60 LYS C C 60 173.399 173.399 175.232 -1.833 18292 10368 1 17 . 1 1 60 60 LYS CA C 60 52.207 52.207 54.688 -2.481 18292 10369 1 17 . 1 1 60 60 LYS CB C 60 34.244 34.244 33.344 0.899 18292 10370 1 17 . 1 1 60 60 LYS H H 60 8.668 8.668 8.521 0.147 18292 10371 1 17 . 1 1 61 61 CYS N N 61 125.267 125.267 127.120 -1.853 18292 10372 1 17 . 1 1 61 61 CYS HA H 61 4.740 4.740 4.765 -0.025 18292 10373 1 17 . 1 1 61 61 CYS CA C 61 56.393 56.393 56.397 -0.004 18292 10374 1 17 . 1 1 61 61 CYS CB C 61 27.416 27.416 29.134 -1.718 18292 10375 1 17 . 1 1 61 61 CYS H H 61 9.207 9.207 8.935 0.272 18292 10376 1 17 . 1 1 62 62 PRO HA H 62 4.266 4.266 4.481 -0.215 18292 10377 1 17 . 1 1 62 62 PRO C C 62 171.443 171.443 175.952 -4.509 18292 10378 1 17 . 1 1 62 62 PRO CA C 62 61.167 61.167 63.791 -2.624 18292 10379 1 17 . 1 1 62 62 PRO CB C 62 29.450 29.450 32.261 -2.811 18292 10380 1 17 . 1 1 63 63 SER N N 63 108.558 108.558 113.255 -4.697 18292 10381 1 17 . 1 1 63 63 SER HA H 63 4.606 4.606 4.695 -0.089 18292 10382 1 17 . 1 1 63 63 SER C C 63 171.147 171.147 174.398 -3.251 18292 10383 1 17 . 1 1 63 63 SER CA C 63 53.259 53.259 56.767 -3.508 18292 10384 1 17 . 1 1 63 63 SER CB C 63 63.378 63.378 66.755 -3.377 18292 10385 1 17 . 1 1 63 63 SER H H 63 6.990 6.990 7.801 -0.811 18292 10386 1 17 . 1 1 64 64 ILE N N 64 122.885 122.885 124.912 -2.027 18292 10387 1 17 . 1 1 64 64 ILE HA H 64 3.462 3.462 3.797 -0.335 18292 10388 1 17 . 1 1 64 64 ILE C C 64 174.204 174.204 177.511 -3.307 18292 10389 1 17 . 1 1 64 64 ILE CA C 64 62.955 62.955 65.440 -2.485 18292 10390 1 17 . 1 1 64 64 ILE CB C 64 35.297 35.297 37.767 -2.470 18292 10391 1 17 . 1 1 64 64 ILE H H 64 8.786 8.786 8.913 -0.127 18292 10392 1 17 . 1 1 65 65 ALA N N 65 120.653 120.653 121.259 -0.606 18292 10393 1 17 . 1 1 65 65 ALA HA H 65 3.890 3.890 4.078 -0.188 18292 10394 1 17 . 1 1 65 65 ALA C C 65 177.926 177.926 179.381 -1.455 18292 10395 1 17 . 1 1 65 65 ALA CA C 65 52.772 52.772 54.984 -2.212 18292 10396 1 17 . 1 1 65 65 ALA CB C 65 15.552 15.552 17.661 -2.109 18292 10397 1 17 . 1 1 65 65 ALA H H 65 8.287 8.287 8.476 -0.189 18292 10398 1 17 . 1 1 66 66 ALA N N 66 119.802 119.802 121.159 -1.357 18292 10399 1 17 . 1 1 66 66 ALA HA H 66 4.344 4.344 4.061 0.283 18292 10400 1 17 . 1 1 66 66 ALA C C 66 176.063 176.063 179.036 -2.973 18292 10401 1 17 . 1 1 66 66 ALA CA C 66 52.108 52.108 54.603 -2.495 18292 10402 1 17 . 1 1 66 66 ALA CB C 66 16.106 16.106 18.792 -2.686 18292 10403 1 17 . 1 1 66 66 ALA H H 66 7.952 7.952 7.495 0.457 18292 10404 1 17 . 1 1 67 67 ALA N N 67 121.626 121.626 122.173 -0.547 18292 10405 1 17 . 1 1 67 67 ALA HA H 67 4.398 4.398 3.952 0.446 18292 10406 1 17 . 1 1 67 67 ALA C C 67 175.824 175.824 179.441 -3.617 18292 10407 1 17 . 1 1 67 67 ALA CA C 67 53.135 53.135 54.759 -1.624 18292 10408 1 17 . 1 1 67 67 ALA CB C 67 17.020 17.020 18.321 -1.301 18292 10409 1 17 . 1 1 67 67 ALA H H 67 7.332 7.332 7.548 -0.216 18292 10410 1 17 . 1 1 68 68 ILE N N 68 117.793 117.793 119.624 -1.831 18292 10411 1 17 . 1 1 68 68 ILE HA H 68 4.185 4.185 3.801 0.384 18292 10412 1 17 . 1 1 68 68 ILE C C 68 176.163 176.163 178.205 -2.042 18292 10413 1 17 . 1 1 68 68 ILE CA C 68 61.323 61.323 65.313 -3.990 18292 10414 1 17 . 1 1 68 68 ILE CB C 68 36.657 36.657 37.839 -1.182 18292 10415 1 17 . 1 1 68 68 ILE H H 68 8.655 8.655 8.559 0.096 18292 10416 1 17 . 1 1 69 69 ALA N N 69 119.051 119.051 120.629 -1.578 18292 10417 1 17 . 1 1 69 69 ALA HA H 69 3.836 3.836 3.783 0.053 18292 10418 1 17 . 1 1 69 69 ALA C C 69 177.325 177.325 179.232 -1.907 18292 10419 1 17 . 1 1 69 69 ALA CA C 69 51.781 51.781 54.792 -3.011 18292 10420 1 17 . 1 1 69 69 ALA CB C 69 15.767 15.767 17.729 -1.962 18292 10421 1 17 . 1 1 69 69 ALA H H 69 7.377 7.377 7.613 -0.236 18292 10422 1 17 . 1 1 70 70 ALA N N 70 121.378 121.378 122.288 -0.910 18292 10423 1 17 . 1 1 70 70 ALA HA H 70 3.544 3.544 3.880 -0.336 18292 10424 1 17 . 1 1 70 70 ALA C C 70 176.012 176.012 179.129 -3.117 18292 10425 1 17 . 1 1 70 70 ALA CA C 70 52.966 52.966 54.780 -1.814 18292 10426 1 17 . 1 1 70 70 ALA CB C 70 16.740 16.740 18.189 -1.449 18292 10427 1 17 . 1 1 70 70 ALA H H 70 7.798 7.798 7.724 0.074 18292 10428 1 17 . 1 1 71 71 VAL N N 71 119.944 119.944 118.345 1.599 18292 10429 1 17 . 1 1 71 71 VAL HA H 71 2.524 2.524 2.994 -0.470 18292 10430 1 17 . 1 1 71 71 VAL C C 71 175.408 175.408 177.913 -2.505 18292 10431 1 17 . 1 1 71 71 VAL CA C 71 64.993 64.993 66.909 -1.916 18292 10432 1 17 . 1 1 71 71 VAL CB C 71 28.184 28.184 31.099 -2.915 18292 10433 1 17 . 1 1 71 71 VAL H H 71 8.662 8.662 8.062 0.600 18292 10434 1 17 . 1 1 72 72 ASN N N 72 114.981 114.981 117.501 -2.520 18292 10435 1 17 . 1 1 72 72 ASN HA H 72 4.244 4.244 4.334 -0.090 18292 10436 1 17 . 1 1 72 72 ASN C C 72 174.490 174.490 176.464 -1.974 18292 10437 1 17 . 1 1 72 72 ASN CA C 72 52.776 52.776 56.187 -3.411 18292 10438 1 17 . 1 1 72 72 ASN CB C 72 35.394 35.394 38.445 -3.051 18292 10439 1 17 . 1 1 72 72 ASN H H 72 8.061 8.061 7.907 0.154 18292 10440 1 17 . 1 1 73 73 ALA N N 73 120.308 120.308 121.399 -1.091 18292 10441 1 17 . 1 1 73 73 ALA HA H 73 4.162 4.162 4.098 0.064 18292 10442 1 17 . 1 1 73 73 ALA C C 73 176.245 176.245 179.046 -2.801 18292 10443 1 17 . 1 1 73 73 ALA CA C 73 51.058 51.058 54.475 -3.417 18292 10444 1 17 . 1 1 73 73 ALA CB C 73 17.457 17.457 19.109 -1.652 18292 10445 1 17 . 1 1 73 73 ALA H H 73 7.230 7.230 7.802 -0.572 18292 10446 1 17 . 1 1 74 74 LEU N N 74 118.156 118.156 116.748 1.408 18292 10447 1 17 . 1 1 74 74 LEU HA H 74 4.021 4.021 4.133 -0.112 18292 10448 1 17 . 1 1 74 74 LEU C C 74 173.863 173.863 177.250 -3.387 18292 10449 1 17 . 1 1 74 74 LEU CA C 74 53.853 53.853 56.269 -2.416 18292 10450 1 17 . 1 1 74 74 LEU CB C 74 41.552 41.552 42.068 -0.516 18292 10451 1 17 . 1 1 74 74 LEU H H 74 7.856 7.856 7.921 -0.065 18292 10452 1 17 . 1 1 75 75 HIS N N 75 117.126 117.126 118.884 -1.758 18292 10453 1 17 . 1 1 75 75 HIS HA H 75 3.830 3.830 4.220 -0.390 18292 10454 1 17 . 1 1 75 75 HIS C C 75 174.851 174.851 175.950 -1.099 18292 10455 1 17 . 1 1 75 75 HIS CA C 75 56.621 56.621 58.238 -1.617 18292 10456 1 17 . 1 1 75 75 HIS CB C 75 28.299 28.299 29.458 -1.159 18292 10457 1 17 . 1 1 75 75 HIS H H 75 8.434 8.434 8.102 0.332 18292 10458 1 17 . 1 1 76 76 GLY N N 76 116.761 116.761 116.164 0.597 18292 10459 1 17 . 1 1 76 76 GLY CA C 76 42.221 42.221 44.875 -2.654 18292 10460 1 17 . 1 1 76 76 GLY H H 76 8.418 8.418 8.460 -0.042 18292 10461 1 17 . 1 1 77 77 ARG N N 77 120.430 120.430 118.931 1.499 18292 10462 1 17 . 1 1 77 77 ARG HA H 77 4.248 4.248 4.222 0.026 18292 10463 1 17 . 1 1 77 77 ARG C C 77 173.536 173.536 174.833 -1.297 18292 10464 1 17 . 1 1 77 77 ARG CA C 77 53.029 53.029 56.016 -2.987 18292 10465 1 17 . 1 1 77 77 ARG CB C 77 29.058 29.058 31.647 -2.589 18292 10466 1 17 . 1 1 77 77 ARG H H 77 7.385 7.385 7.357 0.028 18292 10467 1 17 . 1 1 78 78 TRP N N 78 122.989 122.989 118.637 4.352 18292 10468 1 17 . 1 1 78 78 TRP HA H 78 4.941 4.941 5.023 -0.082 18292 10469 1 17 . 1 1 78 78 TRP C C 78 173.888 173.888 176.219 -2.331 18292 10470 1 17 . 1 1 78 78 TRP CA C 78 54.234 54.234 56.453 -2.219 18292 10471 1 17 . 1 1 78 78 TRP CB C 78 26.923 26.923 31.322 -4.399 18292 10472 1 17 . 1 1 78 78 TRP H H 78 8.463 8.463 8.366 0.097 18292 10473 1 17 . 1 1 79 79 PHE N N 79 126.899 126.899 122.468 4.431 18292 10474 1 17 . 1 1 79 79 PHE HA H 79 4.637 4.637 4.922 -0.285 18292 10475 1 17 . 1 1 79 79 PHE C C 79 171.696 171.696 175.655 -3.959 18292 10476 1 17 . 1 1 79 79 PHE CA C 79 54.624 54.624 55.930 -1.306 18292 10477 1 17 . 1 1 79 79 PHE CB C 79 39.577 39.577 42.046 -2.469 18292 10478 1 17 . 1 1 79 79 PHE H H 79 9.500 9.500 9.046 0.454 18292 10479 1 17 . 1 1 80 80 ALA N N 80 130.285 130.285 124.623 5.662 18292 10480 1 17 . 1 1 80 80 ALA HA H 80 3.705 3.705 4.227 -0.522 18292 10481 1 17 . 1 1 80 80 ALA C C 80 174.560 174.560 177.519 -2.959 18292 10482 1 17 . 1 1 80 80 ALA CA C 80 49.993 49.993 52.476 -2.483 18292 10483 1 17 . 1 1 80 80 ALA CB C 80 14.479 14.479 16.946 -2.467 18292 10484 1 17 . 1 1 80 80 ALA H H 80 8.840 8.840 8.354 0.486 18292 10485 1 17 . 1 1 81 81 GLY N N 81 102.771 102.771 108.400 -5.629 18292 10486 1 17 . 1 1 81 81 GLY C C 81 171.087 171.087 173.448 -2.361 18292 10487 1 17 . 1 1 81 81 GLY CA C 81 42.891 42.891 45.353 -2.462 18292 10488 1 17 . 1 1 81 81 GLY H H 81 8.268 8.268 8.376 -0.108 18292 10489 1 17 . 1 1 82 82 LYS N N 82 120.307 120.307 116.440 3.867 18292 10490 1 17 . 1 1 82 82 LYS HA H 82 4.469 4.469 4.563 -0.094 18292 10491 1 17 . 1 1 82 82 LYS C C 82 170.688 170.688 173.750 -3.062 18292 10492 1 17 . 1 1 82 82 LYS CA C 82 52.029 52.029 54.544 -2.515 18292 10493 1 17 . 1 1 82 82 LYS CB C 82 32.776 32.776 34.003 -1.227 18292 10494 1 17 . 1 1 82 82 LYS H H 82 7.791 7.791 7.723 0.068 18292 10495 1 17 . 1 1 83 83 MET N N 83 121.212 121.212 120.954 0.258 18292 10496 1 17 . 1 1 83 83 MET HA H 83 3.871 3.871 4.261 -0.390 18292 10497 1 17 . 1 1 83 83 MET C C 83 173.474 173.474 174.378 -0.904 18292 10498 1 17 . 1 1 83 83 MET CA C 83 51.968 51.968 53.495 -1.527 18292 10499 1 17 . 1 1 83 83 MET CB C 83 30.275 30.275 32.874 -2.599 18292 10500 1 17 . 1 1 83 83 MET H H 83 7.953 7.953 8.385 -0.432 18292 10501 1 17 . 1 1 84 84 ILE N N 84 128.512 128.512 124.812 3.700 18292 10502 1 17 . 1 1 84 84 ILE HA H 84 4.230 4.230 3.893 0.337 18292 10503 1 17 . 1 1 84 84 ILE C C 84 173.459 173.459 175.705 -2.246 18292 10504 1 17 . 1 1 84 84 ILE CA C 84 58.832 58.832 60.151 -1.319 18292 10505 1 17 . 1 1 84 84 ILE CB C 84 36.088 36.088 37.837 -1.749 18292 10506 1 17 . 1 1 84 84 ILE H H 84 8.683 8.683 8.133 0.550 18292 10507 1 17 . 1 1 85 85 THR N N 85 115.456 115.456 114.487 0.969 18292 10508 1 17 . 1 1 85 85 THR HA H 85 4.825 4.825 4.069 0.756 18292 10509 1 17 . 1 1 85 85 THR CA C 85 56.520 56.520 59.521 -3.001 18292 10510 1 17 . 1 1 85 85 THR CB C 85 68.803 68.803 71.852 -3.049 18292 10511 1 17 . 1 1 85 85 THR H H 85 7.318 7.318 7.738 -0.420 18292 10512 1 17 . 1 1 86 86 ALA N N 86 128.004 128.004 123.794 4.210 18292 10513 1 17 . 1 1 86 86 ALA HA H 86 5.542 5.542 5.527 0.015 18292 10514 1 17 . 1 1 86 86 ALA C C 86 173.070 173.070 175.200 -2.130 18292 10515 1 17 . 1 1 86 86 ALA CA C 86 47.491 47.491 50.364 -2.873 18292 10516 1 17 . 1 1 86 86 ALA CB C 86 22.241 22.241 22.733 -0.492 18292 10517 1 17 . 1 1 86 86 ALA H H 86 10.712 10.712 8.848 1.864 18292 10518 1 17 . 1 1 87 87 ALA N N 87 122.902 122.902 123.654 -0.752 18292 10519 1 17 . 1 1 87 87 ALA HA H 87 4.499 4.499 5.004 -0.505 18292 10520 1 17 . 1 1 87 87 ALA C C 87 173.781 173.781 175.143 -1.362 18292 10521 1 17 . 1 1 87 87 ALA CA C 87 47.989 47.989 51.641 -3.651 18292 10522 1 17 . 1 1 87 87 ALA CB C 87 19.981 19.981 22.162 -2.181 18292 10523 1 17 . 1 1 87 87 ALA H H 87 8.413 8.413 8.693 -0.280 18292 10524 1 17 . 1 1 88 88 TYR N N 88 120.267 120.267 119.890 0.377 18292 10525 1 17 . 1 1 88 88 TYR HA H 88 4.723 4.723 5.126 -0.403 18292 10526 1 17 . 1 1 88 88 TYR C C 88 173.615 173.615 176.823 -3.208 18292 10527 1 17 . 1 1 88 88 TYR CA C 88 57.556 57.556 58.572 -1.016 18292 10528 1 17 . 1 1 88 88 TYR CB C 88 36.474 36.474 40.014 -3.540 18292 10529 1 17 . 1 1 88 88 TYR H H 88 8.311 8.311 8.689 -0.378 18292 10530 1 17 . 1 1 89 89 VAL N N 89 123.298 123.298 115.391 7.907 18292 10531 1 17 . 1 1 89 89 VAL HA H 89 4.696 4.696 4.773 -0.077 18292 10532 1 17 . 1 1 89 89 VAL CA C 89 55.899 55.899 58.390 -2.491 18292 10533 1 17 . 1 1 89 89 VAL CB C 89 33.445 33.445 34.029 -0.584 18292 10534 1 17 . 1 1 89 89 VAL H H 89 8.420 8.420 8.302 0.118 18292 10535 1 17 . 1 1 90 90 PRO HA H 90 4.450 4.450 4.706 -0.256 18292 10536 1 17 . 1 1 90 90 PRO CA C 90 60.310 60.310 62.649 -2.339 18292 10537 1 17 . 1 1 90 90 PRO CB C 90 30.489 30.489 31.841 -1.352 18292 10538 1 17 . 1 1 91 91 LEU N N 91 126.649 126.649 126.519 0.130 18292 10539 1 17 . 1 1 91 91 LEU HA H 91 3.975 3.975 4.201 -0.226 18292 10540 1 17 . 1 1 91 91 LEU CA C 91 56.691 56.691 59.822 -3.131 18292 10541 1 17 . 1 1 91 91 LEU CB C 91 37.139 37.139 39.885 -2.746 18292 10542 1 17 . 1 1 91 91 LEU H H 91 8.997 8.997 8.694 0.303 18292 10543 1 17 . 1 1 92 92 PRO HA H 92 4.211 4.211 4.518 -0.307 18292 10544 1 17 . 1 1 92 92 PRO C C 92 177.175 177.175 177.540 -0.365 18292 10545 1 17 . 1 1 92 92 PRO CA C 92 63.104 63.104 64.828 -1.724 18292 10546 1 17 . 1 1 92 92 PRO CB C 92 27.973 27.973 31.385 -3.412 18292 10547 1 17 . 1 1 93 93 THR N N 93 112.839 112.839 114.033 -1.194 18292 10548 1 17 . 1 1 93 93 THR HA H 93 3.827 3.827 4.483 -0.656 18292 10549 1 17 . 1 1 93 93 THR C C 93 172.669 172.669 175.426 -2.757 18292 10550 1 17 . 1 1 93 93 THR CA C 93 63.096 63.096 64.643 -1.547 18292 10551 1 17 . 1 1 93 93 THR CB C 93 65.968 65.968 70.399 -4.431 18292 10552 1 17 . 1 1 93 93 THR H H 93 6.528 6.528 7.627 -1.099 18292 10553 1 17 . 1 1 94 94 TYR N N 94 125.195 125.195 123.820 1.375 18292 10554 1 17 . 1 1 94 94 TYR HA H 94 3.515 3.515 4.071 -0.556 18292 10555 1 17 . 1 1 94 94 TYR C C 94 174.953 174.953 177.313 -2.360 18292 10556 1 17 . 1 1 94 94 TYR CA C 94 60.012 60.012 62.700 -2.688 18292 10557 1 17 . 1 1 94 94 TYR CB C 94 37.588 37.588 38.757 -1.169 18292 10558 1 17 . 1 1 94 94 TYR H H 94 8.263 8.263 8.755 -0.492 18292 10559 1 17 . 1 1 95 95 HIS N N 95 114.994 114.994 117.515 -2.521 18292 10560 1 17 . 1 1 95 95 HIS HA H 95 4.187 4.187 4.393 -0.206 18292 10561 1 17 . 1 1 95 95 HIS C C 95 173.780 173.780 177.337 -3.557 18292 10562 1 17 . 1 1 95 95 HIS CA C 95 53.471 53.471 60.561 -7.090 18292 10563 1 17 . 1 1 95 95 HIS CB C 95 26.528 26.528 29.583 -3.055 18292 10564 1 17 . 1 1 95 95 HIS H H 95 8.529 8.529 7.900 0.629 18292 10565 1 17 . 1 1 96 96 ASN N N 96 116.599 116.599 114.983 1.616 18292 10566 1 17 . 1 1 96 96 ASN HA H 96 4.315 4.315 4.487 -0.172 18292 10567 1 17 . 1 1 96 96 ASN C C 96 175.849 175.849 176.648 -0.799 18292 10568 1 17 . 1 1 96 96 ASN CA C 96 52.814 52.814 55.701 -2.887 18292 10569 1 17 . 1 1 96 96 ASN CB C 96 36.453 36.453 38.284 -1.831 18292 10570 1 17 . 1 1 96 96 ASN H H 96 7.343 7.343 8.328 -0.985 18292 10571 1 17 . 1 1 97 97 LEU N N 97 119.316 119.316 119.073 0.243 18292 10572 1 17 . 1 1 97 97 LEU HA H 97 3.406 3.406 3.756 -0.350 18292 10573 1 17 . 1 1 97 97 LEU CA C 97 54.399 54.399 56.746 -2.347 18292 10574 1 17 . 1 1 97 97 LEU CB C 97 39.614 39.614 41.791 -2.176 18292 10575 1 17 . 1 1 97 97 LEU H H 97 7.299 7.299 7.209 0.090 18292 10576 1 17 . 1 1 98 98 PHE N N 98 113.688 113.688 115.547 -1.859 18292 10577 1 17 . 1 1 98 98 PHE HA H 98 4.696 4.696 4.813 -0.117 18292 10578 1 17 . 1 1 98 98 PHE CA C 98 54.399 54.399 54.338 0.061 18292 10579 1 17 . 1 1 98 98 PHE CB C 98 35.380 35.380 38.348 -2.968 18292 10580 1 17 . 1 1 98 98 PHE H H 98 7.795 7.795 7.697 0.098 18292 10581 1 17 . 1 1 99 99 PRO HA H 99 4.430 4.430 4.545 -0.115 18292 10582 1 17 . 1 1 99 99 PRO C C 99 176.469 176.469 176.595 -0.126 18292 10583 1 17 . 1 1 99 99 PRO CA C 99 63.174 63.174 64.472 -1.298 18292 10584 1 17 . 1 1 99 99 PRO CB C 99 28.822 28.822 31.961 -3.139 18292 10585 1 17 . 1 1 100 100 ASP N N 100 115.482 115.482 117.035 -1.553 18292 10586 1 17 . 1 1 100 100 ASP HA H 100 4.306 4.306 4.596 -0.290 18292 10587 1 17 . 1 1 100 100 ASP C C 100 174.886 174.886 177.866 -2.980 18292 10588 1 17 . 1 1 100 100 ASP CA C 100 53.064 53.064 55.293 -2.229 18292 10589 1 17 . 1 1 100 100 ASP CB C 100 36.736 36.736 40.396 -3.660 18292 10590 1 17 . 1 1 100 100 ASP H H 100 8.897 8.897 8.082 0.815 18292 10591 1 17 . 1 1 101 101 SER N N 101 114.743 114.743 116.191 -1.448 18292 10592 1 17 . 1 1 101 101 SER HA H 101 3.876 3.876 3.938 -0.062 18292 10593 1 17 . 1 1 101 101 SER C C 101 173.539 173.539 175.646 -2.107 18292 10594 1 17 . 1 1 101 101 SER CA C 101 58.183 58.183 60.348 -2.165 18292 10595 1 17 . 1 1 101 101 SER CB C 101 61.403 61.403 62.681 -1.278 18292 10596 1 17 . 1 1 101 101 SER H H 101 8.057 8.057 7.551 0.506 18292 10597 1 17 . 1 1 102 102 MET N N 102 122.103 122.103 116.659 5.444 18292 10598 1 17 . 1 1 102 102 MET HA H 102 3.340 3.340 4.499 -1.159 18292 10599 1 17 . 1 1 102 102 MET C C 102 174.488 174.488 176.947 -2.459 18292 10600 1 17 . 1 1 102 102 MET CA C 102 56.606 56.606 58.031 -1.425 18292 10601 1 17 . 1 1 102 102 MET CB C 102 31.312 31.312 32.618 -1.306 18292 10602 1 17 . 1 1 102 102 MET H H 102 7.319 7.319 8.021 -0.702 18292 10603 1 17 . 1 1 103 103 THR N N 103 104.780 104.780 110.845 -6.065 18292 10604 1 17 . 1 1 103 103 THR HA H 103 4.318 4.318 4.370 -0.052 18292 10605 1 17 . 1 1 103 103 THR C C 103 171.121 171.121 175.397 -4.276 18292 10606 1 17 . 1 1 103 103 THR CA C 103 57.203 57.203 61.636 -4.433 18292 10607 1 17 . 1 1 103 103 THR CB C 103 65.753 65.753 69.325 -3.572 18292 10608 1 17 . 1 1 103 103 THR H H 103 7.216 7.216 7.674 -0.458 18292 10609 1 17 . 1 1 104 104 ALA N N 104 125.795 125.795 127.060 -1.265 18292 10610 1 17 . 1 1 104 104 ALA HA H 104 4.347 4.347 4.192 0.155 18292 10611 1 17 . 1 1 104 104 ALA C C 104 174.370 174.370 177.746 -3.376 18292 10612 1 17 . 1 1 104 104 ALA CA C 104 50.244 50.244 53.273 -3.029 18292 10613 1 17 . 1 1 104 104 ALA CB C 104 16.077 16.077 19.248 -3.171 18292 10614 1 17 . 1 1 104 104 ALA H H 104 6.605 6.605 7.504 -0.899 18292 10615 1 17 . 1 1 105 105 THR N N 105 111.482 111.482 113.770 -2.288 18292 10616 1 17 . 1 1 105 105 THR HA H 105 4.390 4.390 4.414 -0.024 18292 10617 1 17 . 1 1 105 105 THR C C 105 171.563 171.563 174.005 -2.442 18292 10618 1 17 . 1 1 105 105 THR CA C 105 58.977 58.977 62.175 -3.198 18292 10619 1 17 . 1 1 105 105 THR CB C 105 68.537 68.537 68.814 -0.276 18292 10620 1 17 . 1 1 105 105 THR H H 105 8.698 8.698 8.374 0.324 18292 10621 1 17 . 1 1 106 106 GLN N N 106 123.003 123.003 120.710 2.293 18292 10622 1 17 . 1 1 106 106 GLN HA H 106 4.294 4.294 4.573 -0.279 18292 10623 1 17 . 1 1 106 106 GLN C C 106 172.973 172.973 174.406 -1.433 18292 10624 1 17 . 1 1 106 106 GLN CA C 106 52.710 52.710 54.016 -1.306 18292 10625 1 17 . 1 1 106 106 GLN CB C 106 27.282 27.282 29.313 -2.031 18292 10626 1 17 . 1 1 106 106 GLN H H 106 7.944 7.944 7.837 0.107 18292 10627 1 17 . 1 1 107 107 LEU N N 107 124.765 124.765 126.569 -1.804 18292 10628 1 17 . 1 1 107 107 LEU HA H 107 4.328 4.328 4.421 -0.093 18292 10629 1 17 . 1 1 107 107 LEU C C 107 174.110 174.110 177.191 -3.081 18292 10630 1 17 . 1 1 107 107 LEU CA C 107 52.798 52.798 55.742 -2.944 18292 10631 1 17 . 1 1 107 107 LEU CB C 107 37.829 37.829 42.425 -4.596 18292 10632 1 17 . 1 1 107 107 LEU H H 107 8.390 8.390 8.698 -0.308 18292 10633 1 17 . 1 1 108 108 LEU N N 108 122.332 122.332 124.995 -2.663 18292 10634 1 17 . 1 1 108 108 LEU HA H 108 4.259 4.259 4.630 -0.371 18292 10635 1 17 . 1 1 108 108 LEU C C 108 173.870 173.870 175.358 -1.488 18292 10636 1 17 . 1 1 108 108 LEU CA C 108 52.092 52.092 54.616 -2.524 18292 10637 1 17 . 1 1 108 108 LEU CB C 108 39.253 39.253 42.899 -3.646 18292 10638 1 17 . 1 1 108 108 LEU H H 108 8.480 8.480 8.790 -0.310 18292 10639 1 17 . 1 1 109 109 VAL N N 109 115.421 115.421 114.172 1.249 18292 10640 1 17 . 1 1 109 109 VAL HA H 109 4.444 4.444 4.569 -0.125 18292 10641 1 17 . 1 1 109 109 VAL CA C 109 55.640 55.640 58.507 -2.867 18292 10642 1 17 . 1 1 109 109 VAL CB C 109 31.153 31.153 32.945 -1.792 18292 10643 1 17 . 1 1 109 109 VAL H H 109 8.007 8.007 8.059 -0.052 18292 10644 1 17 . 1 1 110 110 PRO HA H 110 4.361 4.361 4.879 -0.518 18292 10645 1 17 . 1 1 110 110 PRO C C 110 173.778 173.778 175.680 -1.902 18292 10646 1 17 . 1 1 110 110 PRO CA C 110 59.737 59.737 62.180 -2.443 18292 10647 1 17 . 1 1 110 110 PRO CB C 110 29.710 29.710 33.255 -3.545 18292 10648 1 17 . 1 1 111 111 SER N N 111 120.434 120.434 114.921 5.513 18292 10649 1 17 . 1 1 111 111 SER HA H 111 4.139 4.139 4.540 -0.401 18292 10650 1 17 . 1 1 111 111 SER C C 111 172.475 172.475 174.151 -1.676 18292 10651 1 17 . 1 1 111 111 SER CA C 111 57.674 57.674 58.662 -0.988 18292 10652 1 17 . 1 1 111 111 SER CB C 111 60.580 60.580 65.410 -4.830 18292 10653 1 17 . 1 1 111 111 SER H H 111 9.945 9.945 9.368 0.577 18292 10654 1 17 . 1 1 112 112 ARG N N 112 121.013 121.013 122.336 -1.323 18292 10655 1 17 . 1 1 112 112 ARG HA H 112 4.253 4.253 4.629 -0.376 18292 10656 1 17 . 1 1 112 112 ARG C C 112 172.216 172.216 173.815 -1.599 18292 10657 1 17 . 1 1 112 112 ARG CA C 112 53.071 53.071 55.783 -2.712 18292 10658 1 17 . 1 1 112 112 ARG CB C 112 27.963 27.963 32.578 -4.615 18292 10659 1 17 . 1 1 112 112 ARG H H 112 7.861 7.861 8.463 -0.602 18292 10660 1 18 . 1 1 2 2 GLN N N 2 125.719 125.719 124.427 1.292 18292 10661 1 18 . 1 1 2 2 GLN HA H 2 4.571 4.571 4.733 -0.162 18292 10662 1 18 . 1 1 2 2 GLN CA C 2 50.502 50.502 54.037 -3.535 18292 10663 1 18 . 1 1 2 2 GLN CB C 2 26.254 26.254 28.709 -2.455 18292 10664 1 18 . 1 1 2 2 GLN H H 2 8.471 8.471 8.369 0.102 18292 10665 1 18 . 1 1 3 3 PRO HA H 3 4.311 4.311 4.390 -0.079 18292 10666 1 18 . 1 1 3 3 PRO C C 3 173.634 173.634 176.692 -3.058 18292 10667 1 18 . 1 1 3 3 PRO CA C 3 60.349 60.349 62.569 -2.220 18292 10668 1 18 . 1 1 3 3 PRO CB C 3 29.678 29.678 31.327 -1.649 18292 10669 1 18 . 1 1 4 4 LEU N N 4 122.253 122.253 121.449 0.804 18292 10670 1 18 . 1 1 4 4 LEU HA H 4 4.133 4.133 4.202 -0.069 18292 10671 1 18 . 1 1 4 4 LEU C C 4 172.946 172.946 175.326 -2.380 18292 10672 1 18 . 1 1 4 4 LEU CA C 4 51.900 51.900 54.079 -2.179 18292 10673 1 18 . 1 1 4 4 LEU CB C 4 39.711 39.711 38.819 0.892 18292 10674 1 18 . 1 1 4 4 LEU H H 4 7.912 7.912 8.096 -0.184 18292 10675 1 18 . 1 1 5 5 ALA N N 5 122.619 122.619 121.171 1.448 18292 10676 1 18 . 1 1 5 5 ALA HA H 5 2.385 2.385 3.878 -1.493 18292 10677 1 18 . 1 1 5 5 ALA C C 5 174.164 174.164 177.188 -3.024 18292 10678 1 18 . 1 1 5 5 ALA CA C 5 49.205 49.205 51.059 -1.854 18292 10679 1 18 . 1 1 5 5 ALA CB C 5 17.058 17.058 19.885 -2.827 18292 10680 1 18 . 1 1 5 5 ALA H H 5 7.415 7.415 7.744 -0.329 18292 10681 1 18 . 1 1 6 6 THR N N 6 112.768 112.768 112.117 0.651 18292 10682 1 18 . 1 1 6 6 THR HA H 6 4.393 4.393 4.394 -0.001 18292 10683 1 18 . 1 1 6 6 THR C C 6 168.908 168.908 175.651 -6.743 18292 10684 1 18 . 1 1 6 6 THR CA C 6 56.371 56.371 60.262 -3.891 18292 10685 1 18 . 1 1 6 6 THR CB C 6 68.874 68.874 70.224 -1.349 18292 10686 1 18 . 1 1 6 6 THR H H 6 6.601 6.601 7.614 -1.013 18292 10687 1 18 . 1 1 7 7 GLN N N 7 111.707 111.707 118.869 -7.162 18292 10688 1 18 . 1 1 7 7 GLN HA H 7 4.344 4.344 4.330 0.014 18292 10689 1 18 . 1 1 7 7 GLN C C 7 171.068 171.068 174.544 -3.476 18292 10690 1 18 . 1 1 7 7 GLN CA C 7 53.795 53.795 56.576 -2.781 18292 10691 1 18 . 1 1 7 7 GLN CB C 7 28.252 28.252 27.194 1.058 18292 10692 1 18 . 1 1 7 7 GLN H H 7 8.547 8.547 8.646 -0.099 18292 10693 1 18 . 1 1 8 8 CYS N N 8 118.669 118.669 117.017 1.652 18292 10694 1 18 . 1 1 8 8 CYS HA H 8 5.389 5.389 5.016 0.373 18292 10695 1 18 . 1 1 8 8 CYS C C 8 171.026 171.026 173.491 -2.465 18292 10696 1 18 . 1 1 8 8 CYS CA C 8 53.652 53.652 57.007 -3.355 18292 10697 1 18 . 1 1 8 8 CYS CB C 8 29.416 29.416 31.153 -1.737 18292 10698 1 18 . 1 1 8 8 CYS H H 8 8.558 8.558 7.370 1.188 18292 10699 1 18 . 1 1 9 9 PHE N N 9 117.117 117.117 119.682 -2.565 18292 10700 1 18 . 1 1 9 9 PHE HA H 9 5.369 5.369 5.305 0.064 18292 10701 1 18 . 1 1 9 9 PHE C C 9 168.313 168.313 172.536 -4.223 18292 10702 1 18 . 1 1 9 9 PHE CA C 9 53.341 53.341 55.818 -2.477 18292 10703 1 18 . 1 1 9 9 PHE CB C 9 39.008 39.008 41.613 -2.605 18292 10704 1 18 . 1 1 9 9 PHE H H 9 9.533 9.533 8.829 0.704 18292 10705 1 18 . 1 1 10 10 GLN N N 10 118.344 118.344 116.554 1.790 18292 10706 1 18 . 1 1 10 10 GLN HA H 10 5.063 5.063 5.124 -0.061 18292 10707 1 18 . 1 1 10 10 GLN C C 10 173.280 173.280 174.273 -0.993 18292 10708 1 18 . 1 1 10 10 GLN CA C 10 50.242 50.242 53.583 -3.341 18292 10709 1 18 . 1 1 10 10 GLN CB C 10 30.263 30.263 32.532 -2.269 18292 10710 1 18 . 1 1 10 10 GLN H H 10 9.299 9.299 8.982 0.317 18292 10711 1 18 . 1 1 11 11 LEU N N 11 128.664 128.664 118.741 9.923 18292 10712 1 18 . 1 1 11 11 LEU HA H 11 5.474 5.474 5.009 0.465 18292 10713 1 18 . 1 1 11 11 LEU C C 11 173.987 173.987 177.463 -3.476 18292 10714 1 18 . 1 1 11 11 LEU CA C 11 50.153 50.153 53.374 -3.221 18292 10715 1 18 . 1 1 11 11 LEU CB C 11 41.779 41.779 44.597 -2.818 18292 10716 1 18 . 1 1 11 11 LEU H H 11 9.679 9.679 8.111 1.568 18292 10717 1 18 . 1 1 12 12 SER N N 12 115.661 115.661 113.508 2.153 18292 10718 1 18 . 1 1 12 12 SER HA H 12 4.877 4.877 4.788 0.089 18292 10719 1 18 . 1 1 12 12 SER C C 12 170.086 170.086 173.145 -3.059 18292 10720 1 18 . 1 1 12 12 SER CA C 12 54.698 54.698 57.798 -3.100 18292 10721 1 18 . 1 1 12 12 SER CB C 12 63.054 63.054 64.257 -1.203 18292 10722 1 18 . 1 1 12 12 SER H H 12 8.717 8.717 8.418 0.299 18292 10723 1 18 . 1 1 13 13 ASN N N 13 114.812 114.812 118.724 -3.912 18292 10724 1 18 . 1 1 13 13 ASN HA H 13 4.165 4.165 4.573 -0.408 18292 10725 1 18 . 1 1 13 13 ASN C C 13 171.867 171.867 173.270 -1.403 18292 10726 1 18 . 1 1 13 13 ASN CA C 13 51.269 51.269 53.435 -2.166 18292 10727 1 18 . 1 1 13 13 ASN CB C 13 34.988 34.988 38.818 -3.830 18292 10728 1 18 . 1 1 13 13 ASN H H 13 8.563 8.563 7.731 0.832 18292 10729 1 18 . 1 1 14 14 MET N N 14 113.100 113.100 117.968 -4.868 18292 10730 1 18 . 1 1 14 14 MET HA H 14 4.258 4.258 4.341 -0.083 18292 10731 1 18 . 1 1 14 14 MET C C 14 171.935 171.935 175.048 -3.113 18292 10732 1 18 . 1 1 14 14 MET CA C 14 53.020 53.020 54.607 -1.587 18292 10733 1 18 . 1 1 14 14 MET CB C 14 29.746 29.746 34.094 -4.348 18292 10734 1 18 . 1 1 14 14 MET H H 14 8.261 8.261 7.473 0.788 18292 10735 1 18 . 1 1 15 15 PHE N N 15 108.769 108.769 113.337 -4.568 18292 10736 1 18 . 1 1 15 15 PHE HA H 15 4.485 4.485 4.750 -0.265 18292 10737 1 18 . 1 1 15 15 PHE C C 15 170.024 170.024 173.267 -3.243 18292 10738 1 18 . 1 1 15 15 PHE CA C 15 53.080 53.080 56.593 -3.513 18292 10739 1 18 . 1 1 15 15 PHE CB C 15 36.300 36.300 40.368 -4.068 18292 10740 1 18 . 1 1 15 15 PHE H H 15 6.804 6.804 7.037 -0.233 18292 10741 1 18 . 1 1 16 16 ASN N N 16 117.922 117.922 117.395 0.527 18292 10742 1 18 . 1 1 16 16 ASN HA H 16 4.932 4.932 5.135 -0.203 18292 10743 1 18 . 1 1 16 16 ASN CA C 16 47.510 47.510 51.044 -3.534 18292 10744 1 18 . 1 1 16 16 ASN CB C 16 36.512 36.512 40.716 -4.204 18292 10745 1 18 . 1 1 16 16 ASN H H 16 8.681 8.681 8.422 0.259 18292 10746 1 18 . 1 1 17 17 PRO HA H 17 4.102 4.102 4.381 -0.279 18292 10747 1 18 . 1 1 17 17 PRO C C 17 174.773 174.773 176.331 -1.558 18292 10748 1 18 . 1 1 17 17 PRO CA C 17 61.933 61.933 64.739 -2.806 18292 10749 1 18 . 1 1 17 17 PRO CB C 17 29.557 29.557 32.029 -2.472 18292 10750 1 18 . 1 1 18 18 GLN N N 18 116.462 116.462 115.717 0.745 18292 10751 1 18 . 1 1 18 18 GLN HA H 18 4.146 4.146 4.418 -0.272 18292 10752 1 18 . 1 1 18 18 GLN C C 18 174.423 174.423 176.021 -1.598 18292 10753 1 18 . 1 1 18 18 GLN CA C 18 54.067 54.067 55.481 -1.414 18292 10754 1 18 . 1 1 18 18 GLN CB C 18 26.326 26.326 30.143 -3.817 18292 10755 1 18 . 1 1 18 18 GLN H H 18 7.934 7.934 7.988 -0.054 18292 10756 1 18 . 1 1 19 19 THR N N 19 112.362 112.362 112.112 0.250 18292 10757 1 18 . 1 1 19 19 THR HA H 19 4.176 4.176 4.381 -0.205 18292 10758 1 18 . 1 1 19 19 THR C C 19 171.908 171.908 173.927 -2.019 18292 10759 1 18 . 1 1 19 19 THR CA C 19 59.509 59.509 61.832 -2.323 18292 10760 1 18 . 1 1 19 19 THR CB C 19 66.360 66.360 68.963 -2.603 18292 10761 1 18 . 1 1 19 19 THR H H 19 7.723 7.723 7.552 0.171 18292 10762 1 18 . 1 1 20 20 GLU N N 20 120.326 120.326 119.746 0.580 18292 10763 1 18 . 1 1 20 20 GLU HA H 20 3.658 3.658 3.832 -0.174 18292 10764 1 18 . 1 1 20 20 GLU C C 20 173.311 173.311 175.870 -2.559 18292 10765 1 18 . 1 1 20 20 GLU CA C 20 53.164 53.164 54.662 -1.498 18292 10766 1 18 . 1 1 20 20 GLU CB C 20 25.837 25.837 28.509 -2.672 18292 10767 1 18 . 1 1 20 20 GLU H H 20 7.312 7.312 7.515 -0.203 18292 10768 1 18 . 1 1 21 21 GLU N N 21 120.796 120.796 118.594 2.202 18292 10769 1 18 . 1 1 21 21 GLU HA H 21 4.162 4.162 4.173 -0.011 18292 10770 1 18 . 1 1 21 21 GLU C C 21 173.747 173.747 175.970 -2.223 18292 10771 1 18 . 1 1 21 21 GLU CA C 21 53.873 53.873 57.137 -3.264 18292 10772 1 18 . 1 1 21 21 GLU CB C 21 28.445 28.445 29.433 -0.988 18292 10773 1 18 . 1 1 21 21 GLU H H 21 8.011 8.011 8.555 -0.544 18292 10774 1 18 . 1 1 22 22 GLU N N 22 121.370 121.370 117.531 3.839 18292 10775 1 18 . 1 1 22 22 GLU HA H 22 4.393 4.393 4.500 -0.107 18292 10776 1 18 . 1 1 22 22 GLU C C 22 173.536 173.536 174.756 -1.220 18292 10777 1 18 . 1 1 22 22 GLU CA C 22 52.982 52.982 55.102 -2.120 18292 10778 1 18 . 1 1 22 22 GLU CB C 22 28.012 28.012 31.552 -3.540 18292 10779 1 18 . 1 1 22 22 GLU H H 22 8.039 8.039 7.736 0.303 18292 10780 1 18 . 1 1 23 23 VAL N N 23 123.340 123.340 121.103 2.237 18292 10781 1 18 . 1 1 23 23 VAL HA H 23 3.901 3.901 4.252 -0.351 18292 10782 1 18 . 1 1 23 23 VAL C C 23 175.077 175.077 177.475 -2.398 18292 10783 1 18 . 1 1 23 23 VAL CA C 23 61.540 61.540 63.572 -2.032 18292 10784 1 18 . 1 1 23 23 VAL CB C 23 29.361 29.361 31.833 -2.472 18292 10785 1 18 . 1 1 23 23 VAL H H 23 8.447 8.447 8.593 -0.146 18292 10786 1 18 . 1 1 24 24 GLY N N 24 114.476 114.476 115.036 -0.560 18292 10787 1 18 . 1 1 24 24 GLY C C 24 173.717 173.717 175.774 -2.057 18292 10788 1 18 . 1 1 24 24 GLY CA C 24 42.667 42.667 44.972 -2.305 18292 10789 1 18 . 1 1 24 24 GLY H H 24 9.087 9.087 8.761 0.326 18292 10790 1 18 . 1 1 25 25 TRP N N 25 121.382 121.382 120.977 0.405 18292 10791 1 18 . 1 1 25 25 TRP HA H 25 4.214 4.214 4.325 -0.111 18292 10792 1 18 . 1 1 25 25 TRP C C 25 174.056 174.056 175.781 -1.725 18292 10793 1 18 . 1 1 25 25 TRP CA C 25 56.093 56.093 58.449 -2.356 18292 10794 1 18 . 1 1 25 25 TRP CB C 25 25.016 25.016 28.244 -3.228 18292 10795 1 18 . 1 1 26 26 ASP N N 26 118.789 118.789 119.749 -0.960 18292 10796 1 18 . 1 1 26 26 ASP HA H 26 3.261 3.261 4.169 -0.908 18292 10797 1 18 . 1 1 26 26 ASP C C 26 174.709 174.709 178.043 -3.334 18292 10798 1 18 . 1 1 26 26 ASP CA C 26 52.705 52.705 56.594 -3.889 18292 10799 1 18 . 1 1 26 26 ASP CB C 26 34.503 34.503 39.387 -4.884 18292 10800 1 18 . 1 1 26 26 ASP H H 26 7.939 7.939 7.966 -0.027 18292 10801 1 18 . 1 1 27 27 THR N N 27 118.934 118.934 115.980 2.954 18292 10802 1 18 . 1 1 27 27 THR HA H 27 3.552 3.552 3.964 -0.412 18292 10803 1 18 . 1 1 27 27 THR C C 27 172.390 172.390 176.836 -4.446 18292 10804 1 18 . 1 1 27 27 THR CA C 27 63.307 63.307 66.258 -2.951 18292 10805 1 18 . 1 1 27 27 THR CB C 27 65.331 65.331 68.734 -3.404 18292 10806 1 18 . 1 1 27 27 THR H H 27 7.103 7.103 8.259 -1.156 18292 10807 1 18 . 1 1 28 28 GLU N N 28 120.484 120.484 121.464 -0.980 18292 10808 1 18 . 1 1 28 28 GLU HA H 28 3.978 3.978 4.268 -0.290 18292 10809 1 18 . 1 1 28 28 GLU C C 28 175.447 175.447 178.564 -3.117 18292 10810 1 18 . 1 1 28 28 GLU CA C 28 56.760 56.760 58.596 -1.836 18292 10811 1 18 . 1 1 28 28 GLU CB C 28 26.418 26.418 29.631 -3.212 18292 10812 1 18 . 1 1 28 28 GLU H H 28 7.473 7.473 7.665 -0.192 18292 10813 1 18 . 1 1 29 29 ILE N N 29 116.961 116.961 120.556 -3.595 18292 10814 1 18 . 1 1 29 29 ILE HA H 29 3.773 3.773 3.808 -0.035 18292 10815 1 18 . 1 1 29 29 ILE C C 29 174.605 174.605 177.911 -3.306 18292 10816 1 18 . 1 1 29 29 ILE CA C 29 61.243 61.243 65.422 -4.179 18292 10817 1 18 . 1 1 29 29 ILE CB C 29 35.267 35.267 37.873 -2.606 18292 10818 1 18 . 1 1 29 29 ILE H H 29 7.113 7.113 7.461 -0.348 18292 10819 1 18 . 1 1 30 30 LYS N N 30 118.457 118.457 120.001 -1.544 18292 10820 1 18 . 1 1 30 30 LYS HA H 30 3.430 3.430 3.920 -0.490 18292 10821 1 18 . 1 1 30 30 LYS C C 30 174.886 174.886 178.379 -3.493 18292 10822 1 18 . 1 1 30 30 LYS CA C 30 57.872 57.872 59.904 -2.032 18292 10823 1 18 . 1 1 30 30 LYS CB C 30 29.680 29.680 32.065 -2.385 18292 10824 1 18 . 1 1 30 30 LYS H H 30 7.480 7.480 8.166 -0.686 18292 10825 1 18 . 1 1 31 31 ASP N N 31 118.630 118.630 119.509 -0.879 18292 10826 1 18 . 1 1 31 31 ASP HA H 31 4.233 4.233 4.332 -0.099 18292 10827 1 18 . 1 1 31 31 ASP C C 31 175.558 175.558 177.808 -2.250 18292 10828 1 18 . 1 1 31 31 ASP CA C 31 55.137 55.137 57.695 -2.558 18292 10829 1 18 . 1 1 31 31 ASP CB C 31 36.829 36.829 40.638 -3.809 18292 10830 1 18 . 1 1 31 31 ASP H H 31 8.334 8.334 7.617 0.717 18292 10831 1 18 . 1 1 32 32 ASP N N 32 120.576 120.576 119.476 1.100 18292 10832 1 18 . 1 1 32 32 ASP HA H 32 4.277 4.277 4.540 -0.263 18292 10833 1 18 . 1 1 32 32 ASP C C 32 176.966 176.966 179.011 -2.045 18292 10834 1 18 . 1 1 32 32 ASP CA C 32 54.829 54.829 57.461 -2.632 18292 10835 1 18 . 1 1 32 32 ASP CB C 32 37.331 37.331 41.155 -3.824 18292 10836 1 18 . 1 1 32 32 ASP H H 32 8.189 8.189 7.819 0.370 18292 10837 1 18 . 1 1 33 33 VAL N N 33 121.083 121.083 119.171 1.912 18292 10838 1 18 . 1 1 33 33 VAL HA H 33 3.444 3.444 3.867 -0.423 18292 10839 1 18 . 1 1 33 33 VAL C C 33 175.529 175.529 178.170 -2.641 18292 10840 1 18 . 1 1 33 33 VAL CA C 33 64.511 64.511 65.566 -1.055 18292 10841 1 18 . 1 1 33 33 VAL CB C 33 28.920 28.920 31.947 -3.027 18292 10842 1 18 . 1 1 33 33 VAL H H 33 8.069 8.069 7.513 0.556 18292 10843 1 18 . 1 1 34 34 ILE N N 34 122.145 122.145 121.464 0.681 18292 10844 1 18 . 1 1 34 34 ILE HA H 34 3.272 3.272 3.788 -0.516 18292 10845 1 18 . 1 1 34 34 ILE C C 34 174.723 174.723 178.108 -3.385 18292 10846 1 18 . 1 1 34 34 ILE CA C 34 63.723 63.723 65.155 -1.432 18292 10847 1 18 . 1 1 34 34 ILE CB C 34 35.949 35.949 37.797 -1.848 18292 10848 1 18 . 1 1 34 34 ILE H H 34 8.887 8.887 7.661 1.226 18292 10849 1 18 . 1 1 35 35 GLU N N 35 117.927 117.927 119.746 -1.819 18292 10850 1 18 . 1 1 35 35 GLU HA H 35 3.830 3.830 3.912 -0.082 18292 10851 1 18 . 1 1 35 35 GLU C C 35 176.747 176.747 178.621 -1.874 18292 10852 1 18 . 1 1 35 35 GLU CA C 35 57.183 57.183 59.932 -2.749 18292 10853 1 18 . 1 1 35 35 GLU CB C 35 26.969 26.969 29.531 -2.562 18292 10854 1 18 . 1 1 35 35 GLU H H 35 8.565 8.565 8.326 0.239 18292 10855 1 18 . 1 1 36 36 GLU N N 36 117.299 117.299 118.241 -0.942 18292 10856 1 18 . 1 1 36 36 GLU HA H 36 4.012 4.012 4.194 -0.182 18292 10857 1 18 . 1 1 36 36 GLU C C 36 176.604 176.604 179.474 -2.870 18292 10858 1 18 . 1 1 36 36 GLU CA C 36 56.357 56.357 59.263 -2.906 18292 10859 1 18 . 1 1 36 36 GLU CB C 36 26.612 26.612 30.013 -3.401 18292 10860 1 18 . 1 1 36 36 GLU H H 36 7.523 7.523 7.752 -0.229 18292 10861 1 18 . 1 1 37 37 CYS N N 37 116.308 116.308 117.743 -1.435 18292 10862 1 18 . 1 1 37 37 CYS HA H 37 4.141 4.141 4.246 -0.105 18292 10863 1 18 . 1 1 37 37 CYS C C 37 175.888 175.888 176.532 -0.644 18292 10864 1 18 . 1 1 37 37 CYS CA C 37 61.915 61.915 60.715 1.200 18292 10865 1 18 . 1 1 37 37 CYS CB C 37 24.513 24.513 27.953 -3.440 18292 10866 1 18 . 1 1 37 37 CYS H H 37 8.754 8.754 7.966 0.788 18292 10867 1 18 . 1 1 38 38 ASN N N 38 121.598 121.598 118.110 3.488 18292 10868 1 18 . 1 1 38 38 ASN HA H 38 4.452 4.452 4.421 0.031 18292 10869 1 18 . 1 1 38 38 ASN C C 38 174.340 174.340 176.427 -2.087 18292 10870 1 18 . 1 1 38 38 ASN CA C 38 52.249 52.249 55.298 -3.049 18292 10871 1 18 . 1 1 38 38 ASN CB C 38 34.488 34.488 38.082 -3.594 18292 10872 1 18 . 1 1 38 38 ASN H H 38 8.800 8.800 7.928 0.872 18292 10873 1 18 . 1 1 39 39 LYS N N 39 119.297 119.297 118.473 0.824 18292 10874 1 18 . 1 1 39 39 LYS HA H 39 4.002 4.002 4.084 -0.082 18292 10875 1 18 . 1 1 39 39 LYS C C 39 174.388 174.388 177.980 -3.592 18292 10876 1 18 . 1 1 39 39 LYS CA C 39 55.239 55.239 58.431 -3.192 18292 10877 1 18 . 1 1 39 39 LYS CB C 39 29.477 29.477 32.653 -3.176 18292 10878 1 18 . 1 1 39 39 LYS H H 39 7.427 7.427 7.611 -0.184 18292 10879 1 18 . 1 1 40 40 HIS N N 40 114.421 114.421 114.686 -0.265 18292 10880 1 18 . 1 1 40 40 HIS HA H 40 4.896 4.896 4.710 0.186 18292 10881 1 18 . 1 1 40 40 HIS C C 40 171.895 171.895 176.614 -4.719 18292 10882 1 18 . 1 1 40 40 HIS CA C 40 51.758 51.758 56.447 -4.689 18292 10883 1 18 . 1 1 40 40 HIS CB C 40 28.775 28.775 30.768 -1.993 18292 10884 1 18 . 1 1 40 40 HIS H H 40 7.453 7.453 7.557 -0.104 18292 10885 1 18 . 1 1 41 41 GLY N N 41 106.587 106.587 103.346 3.241 18292 10886 1 18 . 1 1 41 41 GLY C C 41 171.376 171.376 174.148 -2.772 18292 10887 1 18 . 1 1 41 41 GLY CA C 41 42.388 42.388 44.783 -2.395 18292 10888 1 18 . 1 1 41 41 GLY H H 41 7.599 7.599 7.843 -0.244 18292 10889 1 18 . 1 1 42 42 GLY N N 42 107.066 107.066 109.264 -2.198 18292 10890 1 18 . 1 1 42 42 GLY C C 42 169.120 169.120 172.292 -3.172 18292 10891 1 18 . 1 1 42 42 GLY CA C 42 41.518 41.518 44.775 -3.257 18292 10892 1 18 . 1 1 42 42 GLY H H 42 7.942 7.942 7.627 0.315 18292 10893 1 18 . 1 1 43 43 VAL N N 43 114.640 114.640 119.696 -5.056 18292 10894 1 18 . 1 1 43 43 VAL HA H 43 4.527 4.527 4.561 -0.034 18292 10895 1 18 . 1 1 43 43 VAL C C 43 169.861 169.861 174.562 -4.701 18292 10896 1 18 . 1 1 43 43 VAL CA C 43 58.404 58.404 59.416 -1.012 18292 10897 1 18 . 1 1 43 43 VAL CB C 43 31.692 31.692 34.592 -2.900 18292 10898 1 18 . 1 1 43 43 VAL H H 43 8.679 8.679 8.350 0.330 18292 10899 1 18 . 1 1 44 44 ILE N N 44 115.792 115.792 120.517 -4.725 18292 10900 1 18 . 1 1 44 44 ILE HA H 44 4.918 4.918 5.072 -0.154 18292 10901 1 18 . 1 1 44 44 ILE C C 44 172.246 172.246 174.351 -2.105 18292 10902 1 18 . 1 1 44 44 ILE CA C 44 57.770 57.770 60.364 -2.594 18292 10903 1 18 . 1 1 44 44 ILE CB C 44 37.197 37.197 39.614 -2.417 18292 10904 1 18 . 1 1 44 44 ILE H H 44 8.587 8.587 8.745 -0.158 18292 10905 1 18 . 1 1 45 45 HIS N N 45 122.684 122.684 117.036 5.648 18292 10906 1 18 . 1 1 45 45 HIS HA H 45 4.426 4.426 4.801 -0.375 18292 10907 1 18 . 1 1 45 45 HIS C C 45 168.452 168.452 172.956 -4.504 18292 10908 1 18 . 1 1 45 45 HIS CA C 45 55.548 55.548 56.386 -0.838 18292 10909 1 18 . 1 1 45 45 HIS CB C 45 31.632 31.632 34.370 -2.738 18292 10910 1 18 . 1 1 45 45 HIS H H 45 7.791 7.791 7.704 0.087 18292 10911 1 18 . 1 1 46 46 ILE N N 46 123.917 123.917 124.769 -0.852 18292 10912 1 18 . 1 1 46 46 ILE HA H 46 5.120 5.120 4.884 0.236 18292 10913 1 18 . 1 1 46 46 ILE C C 46 170.171 170.171 173.587 -3.416 18292 10914 1 18 . 1 1 46 46 ILE CA C 46 56.063 56.063 60.349 -4.286 18292 10915 1 18 . 1 1 46 46 ILE CB C 46 39.753 39.753 42.251 -2.498 18292 10916 1 18 . 1 1 46 46 ILE H H 46 7.391 7.391 8.415 -1.024 18292 10917 1 18 . 1 1 47 47 TYR N N 47 125.750 125.750 129.057 -3.307 18292 10918 1 18 . 1 1 47 47 TYR HA H 47 4.370 4.370 4.713 -0.343 18292 10919 1 18 . 1 1 47 47 TYR C C 47 171.029 171.029 173.012 -1.983 18292 10920 1 18 . 1 1 47 47 TYR CA C 47 54.800 54.800 57.801 -3.001 18292 10921 1 18 . 1 1 47 47 TYR CB C 47 39.851 39.851 40.704 -0.853 18292 10922 1 18 . 1 1 47 47 TYR H H 47 9.055 9.055 8.797 0.258 18292 10923 1 18 . 1 1 48 48 VAL N N 48 129.720 129.720 129.142 0.578 18292 10924 1 18 . 1 1 48 48 VAL HA H 48 3.869 3.869 3.960 -0.091 18292 10925 1 18 . 1 1 48 48 VAL C C 48 170.949 170.949 173.992 -3.043 18292 10926 1 18 . 1 1 48 48 VAL CA C 48 59.328 59.328 61.860 -2.532 18292 10927 1 18 . 1 1 48 48 VAL CB C 48 29.022 29.022 32.311 -3.289 18292 10928 1 18 . 1 1 48 48 VAL H H 48 8.290 8.290 8.490 -0.200 18292 10929 1 18 . 1 1 49 49 ASP N N 49 125.287 125.287 129.238 -3.951 18292 10930 1 18 . 1 1 49 49 ASP HA H 49 4.703 4.703 4.553 0.150 18292 10931 1 18 . 1 1 49 49 ASP C C 49 173.851 173.851 176.650 -2.799 18292 10932 1 18 . 1 1 49 49 ASP CA C 49 50.349 50.349 51.806 -1.457 18292 10933 1 18 . 1 1 49 49 ASP CB C 49 38.139 38.139 40.852 -2.713 18292 10934 1 18 . 1 1 49 49 ASP H H 49 8.274 8.274 7.744 0.530 18292 10935 1 18 . 1 1 50 50 LYS N N 50 125.099 125.099 124.936 0.163 18292 10936 1 18 . 1 1 50 50 LYS HA H 50 4.096 4.096 3.658 0.438 18292 10937 1 18 . 1 1 50 50 LYS C C 50 173.120 173.120 177.570 -4.450 18292 10938 1 18 . 1 1 50 50 LYS CA C 50 56.284 56.284 58.807 -2.523 18292 10939 1 18 . 1 1 50 50 LYS CB C 50 29.763 29.763 31.592 -1.829 18292 10940 1 18 . 1 1 50 50 LYS H H 50 8.090 8.090 7.878 0.212 18292 10941 1 18 . 1 1 51 51 ASN N N 51 114.422 114.422 118.278 -3.856 18292 10942 1 18 . 1 1 51 51 ASN HA H 51 4.931 4.931 4.851 0.080 18292 10943 1 18 . 1 1 51 51 ASN C C 51 172.685 172.685 175.532 -2.847 18292 10944 1 18 . 1 1 51 51 ASN CA C 51 50.744 50.744 53.381 -2.637 18292 10945 1 18 . 1 1 51 51 ASN CB C 51 37.036 37.036 39.156 -2.119 18292 10946 1 18 . 1 1 51 51 ASN H H 51 8.272 8.272 8.410 -0.138 18292 10947 1 18 . 1 1 52 52 SER N N 52 115.013 115.013 114.748 0.265 18292 10948 1 18 . 1 1 52 52 SER HA H 52 4.410 4.410 4.399 0.011 18292 10949 1 18 . 1 1 52 52 SER C C 52 172.628 172.628 174.012 -1.384 18292 10950 1 18 . 1 1 52 52 SER CA C 52 55.035 55.035 59.506 -4.471 18292 10951 1 18 . 1 1 52 52 SER CB C 52 61.604 61.604 64.229 -2.625 18292 10952 1 18 . 1 1 52 52 SER H H 52 7.920 7.920 7.869 0.051 18292 10953 1 18 . 1 1 53 53 ALA N N 53 129.163 129.163 123.553 5.610 18292 10954 1 18 . 1 1 53 53 ALA HA H 53 4.088 4.088 4.522 -0.434 18292 10955 1 18 . 1 1 53 53 ALA C C 53 175.951 175.951 177.597 -1.646 18292 10956 1 18 . 1 1 53 53 ALA CA C 53 51.409 51.409 52.920 -1.511 18292 10957 1 18 . 1 1 53 53 ALA CB C 53 15.878 15.878 20.266 -4.388 18292 10958 1 18 . 1 1 53 53 ALA H H 53 8.837 8.837 8.802 0.035 18292 10959 1 18 . 1 1 54 54 GLN N N 54 113.081 113.081 119.751 -6.670 18292 10960 1 18 . 1 1 54 54 GLN HA H 54 4.202 4.202 4.369 -0.167 18292 10961 1 18 . 1 1 54 54 GLN C C 54 173.388 173.388 175.182 -1.794 18292 10962 1 18 . 1 1 54 54 GLN CA C 54 52.993 52.993 54.372 -1.379 18292 10963 1 18 . 1 1 54 54 GLN CB C 54 26.360 26.360 28.977 -2.618 18292 10964 1 18 . 1 1 54 54 GLN H H 54 7.836 7.836 7.601 0.235 18292 10965 1 18 . 1 1 55 55 GLY N N 55 108.967 108.967 107.583 1.384 18292 10966 1 18 . 1 1 55 55 GLY CA C 55 45.087 45.087 44.731 0.356 18292 10967 1 18 . 1 1 55 55 GLY H H 55 7.191 7.191 8.385 -1.194 18292 10968 1 18 . 1 1 56 56 ASN N N 56 114.505 114.505 118.082 -3.577 18292 10969 1 18 . 1 1 56 56 ASN HA H 56 5.520 5.520 4.954 0.566 18292 10970 1 18 . 1 1 56 56 ASN C C 56 172.166 172.166 174.220 -2.054 18292 10971 1 18 . 1 1 56 56 ASN CA C 56 50.462 50.462 54.022 -3.559 18292 10972 1 18 . 1 1 56 56 ASN CB C 56 38.400 38.400 39.865 -1.465 18292 10973 1 18 . 1 1 56 56 ASN H H 56 7.614 7.614 7.917 -0.303 18292 10974 1 18 . 1 1 57 57 VAL N N 57 119.859 119.859 120.505 -0.646 18292 10975 1 18 . 1 1 57 57 VAL HA H 57 4.692 4.692 4.501 0.191 18292 10976 1 18 . 1 1 57 57 VAL C C 57 170.667 170.667 173.822 -3.155 18292 10977 1 18 . 1 1 57 57 VAL CA C 57 58.163 58.163 59.709 -1.546 18292 10978 1 18 . 1 1 57 57 VAL CB C 57 33.663 33.663 35.741 -2.078 18292 10979 1 18 . 1 1 57 57 VAL H H 57 8.354 8.354 7.606 0.748 18292 10980 1 18 . 1 1 58 58 TYR N N 58 128.478 128.478 125.951 2.527 18292 10981 1 18 . 1 1 58 58 TYR HA H 58 4.937 4.937 4.585 0.352 18292 10982 1 18 . 1 1 58 58 TYR C C 58 170.605 170.605 174.456 -3.851 18292 10983 1 18 . 1 1 58 58 TYR CA C 58 55.354 55.354 57.779 -2.425 18292 10984 1 18 . 1 1 58 58 TYR CB C 58 37.775 37.775 40.746 -2.971 18292 10985 1 18 . 1 1 58 58 TYR H H 58 9.275 9.275 8.889 0.386 18292 10986 1 18 . 1 1 59 59 VAL N N 59 123.117 123.117 120.197 2.920 18292 10987 1 18 . 1 1 59 59 VAL HA H 59 4.462 4.462 4.724 -0.262 18292 10988 1 18 . 1 1 59 59 VAL C C 59 170.875 170.875 174.074 -3.199 18292 10989 1 18 . 1 1 59 59 VAL CA C 59 58.527 58.527 60.132 -1.605 18292 10990 1 18 . 1 1 59 59 VAL CB C 59 32.611 32.611 36.141 -3.530 18292 10991 1 18 . 1 1 59 59 VAL H H 59 8.860 8.860 8.777 0.083 18292 10992 1 18 . 1 1 60 60 LYS N N 60 123.266 123.266 124.357 -1.091 18292 10993 1 18 . 1 1 60 60 LYS HA H 60 4.745 4.745 4.827 -0.082 18292 10994 1 18 . 1 1 60 60 LYS C C 60 173.399 173.399 175.280 -1.881 18292 10995 1 18 . 1 1 60 60 LYS CA C 60 52.207 52.207 55.166 -2.959 18292 10996 1 18 . 1 1 60 60 LYS CB C 60 34.244 34.244 35.636 -1.393 18292 10997 1 18 . 1 1 60 60 LYS H H 60 8.668 8.668 8.574 0.094 18292 10998 1 18 . 1 1 61 61 CYS N N 61 125.267 125.267 126.925 -1.658 18292 10999 1 18 . 1 1 61 61 CYS HA H 61 4.740 4.740 4.862 -0.122 18292 11000 1 18 . 1 1 61 61 CYS CA C 61 56.393 56.393 57.464 -1.071 18292 11001 1 18 . 1 1 61 61 CYS CB C 61 27.416 27.416 28.663 -1.247 18292 11002 1 18 . 1 1 61 61 CYS H H 61 9.207 9.207 8.988 0.219 18292 11003 1 18 . 1 1 62 62 PRO HA H 62 4.266 4.266 4.354 -0.088 18292 11004 1 18 . 1 1 62 62 PRO C C 62 171.443 171.443 176.181 -4.738 18292 11005 1 18 . 1 1 62 62 PRO CA C 62 61.167 61.167 64.444 -3.276 18292 11006 1 18 . 1 1 62 62 PRO CB C 62 29.450 29.450 32.478 -3.028 18292 11007 1 18 . 1 1 63 63 SER N N 63 108.558 108.558 110.638 -2.080 18292 11008 1 18 . 1 1 63 63 SER HA H 63 4.606 4.606 4.720 -0.114 18292 11009 1 18 . 1 1 63 63 SER C C 63 171.147 171.147 174.504 -3.357 18292 11010 1 18 . 1 1 63 63 SER CA C 63 53.259 53.259 56.225 -2.966 18292 11011 1 18 . 1 1 63 63 SER CB C 63 63.378 63.378 67.035 -3.657 18292 11012 1 18 . 1 1 63 63 SER H H 63 6.990 6.990 7.703 -0.713 18292 11013 1 18 . 1 1 64 64 ILE N N 64 122.885 122.885 123.267 -0.382 18292 11014 1 18 . 1 1 64 64 ILE HA H 64 3.462 3.462 3.813 -0.351 18292 11015 1 18 . 1 1 64 64 ILE C C 64 174.204 174.204 177.579 -3.375 18292 11016 1 18 . 1 1 64 64 ILE CA C 64 62.955 62.955 65.519 -2.564 18292 11017 1 18 . 1 1 64 64 ILE CB C 64 35.297 35.297 37.843 -2.546 18292 11018 1 18 . 1 1 64 64 ILE H H 64 8.786 8.786 8.958 -0.172 18292 11019 1 18 . 1 1 65 65 ALA N N 65 120.653 120.653 122.328 -1.675 18292 11020 1 18 . 1 1 65 65 ALA HA H 65 3.890 3.890 3.958 -0.068 18292 11021 1 18 . 1 1 65 65 ALA C C 65 177.926 177.926 179.107 -1.181 18292 11022 1 18 . 1 1 65 65 ALA CA C 65 52.772 52.772 54.885 -2.113 18292 11023 1 18 . 1 1 65 65 ALA CB C 65 15.552 15.552 17.784 -2.232 18292 11024 1 18 . 1 1 65 65 ALA H H 65 8.287 8.287 8.529 -0.242 18292 11025 1 18 . 1 1 66 66 ALA N N 66 119.802 119.802 120.769 -0.967 18292 11026 1 18 . 1 1 66 66 ALA HA H 66 4.344 4.344 4.058 0.286 18292 11027 1 18 . 1 1 66 66 ALA C C 66 176.063 176.063 178.957 -2.894 18292 11028 1 18 . 1 1 66 66 ALA CA C 66 52.108 52.108 54.763 -2.655 18292 11029 1 18 . 1 1 66 66 ALA CB C 66 16.106 16.106 18.475 -2.369 18292 11030 1 18 . 1 1 66 66 ALA H H 66 7.952 7.952 7.721 0.231 18292 11031 1 18 . 1 1 67 67 ALA N N 67 121.626 121.626 121.940 -0.314 18292 11032 1 18 . 1 1 67 67 ALA HA H 67 4.398 4.398 3.839 0.559 18292 11033 1 18 . 1 1 67 67 ALA C C 67 175.824 175.824 179.524 -3.700 18292 11034 1 18 . 1 1 67 67 ALA CA C 67 53.135 53.135 54.532 -1.397 18292 11035 1 18 . 1 1 67 67 ALA CB C 67 17.020 17.020 18.297 -1.277 18292 11036 1 18 . 1 1 67 67 ALA H H 67 7.332 7.332 7.308 0.024 18292 11037 1 18 . 1 1 68 68 ILE N N 68 117.793 117.793 119.850 -2.057 18292 11038 1 18 . 1 1 68 68 ILE HA H 68 4.185 4.185 3.717 0.468 18292 11039 1 18 . 1 1 68 68 ILE C C 68 176.163 176.163 178.036 -1.873 18292 11040 1 18 . 1 1 68 68 ILE CA C 68 61.323 61.323 65.281 -3.958 18292 11041 1 18 . 1 1 68 68 ILE CB C 68 36.657 36.657 37.858 -1.201 18292 11042 1 18 . 1 1 68 68 ILE H H 68 8.655 8.655 8.575 0.080 18292 11043 1 18 . 1 1 69 69 ALA N N 69 119.051 119.051 120.886 -1.835 18292 11044 1 18 . 1 1 69 69 ALA HA H 69 3.836 3.836 3.858 -0.022 18292 11045 1 18 . 1 1 69 69 ALA C C 69 177.325 177.325 179.230 -1.905 18292 11046 1 18 . 1 1 69 69 ALA CA C 69 51.781 51.781 54.942 -3.161 18292 11047 1 18 . 1 1 69 69 ALA CB C 69 15.767 15.767 17.835 -2.068 18292 11048 1 18 . 1 1 69 69 ALA H H 69 7.377 7.377 7.660 -0.283 18292 11049 1 18 . 1 1 70 70 ALA N N 70 121.378 121.378 121.747 -0.369 18292 11050 1 18 . 1 1 70 70 ALA HA H 70 3.544 3.544 3.794 -0.250 18292 11051 1 18 . 1 1 70 70 ALA C C 70 176.012 176.012 179.087 -3.075 18292 11052 1 18 . 1 1 70 70 ALA CA C 70 52.966 52.966 54.557 -1.591 18292 11053 1 18 . 1 1 70 70 ALA CB C 70 16.740 16.740 17.726 -0.986 18292 11054 1 18 . 1 1 70 70 ALA H H 70 7.798 7.798 7.559 0.239 18292 11055 1 18 . 1 1 71 71 VAL N N 71 119.944 119.944 118.769 1.175 18292 11056 1 18 . 1 1 71 71 VAL HA H 71 2.524 2.524 3.148 -0.624 18292 11057 1 18 . 1 1 71 71 VAL C C 71 175.408 175.408 178.144 -2.736 18292 11058 1 18 . 1 1 71 71 VAL CA C 71 64.993 64.993 66.600 -1.607 18292 11059 1 18 . 1 1 71 71 VAL CB C 71 28.184 28.184 30.670 -2.486 18292 11060 1 18 . 1 1 71 71 VAL H H 71 8.662 8.662 7.893 0.769 18292 11061 1 18 . 1 1 72 72 ASN N N 72 114.981 114.981 116.666 -1.685 18292 11062 1 18 . 1 1 72 72 ASN HA H 72 4.244 4.244 4.398 -0.154 18292 11063 1 18 . 1 1 72 72 ASN C C 72 174.490 174.490 176.675 -2.185 18292 11064 1 18 . 1 1 72 72 ASN CA C 72 52.776 52.776 55.424 -2.648 18292 11065 1 18 . 1 1 72 72 ASN CB C 72 35.394 35.394 38.090 -2.696 18292 11066 1 18 . 1 1 72 72 ASN H H 72 8.061 8.061 8.394 -0.333 18292 11067 1 18 . 1 1 73 73 ALA N N 73 120.308 120.308 121.259 -0.951 18292 11068 1 18 . 1 1 73 73 ALA HA H 73 4.162 4.162 4.140 0.022 18292 11069 1 18 . 1 1 73 73 ALA C C 73 176.245 176.245 178.953 -2.708 18292 11070 1 18 . 1 1 73 73 ALA CA C 73 51.058 51.058 54.448 -3.390 18292 11071 1 18 . 1 1 73 73 ALA CB C 73 17.457 17.457 19.224 -1.767 18292 11072 1 18 . 1 1 73 73 ALA H H 73 7.230 7.230 7.683 -0.453 18292 11073 1 18 . 1 1 74 74 LEU N N 74 118.156 118.156 116.810 1.346 18292 11074 1 18 . 1 1 74 74 LEU HA H 74 4.021 4.021 4.216 -0.195 18292 11075 1 18 . 1 1 74 74 LEU C C 74 173.863 173.863 177.467 -3.604 18292 11076 1 18 . 1 1 74 74 LEU CA C 74 53.853 53.853 56.818 -2.965 18292 11077 1 18 . 1 1 74 74 LEU CB C 74 41.552 41.552 42.531 -0.979 18292 11078 1 18 . 1 1 74 74 LEU H H 74 7.856 7.856 7.984 -0.128 18292 11079 1 18 . 1 1 75 75 HIS N N 75 117.126 117.126 117.868 -0.742 18292 11080 1 18 . 1 1 75 75 HIS HA H 75 3.830 3.830 4.436 -0.606 18292 11081 1 18 . 1 1 75 75 HIS C C 75 174.851 174.851 176.737 -1.886 18292 11082 1 18 . 1 1 75 75 HIS CA C 75 56.621 56.621 58.022 -1.401 18292 11083 1 18 . 1 1 75 75 HIS CB C 75 28.299 28.299 30.119 -1.820 18292 11084 1 18 . 1 1 75 75 HIS H H 75 8.434 8.434 8.117 0.317 18292 11085 1 18 . 1 1 76 76 GLY N N 76 116.761 116.761 114.316 2.445 18292 11086 1 18 . 1 1 76 76 GLY CA C 76 42.221 42.221 44.991 -2.770 18292 11087 1 18 . 1 1 76 76 GLY H H 76 8.418 8.418 8.220 0.198 18292 11088 1 18 . 1 1 77 77 ARG N N 77 120.430 120.430 118.910 1.520 18292 11089 1 18 . 1 1 77 77 ARG HA H 77 4.248 4.248 4.546 -0.298 18292 11090 1 18 . 1 1 77 77 ARG C C 77 173.536 173.536 174.555 -1.019 18292 11091 1 18 . 1 1 77 77 ARG CA C 77 53.029 53.029 54.853 -1.824 18292 11092 1 18 . 1 1 77 77 ARG CB C 77 29.058 29.058 31.994 -2.936 18292 11093 1 18 . 1 1 77 77 ARG H H 77 7.385 7.385 7.609 -0.224 18292 11094 1 18 . 1 1 78 78 TRP N N 78 122.989 122.989 119.646 3.343 18292 11095 1 18 . 1 1 78 78 TRP HA H 78 4.941 4.941 5.092 -0.151 18292 11096 1 18 . 1 1 78 78 TRP C C 78 173.888 173.888 175.715 -1.827 18292 11097 1 18 . 1 1 78 78 TRP CA C 78 54.234 54.234 56.479 -2.245 18292 11098 1 18 . 1 1 78 78 TRP CB C 78 26.923 26.923 31.015 -4.092 18292 11099 1 18 . 1 1 78 78 TRP H H 78 8.463 8.463 8.321 0.142 18292 11100 1 18 . 1 1 79 79 PHE N N 79 126.899 126.899 123.691 3.208 18292 11101 1 18 . 1 1 79 79 PHE HA H 79 4.637 4.637 4.654 -0.017 18292 11102 1 18 . 1 1 79 79 PHE C C 79 171.696 171.696 177.583 -5.887 18292 11103 1 18 . 1 1 79 79 PHE CA C 79 54.624 54.624 58.434 -3.810 18292 11104 1 18 . 1 1 79 79 PHE CB C 79 39.577 39.577 40.862 -1.286 18292 11105 1 18 . 1 1 79 79 PHE H H 79 9.500 9.500 9.163 0.337 18292 11106 1 18 . 1 1 80 80 ALA N N 80 130.285 130.285 123.706 6.579 18292 11107 1 18 . 1 1 80 80 ALA HA H 80 3.705 3.705 4.149 -0.444 18292 11108 1 18 . 1 1 80 80 ALA C C 80 174.560 174.560 177.509 -2.949 18292 11109 1 18 . 1 1 80 80 ALA CA C 80 49.993 49.993 54.447 -4.454 18292 11110 1 18 . 1 1 80 80 ALA CB C 80 14.479 14.479 18.010 -3.531 18292 11111 1 18 . 1 1 80 80 ALA H H 80 8.840 8.840 8.659 0.181 18292 11112 1 18 . 1 1 81 81 GLY N N 81 102.771 102.771 103.860 -1.089 18292 11113 1 18 . 1 1 81 81 GLY C C 81 171.087 171.087 173.219 -2.132 18292 11114 1 18 . 1 1 81 81 GLY CA C 81 42.891 42.891 45.143 -2.252 18292 11115 1 18 . 1 1 81 81 GLY H H 81 8.268 8.268 8.391 -0.123 18292 11116 1 18 . 1 1 82 82 LYS N N 82 120.307 120.307 118.217 2.090 18292 11117 1 18 . 1 1 82 82 LYS HA H 82 4.469 4.469 4.796 -0.327 18292 11118 1 18 . 1 1 82 82 LYS C C 82 170.688 170.688 174.035 -3.347 18292 11119 1 18 . 1 1 82 82 LYS CA C 82 52.029 52.029 54.922 -2.893 18292 11120 1 18 . 1 1 82 82 LYS CB C 82 32.776 32.776 34.900 -2.124 18292 11121 1 18 . 1 1 82 82 LYS H H 82 7.791 7.791 8.024 -0.233 18292 11122 1 18 . 1 1 83 83 MET N N 83 121.212 121.212 121.412 -0.200 18292 11123 1 18 . 1 1 83 83 MET HA H 83 3.871 3.871 4.303 -0.432 18292 11124 1 18 . 1 1 83 83 MET C C 83 173.474 173.474 174.916 -1.442 18292 11125 1 18 . 1 1 83 83 MET CA C 83 51.968 51.968 54.907 -2.939 18292 11126 1 18 . 1 1 83 83 MET CB C 83 30.275 30.275 33.767 -3.492 18292 11127 1 18 . 1 1 83 83 MET H H 83 7.953 7.953 8.472 -0.519 18292 11128 1 18 . 1 1 84 84 ILE N N 84 128.512 128.512 123.832 4.680 18292 11129 1 18 . 1 1 84 84 ILE HA H 84 4.230 4.230 4.445 -0.215 18292 11130 1 18 . 1 1 84 84 ILE C C 84 173.459 173.459 174.399 -0.940 18292 11131 1 18 . 1 1 84 84 ILE CA C 84 58.832 58.832 58.956 -0.124 18292 11132 1 18 . 1 1 84 84 ILE CB C 84 36.088 36.088 39.565 -3.477 18292 11133 1 18 . 1 1 84 84 ILE H H 84 8.683 8.683 8.059 0.624 18292 11134 1 18 . 1 1 85 85 THR N N 85 115.456 115.456 117.812 -2.356 18292 11135 1 18 . 1 1 85 85 THR HA H 85 4.825 4.825 4.759 0.066 18292 11136 1 18 . 1 1 85 85 THR CA C 85 56.520 56.520 61.068 -4.548 18292 11137 1 18 . 1 1 85 85 THR CB C 85 68.803 68.803 70.049 -1.246 18292 11138 1 18 . 1 1 85 85 THR H H 85 7.318 7.318 8.388 -1.070 18292 11139 1 18 . 1 1 86 86 ALA N N 86 128.004 128.004 128.894 -0.890 18292 11140 1 18 . 1 1 86 86 ALA HA H 86 5.542 5.542 5.391 0.151 18292 11141 1 18 . 1 1 86 86 ALA C C 86 173.070 173.070 175.861 -2.791 18292 11142 1 18 . 1 1 86 86 ALA CA C 86 47.491 47.491 50.071 -2.580 18292 11143 1 18 . 1 1 86 86 ALA CB C 86 22.241 22.241 21.004 1.237 18292 11144 1 18 . 1 1 86 86 ALA H H 86 10.712 10.712 8.375 2.337 18292 11145 1 18 . 1 1 87 87 ALA N N 87 122.902 122.902 121.025 1.877 18292 11146 1 18 . 1 1 87 87 ALA HA H 87 4.499 4.499 4.686 -0.187 18292 11147 1 18 . 1 1 87 87 ALA C C 87 173.781 173.781 175.208 -1.427 18292 11148 1 18 . 1 1 87 87 ALA CA C 87 47.989 47.989 51.767 -3.778 18292 11149 1 18 . 1 1 87 87 ALA CB C 87 19.981 19.981 21.556 -1.575 18292 11150 1 18 . 1 1 87 87 ALA H H 87 8.413 8.413 8.060 0.353 18292 11151 1 18 . 1 1 88 88 TYR N N 88 120.267 120.267 120.072 0.195 18292 11152 1 18 . 1 1 88 88 TYR HA H 88 4.723 4.723 4.930 -0.207 18292 11153 1 18 . 1 1 88 88 TYR C C 88 173.615 173.615 176.827 -3.212 18292 11154 1 18 . 1 1 88 88 TYR CA C 88 57.556 57.556 58.861 -1.305 18292 11155 1 18 . 1 1 88 88 TYR CB C 88 36.474 36.474 39.779 -3.305 18292 11156 1 18 . 1 1 88 88 TYR H H 88 8.311 8.311 8.613 -0.302 18292 11157 1 18 . 1 1 89 89 VAL N N 89 123.298 123.298 115.116 8.182 18292 11158 1 18 . 1 1 89 89 VAL HA H 89 4.696 4.696 4.867 -0.171 18292 11159 1 18 . 1 1 89 89 VAL CA C 89 55.899 55.899 58.575 -2.676 18292 11160 1 18 . 1 1 89 89 VAL CB C 89 33.445 33.445 33.407 0.037 18292 11161 1 18 . 1 1 89 89 VAL H H 89 8.420 8.420 8.569 -0.149 18292 11162 1 18 . 1 1 90 90 PRO HA H 90 4.450 4.450 4.949 -0.499 18292 11163 1 18 . 1 1 90 90 PRO CA C 90 60.310 60.310 62.630 -2.320 18292 11164 1 18 . 1 1 90 90 PRO CB C 90 30.489 30.489 31.918 -1.429 18292 11165 1 18 . 1 1 91 91 LEU N N 91 126.649 126.649 126.802 -0.153 18292 11166 1 18 . 1 1 91 91 LEU HA H 91 3.975 3.975 4.103 -0.128 18292 11167 1 18 . 1 1 91 91 LEU CA C 91 56.691 56.691 60.290 -3.599 18292 11168 1 18 . 1 1 91 91 LEU CB C 91 37.139 37.139 40.110 -2.971 18292 11169 1 18 . 1 1 91 91 LEU H H 91 8.997 8.997 8.912 0.085 18292 11170 1 18 . 1 1 92 92 PRO HA H 92 4.211 4.211 4.460 -0.249 18292 11171 1 18 . 1 1 92 92 PRO C C 92 177.175 177.175 178.697 -1.522 18292 11172 1 18 . 1 1 92 92 PRO CA C 92 63.104 63.104 66.150 -3.046 18292 11173 1 18 . 1 1 92 92 PRO CB C 92 27.973 27.973 31.260 -3.287 18292 11174 1 18 . 1 1 93 93 THR N N 93 112.839 112.839 115.919 -3.080 18292 11175 1 18 . 1 1 93 93 THR HA H 93 3.827 3.827 4.153 -0.326 18292 11176 1 18 . 1 1 93 93 THR C C 93 172.669 172.669 176.386 -3.717 18292 11177 1 18 . 1 1 93 93 THR CA C 93 63.096 63.096 66.634 -3.538 18292 11178 1 18 . 1 1 93 93 THR CB C 93 65.968 65.968 68.604 -2.636 18292 11179 1 18 . 1 1 93 93 THR H H 93 6.528 6.528 7.637 -1.109 18292 11180 1 18 . 1 1 94 94 TYR N N 94 125.195 125.195 123.367 1.828 18292 11181 1 18 . 1 1 94 94 TYR HA H 94 3.515 3.515 4.097 -0.582 18292 11182 1 18 . 1 1 94 94 TYR C C 94 174.953 174.953 177.559 -2.606 18292 11183 1 18 . 1 1 94 94 TYR CA C 94 60.012 60.012 62.380 -2.369 18292 11184 1 18 . 1 1 94 94 TYR CB C 94 37.588 37.588 38.596 -1.008 18292 11185 1 18 . 1 1 94 94 TYR H H 94 8.263 8.263 8.462 -0.199 18292 11186 1 18 . 1 1 95 95 HIS N N 95 114.994 114.994 117.857 -2.863 18292 11187 1 18 . 1 1 95 95 HIS HA H 95 4.187 4.187 4.550 -0.363 18292 11188 1 18 . 1 1 95 95 HIS C C 95 173.780 173.780 177.738 -3.958 18292 11189 1 18 . 1 1 95 95 HIS CA C 95 53.471 53.471 59.977 -6.506 18292 11190 1 18 . 1 1 95 95 HIS CB C 95 26.528 26.528 29.487 -2.959 18292 11191 1 18 . 1 1 95 95 HIS H H 95 8.529 8.529 8.053 0.476 18292 11192 1 18 . 1 1 96 96 ASN N N 96 116.599 116.599 117.456 -0.857 18292 11193 1 18 . 1 1 96 96 ASN HA H 96 4.315 4.315 4.470 -0.155 18292 11194 1 18 . 1 1 96 96 ASN C C 96 175.849 175.849 177.265 -1.416 18292 11195 1 18 . 1 1 96 96 ASN CA C 96 52.814 52.814 55.519 -2.705 18292 11196 1 18 . 1 1 96 96 ASN CB C 96 36.453 36.453 38.553 -2.100 18292 11197 1 18 . 1 1 96 96 ASN H H 96 7.343 7.343 7.754 -0.411 18292 11198 1 18 . 1 1 97 97 LEU N N 97 119.316 119.316 117.779 1.537 18292 11199 1 18 . 1 1 97 97 LEU HA H 97 3.406 3.406 3.886 -0.480 18292 11200 1 18 . 1 1 97 97 LEU CA C 97 54.399 54.399 56.670 -2.271 18292 11201 1 18 . 1 1 97 97 LEU CB C 97 39.614 39.614 42.696 -3.082 18292 11202 1 18 . 1 1 97 97 LEU H H 97 7.299 7.299 7.455 -0.156 18292 11203 1 18 . 1 1 98 98 PHE N N 98 113.688 113.688 116.265 -2.577 18292 11204 1 18 . 1 1 98 98 PHE HA H 98 4.696 4.696 4.836 -0.140 18292 11205 1 18 . 1 1 98 98 PHE CA C 98 54.399 54.399 54.881 -0.482 18292 11206 1 18 . 1 1 98 98 PHE CB C 98 35.380 35.380 38.876 -3.496 18292 11207 1 18 . 1 1 98 98 PHE H H 98 7.795 7.795 7.904 -0.109 18292 11208 1 18 . 1 1 99 99 PRO HA H 99 4.430 4.430 4.437 -0.007 18292 11209 1 18 . 1 1 99 99 PRO C C 99 176.469 176.469 178.825 -2.356 18292 11210 1 18 . 1 1 99 99 PRO CA C 99 63.174 63.174 65.586 -2.412 18292 11211 1 18 . 1 1 99 99 PRO CB C 99 28.822 28.822 31.984 -3.162 18292 11212 1 18 . 1 1 100 100 ASP N N 100 115.482 115.482 116.370 -0.888 18292 11213 1 18 . 1 1 100 100 ASP HA H 100 4.306 4.306 4.399 -0.093 18292 11214 1 18 . 1 1 100 100 ASP C C 100 174.886 174.886 178.369 -3.483 18292 11215 1 18 . 1 1 100 100 ASP CA C 100 53.064 53.064 57.538 -4.474 18292 11216 1 18 . 1 1 100 100 ASP CB C 100 36.736 36.736 40.432 -3.696 18292 11217 1 18 . 1 1 100 100 ASP H H 100 8.897 8.897 8.898 -0.001 18292 11218 1 18 . 1 1 101 101 SER N N 101 114.743 114.743 115.285 -0.542 18292 11219 1 18 . 1 1 101 101 SER HA H 101 3.876 3.876 4.474 -0.598 18292 11220 1 18 . 1 1 101 101 SER C C 101 173.539 173.539 176.731 -3.192 18292 11221 1 18 . 1 1 101 101 SER CA C 101 58.183 58.183 60.900 -2.717 18292 11222 1 18 . 1 1 101 101 SER CB C 101 61.403 61.403 63.170 -1.767 18292 11223 1 18 . 1 1 101 101 SER H H 101 8.057 8.057 7.799 0.258 18292 11224 1 18 . 1 1 102 102 MET N N 102 122.103 122.103 119.325 2.778 18292 11225 1 18 . 1 1 102 102 MET HA H 102 3.340 3.340 4.848 -1.508 18292 11226 1 18 . 1 1 102 102 MET C C 102 174.488 174.488 176.276 -1.788 18292 11227 1 18 . 1 1 102 102 MET CA C 102 56.606 56.606 57.999 -1.393 18292 11228 1 18 . 1 1 102 102 MET CB C 102 31.312 31.312 33.061 -1.749 18292 11229 1 18 . 1 1 102 102 MET H H 102 7.319 7.319 8.590 -1.271 18292 11230 1 18 . 1 1 103 103 THR N N 103 104.780 104.780 109.223 -4.443 18292 11231 1 18 . 1 1 103 103 THR HA H 103 4.318 4.318 4.541 -0.223 18292 11232 1 18 . 1 1 103 103 THR C C 103 171.121 171.121 174.759 -3.638 18292 11233 1 18 . 1 1 103 103 THR CA C 103 57.203 57.203 61.541 -4.338 18292 11234 1 18 . 1 1 103 103 THR CB C 103 65.753 65.753 70.115 -4.362 18292 11235 1 18 . 1 1 103 103 THR H H 103 7.216 7.216 7.646 -0.430 18292 11236 1 18 . 1 1 104 104 ALA N N 104 125.795 125.795 126.767 -0.972 18292 11237 1 18 . 1 1 104 104 ALA HA H 104 4.347 4.347 4.411 -0.064 18292 11238 1 18 . 1 1 104 104 ALA C C 104 174.370 174.370 176.693 -2.323 18292 11239 1 18 . 1 1 104 104 ALA CA C 104 50.244 50.244 52.763 -2.519 18292 11240 1 18 . 1 1 104 104 ALA CB C 104 16.077 16.077 18.126 -2.049 18292 11241 1 18 . 1 1 104 104 ALA H H 104 6.605 6.605 7.568 -0.963 18292 11242 1 18 . 1 1 105 105 THR N N 105 111.482 111.482 114.575 -3.093 18292 11243 1 18 . 1 1 105 105 THR HA H 105 4.390 4.390 4.310 0.080 18292 11244 1 18 . 1 1 105 105 THR C C 105 171.563 171.563 174.215 -2.652 18292 11245 1 18 . 1 1 105 105 THR CA C 105 58.977 58.977 62.428 -3.451 18292 11246 1 18 . 1 1 105 105 THR CB C 105 68.537 68.537 68.876 -0.339 18292 11247 1 18 . 1 1 105 105 THR H H 105 8.698 8.698 8.273 0.425 18292 11248 1 18 . 1 1 106 106 GLN N N 106 123.003 123.003 120.489 2.514 18292 11249 1 18 . 1 1 106 106 GLN HA H 106 4.294 4.294 4.377 -0.083 18292 11250 1 18 . 1 1 106 106 GLN C C 106 172.973 172.973 174.839 -1.866 18292 11251 1 18 . 1 1 106 106 GLN CA C 106 52.710 52.710 54.295 -1.585 18292 11252 1 18 . 1 1 106 106 GLN CB C 106 27.282 27.282 28.969 -1.687 18292 11253 1 18 . 1 1 106 106 GLN H H 106 7.944 7.944 7.868 0.076 18292 11254 1 18 . 1 1 107 107 LEU N N 107 124.765 124.765 126.662 -1.897 18292 11255 1 18 . 1 1 107 107 LEU HA H 107 4.328 4.328 4.546 -0.218 18292 11256 1 18 . 1 1 107 107 LEU C C 107 174.110 174.110 177.498 -3.388 18292 11257 1 18 . 1 1 107 107 LEU CA C 107 52.798 52.798 55.189 -2.391 18292 11258 1 18 . 1 1 107 107 LEU CB C 107 37.829 37.829 42.260 -4.431 18292 11259 1 18 . 1 1 107 107 LEU H H 107 8.390 8.390 8.669 -0.279 18292 11260 1 18 . 1 1 108 108 LEU N N 108 122.332 122.332 125.970 -3.638 18292 11261 1 18 . 1 1 108 108 LEU HA H 108 4.259 4.259 4.459 -0.200 18292 11262 1 18 . 1 1 108 108 LEU C C 108 173.870 173.870 175.545 -1.675 18292 11263 1 18 . 1 1 108 108 LEU CA C 108 52.092 52.092 55.452 -3.360 18292 11264 1 18 . 1 1 108 108 LEU CB C 108 39.253 39.253 42.524 -3.271 18292 11265 1 18 . 1 1 108 108 LEU H H 108 8.480 8.480 8.684 -0.204 18292 11266 1 18 . 1 1 109 109 VAL N N 109 115.421 115.421 114.442 0.979 18292 11267 1 18 . 1 1 109 109 VAL HA H 109 4.444 4.444 4.585 -0.141 18292 11268 1 18 . 1 1 109 109 VAL CA C 109 55.640 55.640 58.461 -2.821 18292 11269 1 18 . 1 1 109 109 VAL CB C 109 31.153 31.153 32.051 -0.898 18292 11270 1 18 . 1 1 109 109 VAL H H 109 8.007 8.007 8.170 -0.163 18292 11271 1 18 . 1 1 110 110 PRO HA H 110 4.361 4.361 4.659 -0.298 18292 11272 1 18 . 1 1 110 110 PRO C C 110 173.778 173.778 175.720 -1.942 18292 11273 1 18 . 1 1 110 110 PRO CA C 110 59.737 59.737 62.506 -2.769 18292 11274 1 18 . 1 1 110 110 PRO CB C 110 29.710 29.710 33.141 -3.431 18292 11275 1 18 . 1 1 111 111 SER N N 111 120.434 120.434 114.317 6.117 18292 11276 1 18 . 1 1 111 111 SER HA H 111 4.139 4.139 4.562 -0.423 18292 11277 1 18 . 1 1 111 111 SER C C 111 172.475 172.475 174.315 -1.840 18292 11278 1 18 . 1 1 111 111 SER CA C 111 57.674 57.674 58.819 -1.145 18292 11279 1 18 . 1 1 111 111 SER CB C 111 60.580 60.580 65.664 -5.084 18292 11280 1 18 . 1 1 111 111 SER H H 111 9.945 9.945 9.049 0.896 18292 11281 1 18 . 1 1 112 112 ARG N N 112 121.013 121.013 121.795 -0.782 18292 11282 1 18 . 1 1 112 112 ARG HA H 112 4.253 4.253 4.481 -0.228 18292 11283 1 18 . 1 1 112 112 ARG C C 112 172.216 172.216 174.130 -1.914 18292 11284 1 18 . 1 1 112 112 ARG CA C 112 53.071 53.071 56.032 -2.961 18292 11285 1 18 . 1 1 112 112 ARG CB C 112 27.963 27.963 32.469 -4.506 18292 11286 1 18 . 1 1 112 112 ARG H H 112 7.861 7.861 8.823 -0.962 18292 11287 1 19 . 1 1 2 2 GLN N N 2 125.719 125.719 126.018 -0.299 18292 11288 1 19 . 1 1 2 2 GLN HA H 2 4.571 4.571 4.784 -0.213 18292 11289 1 19 . 1 1 2 2 GLN CA C 2 50.502 50.502 53.838 -3.336 18292 11290 1 19 . 1 1 2 2 GLN CB C 2 26.254 26.254 29.858 -3.604 18292 11291 1 19 . 1 1 2 2 GLN H H 2 8.471 8.471 8.284 0.187 18292 11292 1 19 . 1 1 3 3 PRO HA H 3 4.311 4.311 4.460 -0.149 18292 11293 1 19 . 1 1 3 3 PRO C C 3 173.634 173.634 175.751 -2.117 18292 11294 1 19 . 1 1 3 3 PRO CA C 3 60.349 60.349 63.204 -2.855 18292 11295 1 19 . 1 1 3 3 PRO CB C 3 29.678 29.678 30.449 -0.771 18292 11296 1 19 . 1 1 4 4 LEU N N 4 122.253 122.253 117.237 5.016 18292 11297 1 19 . 1 1 4 4 LEU HA H 4 4.133 4.133 4.603 -0.470 18292 11298 1 19 . 1 1 4 4 LEU C C 4 172.946 172.946 174.633 -1.687 18292 11299 1 19 . 1 1 4 4 LEU CA C 4 51.900 51.900 54.421 -2.521 18292 11300 1 19 . 1 1 4 4 LEU CB C 4 39.711 39.711 41.651 -1.940 18292 11301 1 19 . 1 1 4 4 LEU H H 4 7.912 7.912 7.520 0.392 18292 11302 1 19 . 1 1 5 5 ALA N N 5 122.619 122.619 123.873 -1.254 18292 11303 1 19 . 1 1 5 5 ALA HA H 5 2.385 2.385 4.197 -1.812 18292 11304 1 19 . 1 1 5 5 ALA C C 5 174.164 174.164 176.796 -2.632 18292 11305 1 19 . 1 1 5 5 ALA CA C 5 49.205 49.205 51.241 -2.036 18292 11306 1 19 . 1 1 5 5 ALA CB C 5 17.058 17.058 18.712 -1.654 18292 11307 1 19 . 1 1 5 5 ALA H H 5 7.415 7.415 7.614 -0.199 18292 11308 1 19 . 1 1 6 6 THR N N 6 112.768 112.768 113.851 -1.083 18292 11309 1 19 . 1 1 6 6 THR HA H 6 4.393 4.393 4.551 -0.158 18292 11310 1 19 . 1 1 6 6 THR C C 6 168.908 168.908 175.080 -6.172 18292 11311 1 19 . 1 1 6 6 THR CA C 6 56.371 56.371 60.040 -3.669 18292 11312 1 19 . 1 1 6 6 THR CB C 6 68.874 68.874 71.507 -2.633 18292 11313 1 19 . 1 1 6 6 THR H H 6 6.601 6.601 7.824 -1.223 18292 11314 1 19 . 1 1 7 7 GLN N N 7 111.707 111.707 118.667 -6.960 18292 11315 1 19 . 1 1 7 7 GLN HA H 7 4.344 4.344 4.305 0.039 18292 11316 1 19 . 1 1 7 7 GLN C C 7 171.068 171.068 174.469 -3.401 18292 11317 1 19 . 1 1 7 7 GLN CA C 7 53.795 53.795 56.685 -2.890 18292 11318 1 19 . 1 1 7 7 GLN CB C 7 28.252 28.252 26.944 1.308 18292 11319 1 19 . 1 1 7 7 GLN H H 7 8.547 8.547 8.935 -0.388 18292 11320 1 19 . 1 1 8 8 CYS N N 8 118.669 118.669 116.673 1.996 18292 11321 1 19 . 1 1 8 8 CYS HA H 8 5.389 5.389 4.855 0.534 18292 11322 1 19 . 1 1 8 8 CYS C C 8 171.026 171.026 173.540 -2.514 18292 11323 1 19 . 1 1 8 8 CYS CA C 8 53.652 53.652 57.124 -3.472 18292 11324 1 19 . 1 1 8 8 CYS CB C 8 29.416 29.416 31.083 -1.667 18292 11325 1 19 . 1 1 8 8 CYS H H 8 8.558 8.558 7.781 0.777 18292 11326 1 19 . 1 1 9 9 PHE N N 9 117.117 117.117 118.976 -1.859 18292 11327 1 19 . 1 1 9 9 PHE HA H 9 5.369 5.369 5.108 0.261 18292 11328 1 19 . 1 1 9 9 PHE C C 9 168.313 168.313 172.881 -4.568 18292 11329 1 19 . 1 1 9 9 PHE CA C 9 53.341 53.341 55.450 -2.109 18292 11330 1 19 . 1 1 9 9 PHE CB C 9 39.008 39.008 41.286 -2.278 18292 11331 1 19 . 1 1 9 9 PHE H H 9 9.533 9.533 8.281 1.252 18292 11332 1 19 . 1 1 10 10 GLN N N 10 118.344 118.344 114.650 3.694 18292 11333 1 19 . 1 1 10 10 GLN HA H 10 5.063 5.063 4.894 0.169 18292 11334 1 19 . 1 1 10 10 GLN C C 10 173.280 173.280 174.166 -0.886 18292 11335 1 19 . 1 1 10 10 GLN CA C 10 50.242 50.242 54.179 -3.937 18292 11336 1 19 . 1 1 10 10 GLN CB C 10 30.263 30.263 32.548 -2.285 18292 11337 1 19 . 1 1 10 10 GLN H H 10 9.299 9.299 9.041 0.258 18292 11338 1 19 . 1 1 11 11 LEU N N 11 128.664 128.664 120.764 7.900 18292 11339 1 19 . 1 1 11 11 LEU HA H 11 5.474 5.474 5.040 0.434 18292 11340 1 19 . 1 1 11 11 LEU C C 11 173.987 173.987 177.801 -3.814 18292 11341 1 19 . 1 1 11 11 LEU CA C 11 50.153 50.153 53.436 -3.283 18292 11342 1 19 . 1 1 11 11 LEU CB C 11 41.779 41.779 44.446 -2.667 18292 11343 1 19 . 1 1 11 11 LEU H H 11 9.679 9.679 8.064 1.615 18292 11344 1 19 . 1 1 12 12 SER N N 12 115.661 115.661 114.918 0.743 18292 11345 1 19 . 1 1 12 12 SER HA H 12 4.877 4.877 4.622 0.255 18292 11346 1 19 . 1 1 12 12 SER C C 12 170.086 170.086 172.673 -2.587 18292 11347 1 19 . 1 1 12 12 SER CA C 12 54.698 54.698 58.429 -3.732 18292 11348 1 19 . 1 1 12 12 SER CB C 12 63.054 63.054 63.136 -0.082 18292 11349 1 19 . 1 1 12 12 SER H H 12 8.717 8.717 8.545 0.172 18292 11350 1 19 . 1 1 13 13 ASN N N 13 114.812 114.812 118.709 -3.897 18292 11351 1 19 . 1 1 13 13 ASN HA H 13 4.165 4.165 4.718 -0.553 18292 11352 1 19 . 1 1 13 13 ASN C C 13 171.867 171.867 174.610 -2.743 18292 11353 1 19 . 1 1 13 13 ASN CA C 13 51.269 51.269 53.508 -2.239 18292 11354 1 19 . 1 1 13 13 ASN CB C 13 34.988 34.988 39.464 -4.476 18292 11355 1 19 . 1 1 13 13 ASN H H 13 8.563 8.563 7.918 0.645 18292 11356 1 19 . 1 1 14 14 MET N N 14 113.100 113.100 118.854 -5.754 18292 11357 1 19 . 1 1 14 14 MET HA H 14 4.258 4.258 4.082 0.176 18292 11358 1 19 . 1 1 14 14 MET C C 14 171.935 171.935 175.367 -3.432 18292 11359 1 19 . 1 1 14 14 MET CA C 14 53.020 53.020 57.361 -4.341 18292 11360 1 19 . 1 1 14 14 MET CB C 14 29.746 29.746 33.534 -3.788 18292 11361 1 19 . 1 1 14 14 MET H H 14 8.261 8.261 8.195 0.066 18292 11362 1 19 . 1 1 15 15 PHE N N 15 108.769 108.769 109.015 -0.246 18292 11363 1 19 . 1 1 15 15 PHE HA H 15 4.485 4.485 4.619 -0.134 18292 11364 1 19 . 1 1 15 15 PHE C C 15 170.024 170.024 173.193 -3.169 18292 11365 1 19 . 1 1 15 15 PHE CA C 15 53.080 53.080 55.549 -2.469 18292 11366 1 19 . 1 1 15 15 PHE CB C 15 36.300 36.300 39.353 -3.053 18292 11367 1 19 . 1 1 15 15 PHE H H 15 6.804 6.804 7.059 -0.255 18292 11368 1 19 . 1 1 16 16 ASN N N 16 117.922 117.922 117.399 0.523 18292 11369 1 19 . 1 1 16 16 ASN HA H 16 4.932 4.932 5.188 -0.256 18292 11370 1 19 . 1 1 16 16 ASN CA C 16 47.510 47.510 50.674 -3.164 18292 11371 1 19 . 1 1 16 16 ASN CB C 16 36.512 36.512 40.642 -4.130 18292 11372 1 19 . 1 1 16 16 ASN H H 16 8.681 8.681 8.454 0.227 18292 11373 1 19 . 1 1 17 17 PRO HA H 17 4.102 4.102 4.522 -0.420 18292 11374 1 19 . 1 1 17 17 PRO C C 17 174.773 174.773 176.176 -1.403 18292 11375 1 19 . 1 1 17 17 PRO CA C 17 61.933 61.933 63.947 -2.014 18292 11376 1 19 . 1 1 17 17 PRO CB C 17 29.557 29.557 32.515 -2.958 18292 11377 1 19 . 1 1 18 18 GLN N N 18 116.462 116.462 117.595 -1.133 18292 11378 1 19 . 1 1 18 18 GLN HA H 18 4.146 4.146 4.455 -0.309 18292 11379 1 19 . 1 1 18 18 GLN C C 18 174.423 174.423 175.432 -1.009 18292 11380 1 19 . 1 1 18 18 GLN CA C 18 54.067 54.067 55.580 -1.513 18292 11381 1 19 . 1 1 18 18 GLN CB C 18 26.326 26.326 28.766 -2.440 18292 11382 1 19 . 1 1 18 18 GLN H H 18 7.934 7.934 7.924 0.010 18292 11383 1 19 . 1 1 19 19 THR N N 19 112.362 112.362 113.992 -1.630 18292 11384 1 19 . 1 1 19 19 THR HA H 19 4.176 4.176 4.419 -0.243 18292 11385 1 19 . 1 1 19 19 THR C C 19 171.908 171.908 173.076 -1.168 18292 11386 1 19 . 1 1 19 19 THR CA C 19 59.509 59.509 62.206 -2.697 18292 11387 1 19 . 1 1 19 19 THR CB C 19 66.360 66.360 69.051 -2.691 18292 11388 1 19 . 1 1 19 19 THR H H 19 7.723 7.723 7.880 -0.157 18292 11389 1 19 . 1 1 20 20 GLU N N 20 120.326 120.326 121.657 -1.331 18292 11390 1 19 . 1 1 20 20 GLU HA H 20 3.658 3.658 4.165 -0.507 18292 11391 1 19 . 1 1 20 20 GLU C C 20 173.311 173.311 175.423 -2.112 18292 11392 1 19 . 1 1 20 20 GLU CA C 20 53.164 53.164 56.455 -3.291 18292 11393 1 19 . 1 1 20 20 GLU CB C 20 25.837 25.837 29.191 -3.354 18292 11394 1 19 . 1 1 20 20 GLU H H 20 7.312 7.312 8.346 -1.034 18292 11395 1 19 . 1 1 21 21 GLU N N 21 120.796 120.796 121.583 -0.787 18292 11396 1 19 . 1 1 21 21 GLU HA H 21 4.162 4.162 4.455 -0.293 18292 11397 1 19 . 1 1 21 21 GLU C C 21 173.747 173.747 174.974 -1.227 18292 11398 1 19 . 1 1 21 21 GLU CA C 21 53.873 53.873 56.393 -2.520 18292 11399 1 19 . 1 1 21 21 GLU CB C 21 28.445 28.445 30.852 -2.407 18292 11400 1 19 . 1 1 21 21 GLU H H 21 8.011 8.011 8.443 -0.432 18292 11401 1 19 . 1 1 22 22 GLU N N 22 121.370 121.370 120.990 0.380 18292 11402 1 19 . 1 1 22 22 GLU HA H 22 4.393 4.393 4.599 -0.206 18292 11403 1 19 . 1 1 22 22 GLU C C 22 173.536 173.536 174.964 -1.428 18292 11404 1 19 . 1 1 22 22 GLU CA C 22 52.982 52.982 55.508 -2.526 18292 11405 1 19 . 1 1 22 22 GLU CB C 22 28.012 28.012 30.775 -2.763 18292 11406 1 19 . 1 1 22 22 GLU H H 22 8.039 8.039 8.206 -0.167 18292 11407 1 19 . 1 1 23 23 VAL N N 23 123.340 123.340 123.683 -0.343 18292 11408 1 19 . 1 1 23 23 VAL HA H 23 3.901 3.901 3.945 -0.044 18292 11409 1 19 . 1 1 23 23 VAL C C 23 175.077 175.077 176.410 -1.333 18292 11410 1 19 . 1 1 23 23 VAL CA C 23 61.540 61.540 63.863 -2.323 18292 11411 1 19 . 1 1 23 23 VAL CB C 23 29.361 29.361 32.043 -2.682 18292 11412 1 19 . 1 1 23 23 VAL H H 23 8.447 8.447 8.712 -0.265 18292 11413 1 19 . 1 1 24 24 GLY N N 24 114.476 114.476 116.996 -2.520 18292 11414 1 19 . 1 1 24 24 GLY C C 24 173.717 173.717 175.152 -1.435 18292 11415 1 19 . 1 1 24 24 GLY CA C 24 42.667 42.667 44.769 -2.102 18292 11416 1 19 . 1 1 24 24 GLY H H 24 9.087 9.087 8.613 0.474 18292 11417 1 19 . 1 1 25 25 TRP N N 25 121.382 121.382 120.945 0.437 18292 11418 1 19 . 1 1 25 25 TRP HA H 25 4.214 4.214 4.349 -0.135 18292 11419 1 19 . 1 1 25 25 TRP C C 25 174.056 174.056 174.870 -0.814 18292 11420 1 19 . 1 1 25 25 TRP CA C 25 56.093 56.093 57.656 -1.563 18292 11421 1 19 . 1 1 25 25 TRP CB C 25 25.016 25.016 28.381 -3.365 18292 11422 1 19 . 1 1 26 26 ASP N N 26 118.789 118.789 116.436 2.353 18292 11423 1 19 . 1 1 26 26 ASP HA H 26 3.261 3.261 4.364 -1.103 18292 11424 1 19 . 1 1 26 26 ASP C C 26 174.709 174.709 176.954 -2.245 18292 11425 1 19 . 1 1 26 26 ASP CA C 26 52.705 52.705 54.288 -1.583 18292 11426 1 19 . 1 1 26 26 ASP CB C 26 34.503 34.503 39.719 -5.216 18292 11427 1 19 . 1 1 26 26 ASP H H 26 7.939 7.939 7.150 0.789 18292 11428 1 19 . 1 1 27 27 THR N N 27 118.934 118.934 114.967 3.967 18292 11429 1 19 . 1 1 27 27 THR HA H 27 3.552 3.552 4.255 -0.703 18292 11430 1 19 . 1 1 27 27 THR C C 27 172.390 172.390 175.953 -3.563 18292 11431 1 19 . 1 1 27 27 THR CA C 27 63.307 63.307 65.313 -2.006 18292 11432 1 19 . 1 1 27 27 THR CB C 27 65.331 65.331 69.639 -4.308 18292 11433 1 19 . 1 1 27 27 THR H H 27 7.103 7.103 7.884 -0.781 18292 11434 1 19 . 1 1 28 28 GLU N N 28 120.484 120.484 122.770 -2.286 18292 11435 1 19 . 1 1 28 28 GLU HA H 28 3.978 3.978 4.245 -0.267 18292 11436 1 19 . 1 1 28 28 GLU C C 28 175.447 175.447 178.799 -3.352 18292 11437 1 19 . 1 1 28 28 GLU CA C 28 56.760 56.760 58.638 -1.878 18292 11438 1 19 . 1 1 28 28 GLU CB C 28 26.418 26.418 28.804 -2.386 18292 11439 1 19 . 1 1 28 28 GLU H H 28 7.473 7.473 8.260 -0.787 18292 11440 1 19 . 1 1 29 29 ILE N N 29 116.961 116.961 120.951 -3.990 18292 11441 1 19 . 1 1 29 29 ILE HA H 29 3.773 3.773 3.746 0.027 18292 11442 1 19 . 1 1 29 29 ILE C C 29 174.605 174.605 178.069 -3.464 18292 11443 1 19 . 1 1 29 29 ILE CA C 29 61.243 61.243 65.097 -3.854 18292 11444 1 19 . 1 1 29 29 ILE CB C 29 35.267 35.267 37.853 -2.586 18292 11445 1 19 . 1 1 29 29 ILE H H 29 7.113 7.113 8.122 -1.009 18292 11446 1 19 . 1 1 30 30 LYS N N 30 118.457 118.457 118.113 0.344 18292 11447 1 19 . 1 1 30 30 LYS HA H 30 3.430 3.430 3.986 -0.556 18292 11448 1 19 . 1 1 30 30 LYS C C 30 174.886 174.886 177.984 -3.098 18292 11449 1 19 . 1 1 30 30 LYS CA C 30 57.872 57.872 59.340 -1.468 18292 11450 1 19 . 1 1 30 30 LYS CB C 30 29.680 29.680 31.866 -2.186 18292 11451 1 19 . 1 1 30 30 LYS H H 30 7.480 7.480 8.089 -0.609 18292 11452 1 19 . 1 1 31 31 ASP N N 31 118.630 118.630 120.383 -1.753 18292 11453 1 19 . 1 1 31 31 ASP HA H 31 4.233 4.233 4.365 -0.132 18292 11454 1 19 . 1 1 31 31 ASP C C 31 175.558 175.558 177.740 -2.182 18292 11455 1 19 . 1 1 31 31 ASP CA C 31 55.137 55.137 57.762 -2.625 18292 11456 1 19 . 1 1 31 31 ASP CB C 31 36.829 36.829 40.746 -3.917 18292 11457 1 19 . 1 1 31 31 ASP H H 31 8.334 8.334 7.835 0.499 18292 11458 1 19 . 1 1 32 32 ASP N N 32 120.576 120.576 120.180 0.396 18292 11459 1 19 . 1 1 32 32 ASP HA H 32 4.277 4.277 4.445 -0.168 18292 11460 1 19 . 1 1 32 32 ASP C C 32 176.966 176.966 178.710 -1.744 18292 11461 1 19 . 1 1 32 32 ASP CA C 32 54.829 54.829 57.621 -2.792 18292 11462 1 19 . 1 1 32 32 ASP CB C 32 37.331 37.331 41.025 -3.694 18292 11463 1 19 . 1 1 32 32 ASP H H 32 8.189 8.189 7.772 0.417 18292 11464 1 19 . 1 1 33 33 VAL N N 33 121.083 121.083 117.841 3.242 18292 11465 1 19 . 1 1 33 33 VAL HA H 33 3.444 3.444 3.941 -0.497 18292 11466 1 19 . 1 1 33 33 VAL C C 33 175.529 175.529 177.679 -2.150 18292 11467 1 19 . 1 1 33 33 VAL CA C 33 64.511 64.511 65.474 -0.963 18292 11468 1 19 . 1 1 33 33 VAL CB C 33 28.920 28.920 31.725 -2.805 18292 11469 1 19 . 1 1 33 33 VAL H H 33 8.069 8.069 7.510 0.559 18292 11470 1 19 . 1 1 34 34 ILE N N 34 122.145 122.145 121.391 0.754 18292 11471 1 19 . 1 1 34 34 ILE HA H 34 3.272 3.272 3.865 -0.593 18292 11472 1 19 . 1 1 34 34 ILE C C 34 174.723 174.723 178.701 -3.978 18292 11473 1 19 . 1 1 34 34 ILE CA C 34 63.723 63.723 64.685 -0.962 18292 11474 1 19 . 1 1 34 34 ILE CB C 34 35.949 35.949 38.013 -2.064 18292 11475 1 19 . 1 1 34 34 ILE H H 34 8.887 8.887 7.786 1.101 18292 11476 1 19 . 1 1 35 35 GLU N N 35 117.927 117.927 120.884 -2.957 18292 11477 1 19 . 1 1 35 35 GLU HA H 35 3.830 3.830 3.958 -0.128 18292 11478 1 19 . 1 1 35 35 GLU C C 35 176.747 176.747 178.788 -2.041 18292 11479 1 19 . 1 1 35 35 GLU CA C 35 57.183 57.183 60.097 -2.914 18292 11480 1 19 . 1 1 35 35 GLU CB C 35 26.969 26.969 29.343 -2.374 18292 11481 1 19 . 1 1 35 35 GLU H H 35 8.565 8.565 8.425 0.140 18292 11482 1 19 . 1 1 36 36 GLU N N 36 117.299 117.299 117.111 0.188 18292 11483 1 19 . 1 1 36 36 GLU HA H 36 4.012 4.012 4.297 -0.285 18292 11484 1 19 . 1 1 36 36 GLU C C 36 176.604 176.604 178.134 -1.530 18292 11485 1 19 . 1 1 36 36 GLU CA C 36 56.357 56.357 58.400 -2.043 18292 11486 1 19 . 1 1 36 36 GLU CB C 36 26.612 26.612 29.600 -2.988 18292 11487 1 19 . 1 1 36 36 GLU H H 36 7.523 7.523 8.199 -0.676 18292 11488 1 19 . 1 1 37 37 CYS N N 37 116.308 116.308 116.208 0.100 18292 11489 1 19 . 1 1 37 37 CYS HA H 37 4.141 4.141 4.414 -0.273 18292 11490 1 19 . 1 1 37 37 CYS C C 37 175.888 175.888 176.093 -0.205 18292 11491 1 19 . 1 1 37 37 CYS CA C 37 61.915 61.915 59.068 2.847 18292 11492 1 19 . 1 1 37 37 CYS CB C 37 24.513 24.513 28.273 -3.760 18292 11493 1 19 . 1 1 37 37 CYS H H 37 8.754 8.754 7.500 1.254 18292 11494 1 19 . 1 1 38 38 ASN N N 38 121.598 121.598 120.654 0.944 18292 11495 1 19 . 1 1 38 38 ASN HA H 38 4.452 4.452 4.475 -0.023 18292 11496 1 19 . 1 1 38 38 ASN C C 38 174.340 174.340 177.492 -3.152 18292 11497 1 19 . 1 1 38 38 ASN CA C 38 52.249 52.249 55.513 -3.264 18292 11498 1 19 . 1 1 38 38 ASN CB C 38 34.488 34.488 37.991 -3.503 18292 11499 1 19 . 1 1 38 38 ASN H H 38 8.800 8.800 8.442 0.358 18292 11500 1 19 . 1 1 39 39 LYS N N 39 119.297 119.297 118.458 0.839 18292 11501 1 19 . 1 1 39 39 LYS HA H 39 4.002 4.002 4.181 -0.179 18292 11502 1 19 . 1 1 39 39 LYS C C 39 174.388 174.388 177.392 -3.004 18292 11503 1 19 . 1 1 39 39 LYS CA C 39 55.239 55.239 58.270 -3.031 18292 11504 1 19 . 1 1 39 39 LYS CB C 39 29.477 29.477 32.136 -2.659 18292 11505 1 19 . 1 1 39 39 LYS H H 39 7.427 7.427 7.739 -0.312 18292 11506 1 19 . 1 1 40 40 HIS N N 40 114.421 114.421 112.185 2.236 18292 11507 1 19 . 1 1 40 40 HIS HA H 40 4.896 4.896 4.854 0.042 18292 11508 1 19 . 1 1 40 40 HIS C C 40 171.895 171.895 175.479 -3.584 18292 11509 1 19 . 1 1 40 40 HIS CA C 40 51.758 51.758 55.180 -3.422 18292 11510 1 19 . 1 1 40 40 HIS CB C 40 28.775 28.775 31.429 -2.654 18292 11511 1 19 . 1 1 40 40 HIS H H 40 7.453 7.453 7.709 -0.256 18292 11512 1 19 . 1 1 41 41 GLY N N 41 106.587 106.587 107.194 -0.607 18292 11513 1 19 . 1 1 41 41 GLY C C 41 171.376 171.376 174.308 -2.932 18292 11514 1 19 . 1 1 41 41 GLY CA C 41 42.388 42.388 44.881 -2.493 18292 11515 1 19 . 1 1 41 41 GLY H H 41 7.599 7.599 7.539 0.060 18292 11516 1 19 . 1 1 42 42 GLY N N 42 107.066 107.066 108.786 -1.720 18292 11517 1 19 . 1 1 42 42 GLY C C 42 169.120 169.120 172.355 -3.235 18292 11518 1 19 . 1 1 42 42 GLY CA C 42 41.518 41.518 44.723 -3.205 18292 11519 1 19 . 1 1 42 42 GLY H H 42 7.942 7.942 7.829 0.113 18292 11520 1 19 . 1 1 43 43 VAL N N 43 114.640 114.640 118.898 -4.258 18292 11521 1 19 . 1 1 43 43 VAL HA H 43 4.527 4.527 4.576 -0.049 18292 11522 1 19 . 1 1 43 43 VAL C C 43 169.861 169.861 174.660 -4.799 18292 11523 1 19 . 1 1 43 43 VAL CA C 43 58.404 58.404 60.011 -1.607 18292 11524 1 19 . 1 1 43 43 VAL CB C 43 31.692 31.692 35.236 -3.543 18292 11525 1 19 . 1 1 43 43 VAL H H 43 8.679 8.679 8.146 0.533 18292 11526 1 19 . 1 1 44 44 ILE N N 44 115.792 115.792 119.933 -4.141 18292 11527 1 19 . 1 1 44 44 ILE HA H 44 4.918 4.918 4.912 0.006 18292 11528 1 19 . 1 1 44 44 ILE C C 44 172.246 172.246 175.053 -2.807 18292 11529 1 19 . 1 1 44 44 ILE CA C 44 57.770 57.770 60.831 -3.061 18292 11530 1 19 . 1 1 44 44 ILE CB C 44 37.197 37.197 39.671 -2.474 18292 11531 1 19 . 1 1 44 44 ILE H H 44 8.587 8.587 8.262 0.325 18292 11532 1 19 . 1 1 45 45 HIS N N 45 122.684 122.684 118.168 4.516 18292 11533 1 19 . 1 1 45 45 HIS HA H 45 4.426 4.426 4.850 -0.424 18292 11534 1 19 . 1 1 45 45 HIS C C 45 168.452 168.452 173.016 -4.564 18292 11535 1 19 . 1 1 45 45 HIS CA C 45 55.548 55.548 56.095 -0.547 18292 11536 1 19 . 1 1 45 45 HIS CB C 45 31.632 31.632 34.391 -2.759 18292 11537 1 19 . 1 1 45 45 HIS H H 45 7.791 7.791 7.737 0.054 18292 11538 1 19 . 1 1 46 46 ILE N N 46 123.917 123.917 124.874 -0.957 18292 11539 1 19 . 1 1 46 46 ILE HA H 46 5.120 5.120 4.850 0.270 18292 11540 1 19 . 1 1 46 46 ILE C C 46 170.171 170.171 173.273 -3.102 18292 11541 1 19 . 1 1 46 46 ILE CA C 46 56.063 56.063 60.214 -4.151 18292 11542 1 19 . 1 1 46 46 ILE CB C 46 39.753 39.753 41.757 -2.004 18292 11543 1 19 . 1 1 46 46 ILE H H 46 7.391 7.391 8.297 -0.906 18292 11544 1 19 . 1 1 47 47 TYR N N 47 125.750 125.750 128.032 -2.282 18292 11545 1 19 . 1 1 47 47 TYR HA H 47 4.370 4.370 4.851 -0.481 18292 11546 1 19 . 1 1 47 47 TYR C C 47 171.029 171.029 174.284 -3.255 18292 11547 1 19 . 1 1 47 47 TYR CA C 47 54.800 54.800 56.289 -1.490 18292 11548 1 19 . 1 1 47 47 TYR CB C 47 39.851 39.851 40.740 -0.889 18292 11549 1 19 . 1 1 47 47 TYR H H 47 9.055 9.055 9.064 -0.009 18292 11550 1 19 . 1 1 48 48 VAL N N 48 129.720 129.720 126.937 2.783 18292 11551 1 19 . 1 1 48 48 VAL HA H 48 3.869 3.869 3.882 -0.013 18292 11552 1 19 . 1 1 48 48 VAL C C 48 170.949 170.949 174.745 -3.796 18292 11553 1 19 . 1 1 48 48 VAL CA C 48 59.328 59.328 63.198 -3.870 18292 11554 1 19 . 1 1 48 48 VAL CB C 48 29.022 29.022 32.012 -2.990 18292 11555 1 19 . 1 1 48 48 VAL H H 48 8.290 8.290 8.355 -0.065 18292 11556 1 19 . 1 1 49 49 ASP N N 49 125.287 125.287 126.314 -1.027 18292 11557 1 19 . 1 1 49 49 ASP HA H 49 4.703 4.703 4.328 0.375 18292 11558 1 19 . 1 1 49 49 ASP C C 49 173.851 173.851 174.949 -1.098 18292 11559 1 19 . 1 1 49 49 ASP CA C 49 50.349 50.349 52.799 -2.450 18292 11560 1 19 . 1 1 49 49 ASP CB C 49 38.139 38.139 42.679 -4.540 18292 11561 1 19 . 1 1 49 49 ASP H H 49 8.274 8.274 8.107 0.167 18292 11562 1 19 . 1 1 50 50 LYS N N 50 125.099 125.099 120.510 4.589 18292 11563 1 19 . 1 1 50 50 LYS HA H 50 4.096 4.096 4.110 -0.014 18292 11564 1 19 . 1 1 50 50 LYS C C 50 173.120 173.120 177.580 -4.460 18292 11565 1 19 . 1 1 50 50 LYS CA C 50 56.284 56.284 57.664 -1.380 18292 11566 1 19 . 1 1 50 50 LYS CB C 50 29.763 29.763 32.889 -3.126 18292 11567 1 19 . 1 1 50 50 LYS H H 50 8.090 8.090 8.531 -0.441 18292 11568 1 19 . 1 1 51 51 ASN N N 51 114.422 114.422 116.797 -2.375 18292 11569 1 19 . 1 1 51 51 ASN HA H 51 4.931 4.931 4.657 0.274 18292 11570 1 19 . 1 1 51 51 ASN C C 51 172.685 172.685 175.794 -3.109 18292 11571 1 19 . 1 1 51 51 ASN CA C 51 50.744 50.744 54.214 -3.470 18292 11572 1 19 . 1 1 51 51 ASN CB C 51 37.036 37.036 38.714 -1.678 18292 11573 1 19 . 1 1 51 51 ASN H H 51 8.272 8.272 8.211 0.061 18292 11574 1 19 . 1 1 52 52 SER N N 52 115.013 115.013 114.266 0.747 18292 11575 1 19 . 1 1 52 52 SER HA H 52 4.410 4.410 4.371 0.039 18292 11576 1 19 . 1 1 52 52 SER C C 52 172.628 172.628 174.145 -1.517 18292 11577 1 19 . 1 1 52 52 SER CA C 52 55.035 55.035 59.149 -4.114 18292 11578 1 19 . 1 1 52 52 SER CB C 52 61.604 61.604 64.060 -2.456 18292 11579 1 19 . 1 1 52 52 SER H H 52 7.920 7.920 7.658 0.262 18292 11580 1 19 . 1 1 53 53 ALA N N 53 129.163 129.163 123.617 5.546 18292 11581 1 19 . 1 1 53 53 ALA HA H 53 4.088 4.088 4.533 -0.445 18292 11582 1 19 . 1 1 53 53 ALA C C 53 175.951 175.951 177.513 -1.562 18292 11583 1 19 . 1 1 53 53 ALA CA C 53 51.409 51.409 52.404 -0.994 18292 11584 1 19 . 1 1 53 53 ALA CB C 53 15.878 15.878 20.335 -4.457 18292 11585 1 19 . 1 1 53 53 ALA H H 53 8.837 8.837 8.946 -0.109 18292 11586 1 19 . 1 1 54 54 GLN N N 54 113.081 113.081 118.410 -5.329 18292 11587 1 19 . 1 1 54 54 GLN HA H 54 4.202 4.202 4.326 -0.124 18292 11588 1 19 . 1 1 54 54 GLN C C 54 173.388 173.388 175.327 -1.939 18292 11589 1 19 . 1 1 54 54 GLN CA C 54 52.993 52.993 54.931 -1.938 18292 11590 1 19 . 1 1 54 54 GLN CB C 54 26.360 26.360 30.487 -4.127 18292 11591 1 19 . 1 1 54 54 GLN H H 54 7.836 7.836 7.623 0.213 18292 11592 1 19 . 1 1 55 55 GLY N N 55 108.967 108.967 107.139 1.828 18292 11593 1 19 . 1 1 55 55 GLY CA C 55 45.087 45.087 44.483 0.604 18292 11594 1 19 . 1 1 55 55 GLY H H 55 7.191 7.191 8.219 -1.028 18292 11595 1 19 . 1 1 56 56 ASN N N 56 114.505 114.505 117.807 -3.302 18292 11596 1 19 . 1 1 56 56 ASN HA H 56 5.520 5.520 4.828 0.692 18292 11597 1 19 . 1 1 56 56 ASN C C 56 172.166 172.166 174.848 -2.682 18292 11598 1 19 . 1 1 56 56 ASN CA C 56 50.462 50.462 54.265 -3.803 18292 11599 1 19 . 1 1 56 56 ASN CB C 56 38.400 38.400 39.897 -1.497 18292 11600 1 19 . 1 1 56 56 ASN H H 56 7.614 7.614 7.796 -0.182 18292 11601 1 19 . 1 1 57 57 VAL N N 57 119.859 119.859 115.456 4.403 18292 11602 1 19 . 1 1 57 57 VAL HA H 57 4.692 4.692 4.637 0.055 18292 11603 1 19 . 1 1 57 57 VAL C C 57 170.667 170.667 174.261 -3.594 18292 11604 1 19 . 1 1 57 57 VAL CA C 57 58.163 58.163 59.903 -1.740 18292 11605 1 19 . 1 1 57 57 VAL CB C 57 33.663 33.663 35.730 -2.067 18292 11606 1 19 . 1 1 57 57 VAL H H 57 8.354 8.354 7.811 0.543 18292 11607 1 19 . 1 1 58 58 TYR N N 58 128.478 128.478 120.157 8.321 18292 11608 1 19 . 1 1 58 58 TYR HA H 58 4.937 4.937 5.029 -0.092 18292 11609 1 19 . 1 1 58 58 TYR C C 58 170.605 170.605 174.522 -3.917 18292 11610 1 19 . 1 1 58 58 TYR CA C 58 55.354 55.354 57.377 -2.023 18292 11611 1 19 . 1 1 58 58 TYR CB C 58 37.775 37.775 41.978 -4.203 18292 11612 1 19 . 1 1 58 58 TYR H H 58 9.275 9.275 8.740 0.535 18292 11613 1 19 . 1 1 59 59 VAL N N 59 123.117 123.117 120.332 2.785 18292 11614 1 19 . 1 1 59 59 VAL HA H 59 4.462 4.462 4.761 -0.299 18292 11615 1 19 . 1 1 59 59 VAL C C 59 170.875 170.875 173.455 -2.580 18292 11616 1 19 . 1 1 59 59 VAL CA C 59 58.527 58.527 59.825 -1.298 18292 11617 1 19 . 1 1 59 59 VAL CB C 59 32.611 32.611 35.670 -3.059 18292 11618 1 19 . 1 1 59 59 VAL H H 59 8.860 8.860 8.808 0.052 18292 11619 1 19 . 1 1 60 60 LYS N N 60 123.266 123.266 127.483 -4.217 18292 11620 1 19 . 1 1 60 60 LYS HA H 60 4.745 4.745 4.767 -0.022 18292 11621 1 19 . 1 1 60 60 LYS C C 60 173.399 173.399 174.999 -1.600 18292 11622 1 19 . 1 1 60 60 LYS CA C 60 52.207 52.207 54.753 -2.546 18292 11623 1 19 . 1 1 60 60 LYS CB C 60 34.244 34.244 35.207 -0.963 18292 11624 1 19 . 1 1 60 60 LYS H H 60 8.668 8.668 8.331 0.337 18292 11625 1 19 . 1 1 61 61 CYS N N 61 125.267 125.267 125.351 -0.084 18292 11626 1 19 . 1 1 61 61 CYS HA H 61 4.740 4.740 4.907 -0.167 18292 11627 1 19 . 1 1 61 61 CYS CA C 61 56.393 56.393 56.182 0.211 18292 11628 1 19 . 1 1 61 61 CYS CB C 61 27.416 27.416 29.058 -1.642 18292 11629 1 19 . 1 1 61 61 CYS H H 61 9.207 9.207 9.003 0.204 18292 11630 1 19 . 1 1 62 62 PRO HA H 62 4.266 4.266 4.471 -0.205 18292 11631 1 19 . 1 1 62 62 PRO C C 62 171.443 171.443 175.918 -4.475 18292 11632 1 19 . 1 1 62 62 PRO CA C 62 61.167 61.167 63.795 -2.628 18292 11633 1 19 . 1 1 62 62 PRO CB C 62 29.450 29.450 31.923 -2.473 18292 11634 1 19 . 1 1 63 63 SER N N 63 108.558 108.558 113.583 -5.025 18292 11635 1 19 . 1 1 63 63 SER HA H 63 4.606 4.606 4.652 -0.046 18292 11636 1 19 . 1 1 63 63 SER C C 63 171.147 171.147 174.436 -3.289 18292 11637 1 19 . 1 1 63 63 SER CA C 63 53.259 53.259 57.092 -3.833 18292 11638 1 19 . 1 1 63 63 SER CB C 63 63.378 63.378 66.424 -3.046 18292 11639 1 19 . 1 1 63 63 SER H H 63 6.990 6.990 7.695 -0.705 18292 11640 1 19 . 1 1 64 64 ILE N N 64 122.885 122.885 122.974 -0.089 18292 11641 1 19 . 1 1 64 64 ILE HA H 64 3.462 3.462 3.797 -0.335 18292 11642 1 19 . 1 1 64 64 ILE C C 64 174.204 174.204 177.593 -3.389 18292 11643 1 19 . 1 1 64 64 ILE CA C 64 62.955 62.955 65.116 -2.161 18292 11644 1 19 . 1 1 64 64 ILE CB C 64 35.297 35.297 37.670 -2.373 18292 11645 1 19 . 1 1 64 64 ILE H H 64 8.786 8.786 8.884 -0.098 18292 11646 1 19 . 1 1 65 65 ALA N N 65 120.653 120.653 122.572 -1.919 18292 11647 1 19 . 1 1 65 65 ALA HA H 65 3.890 3.890 3.910 -0.020 18292 11648 1 19 . 1 1 65 65 ALA C C 65 177.926 177.926 179.167 -1.241 18292 11649 1 19 . 1 1 65 65 ALA CA C 65 52.772 52.772 55.131 -2.359 18292 11650 1 19 . 1 1 65 65 ALA CB C 65 15.552 15.552 17.821 -2.269 18292 11651 1 19 . 1 1 65 65 ALA H H 65 8.287 8.287 8.459 -0.172 18292 11652 1 19 . 1 1 66 66 ALA N N 66 119.802 119.802 121.103 -1.301 18292 11653 1 19 . 1 1 66 66 ALA HA H 66 4.344 4.344 4.149 0.195 18292 11654 1 19 . 1 1 66 66 ALA C C 66 176.063 176.063 179.190 -3.127 18292 11655 1 19 . 1 1 66 66 ALA CA C 66 52.108 52.108 54.724 -2.616 18292 11656 1 19 . 1 1 66 66 ALA CB C 66 16.106 16.106 18.503 -2.397 18292 11657 1 19 . 1 1 66 66 ALA H H 66 7.952 7.952 7.531 0.421 18292 11658 1 19 . 1 1 67 67 ALA N N 67 121.626 121.626 122.012 -0.386 18292 11659 1 19 . 1 1 67 67 ALA HA H 67 4.398 4.398 3.808 0.590 18292 11660 1 19 . 1 1 67 67 ALA C C 67 175.824 175.824 179.352 -3.528 18292 11661 1 19 . 1 1 67 67 ALA CA C 67 53.135 53.135 54.707 -1.572 18292 11662 1 19 . 1 1 67 67 ALA CB C 67 17.020 17.020 18.185 -1.165 18292 11663 1 19 . 1 1 67 67 ALA H H 67 7.332 7.332 7.399 -0.067 18292 11664 1 19 . 1 1 68 68 ILE N N 68 117.793 117.793 119.627 -1.834 18292 11665 1 19 . 1 1 68 68 ILE HA H 68 4.185 4.185 3.628 0.557 18292 11666 1 19 . 1 1 68 68 ILE C C 68 176.163 176.163 177.949 -1.786 18292 11667 1 19 . 1 1 68 68 ILE CA C 68 61.323 61.323 65.244 -3.921 18292 11668 1 19 . 1 1 68 68 ILE CB C 68 36.657 36.657 37.772 -1.115 18292 11669 1 19 . 1 1 68 68 ILE H H 68 8.655 8.655 8.572 0.083 18292 11670 1 19 . 1 1 69 69 ALA N N 69 119.051 119.051 120.352 -1.301 18292 11671 1 19 . 1 1 69 69 ALA HA H 69 3.836 3.836 3.823 0.013 18292 11672 1 19 . 1 1 69 69 ALA C C 69 177.325 177.325 179.218 -1.893 18292 11673 1 19 . 1 1 69 69 ALA CA C 69 51.781 51.781 54.748 -2.967 18292 11674 1 19 . 1 1 69 69 ALA CB C 69 15.767 15.767 17.825 -2.058 18292 11675 1 19 . 1 1 69 69 ALA H H 69 7.377 7.377 7.344 0.033 18292 11676 1 19 . 1 1 70 70 ALA N N 70 121.378 121.378 121.927 -0.549 18292 11677 1 19 . 1 1 70 70 ALA HA H 70 3.544 3.544 3.738 -0.194 18292 11678 1 19 . 1 1 70 70 ALA C C 70 176.012 176.012 179.064 -3.052 18292 11679 1 19 . 1 1 70 70 ALA CA C 70 52.966 52.966 54.603 -1.637 18292 11680 1 19 . 1 1 70 70 ALA CB C 70 16.740 16.740 17.790 -1.050 18292 11681 1 19 . 1 1 70 70 ALA H H 70 7.798 7.798 7.542 0.256 18292 11682 1 19 . 1 1 71 71 VAL N N 71 119.944 119.944 118.163 1.781 18292 11683 1 19 . 1 1 71 71 VAL HA H 71 2.524 2.524 3.052 -0.528 18292 11684 1 19 . 1 1 71 71 VAL C C 71 175.408 175.408 177.988 -2.580 18292 11685 1 19 . 1 1 71 71 VAL CA C 71 64.993 64.993 66.857 -1.864 18292 11686 1 19 . 1 1 71 71 VAL CB C 71 28.184 28.184 31.029 -2.845 18292 11687 1 19 . 1 1 71 71 VAL H H 71 8.662 8.662 7.705 0.958 18292 11688 1 19 . 1 1 72 72 ASN N N 72 114.981 114.981 116.808 -1.827 18292 11689 1 19 . 1 1 72 72 ASN HA H 72 4.244 4.244 4.359 -0.115 18292 11690 1 19 . 1 1 72 72 ASN C C 72 174.490 174.490 176.449 -1.959 18292 11691 1 19 . 1 1 72 72 ASN CA C 72 52.776 52.776 55.849 -3.073 18292 11692 1 19 . 1 1 72 72 ASN CB C 72 35.394 35.394 38.358 -2.964 18292 11693 1 19 . 1 1 72 72 ASN H H 72 8.061 8.061 8.101 -0.040 18292 11694 1 19 . 1 1 73 73 ALA N N 73 120.308 120.308 121.846 -1.538 18292 11695 1 19 . 1 1 73 73 ALA HA H 73 4.162 4.162 4.185 -0.023 18292 11696 1 19 . 1 1 73 73 ALA C C 73 176.245 176.245 178.903 -2.658 18292 11697 1 19 . 1 1 73 73 ALA CA C 73 51.058 51.058 54.265 -3.207 18292 11698 1 19 . 1 1 73 73 ALA CB C 73 17.457 17.457 18.971 -1.514 18292 11699 1 19 . 1 1 73 73 ALA H H 73 7.230 7.230 7.671 -0.441 18292 11700 1 19 . 1 1 74 74 LEU N N 74 118.156 118.156 116.860 1.296 18292 11701 1 19 . 1 1 74 74 LEU HA H 74 4.021 4.021 4.103 -0.082 18292 11702 1 19 . 1 1 74 74 LEU C C 74 173.863 173.863 177.868 -4.005 18292 11703 1 19 . 1 1 74 74 LEU CA C 74 53.853 53.853 57.329 -3.476 18292 11704 1 19 . 1 1 74 74 LEU CB C 74 41.552 41.552 42.377 -0.825 18292 11705 1 19 . 1 1 74 74 LEU H H 74 7.856 7.856 7.855 0.001 18292 11706 1 19 . 1 1 75 75 HIS N N 75 117.126 117.126 118.469 -1.343 18292 11707 1 19 . 1 1 75 75 HIS HA H 75 3.830 3.830 4.306 -0.476 18292 11708 1 19 . 1 1 75 75 HIS C C 75 174.851 174.851 175.897 -1.046 18292 11709 1 19 . 1 1 75 75 HIS CA C 75 56.621 56.621 57.738 -1.117 18292 11710 1 19 . 1 1 75 75 HIS CB C 75 28.299 28.299 28.810 -0.511 18292 11711 1 19 . 1 1 75 75 HIS H H 75 8.434 8.434 8.106 0.328 18292 11712 1 19 . 1 1 76 76 GLY N N 76 116.761 116.761 114.826 1.935 18292 11713 1 19 . 1 1 76 76 GLY CA C 76 42.221 42.221 44.566 -2.345 18292 11714 1 19 . 1 1 76 76 GLY H H 76 8.418 8.418 8.654 -0.236 18292 11715 1 19 . 1 1 77 77 ARG N N 77 120.430 120.430 120.603 -0.173 18292 11716 1 19 . 1 1 77 77 ARG HA H 77 4.248 4.248 4.377 -0.129 18292 11717 1 19 . 1 1 77 77 ARG C C 77 173.536 173.536 174.972 -1.436 18292 11718 1 19 . 1 1 77 77 ARG CA C 77 53.029 53.029 56.571 -3.542 18292 11719 1 19 . 1 1 77 77 ARG CB C 77 29.058 29.058 31.517 -2.459 18292 11720 1 19 . 1 1 77 77 ARG H H 77 7.385 7.385 7.832 -0.447 18292 11721 1 19 . 1 1 78 78 TRP N N 78 122.989 122.989 121.206 1.783 18292 11722 1 19 . 1 1 78 78 TRP HA H 78 4.941 4.941 5.061 -0.120 18292 11723 1 19 . 1 1 78 78 TRP C C 78 173.888 173.888 176.081 -2.193 18292 11724 1 19 . 1 1 78 78 TRP CA C 78 54.234 54.234 56.606 -2.372 18292 11725 1 19 . 1 1 78 78 TRP CB C 78 26.923 26.923 30.143 -3.220 18292 11726 1 19 . 1 1 78 78 TRP H H 78 8.463 8.463 8.516 -0.053 18292 11727 1 19 . 1 1 79 79 PHE N N 79 126.899 126.899 125.256 1.643 18292 11728 1 19 . 1 1 79 79 PHE HA H 79 4.637 4.637 4.477 0.160 18292 11729 1 19 . 1 1 79 79 PHE C C 79 171.696 171.696 176.677 -4.981 18292 11730 1 19 . 1 1 79 79 PHE CA C 79 54.624 54.624 58.436 -3.812 18292 11731 1 19 . 1 1 79 79 PHE CB C 79 39.577 39.577 40.720 -1.143 18292 11732 1 19 . 1 1 79 79 PHE H H 79 9.500 9.500 9.009 0.491 18292 11733 1 19 . 1 1 80 80 ALA N N 80 130.285 130.285 123.594 6.691 18292 11734 1 19 . 1 1 80 80 ALA HA H 80 3.705 3.705 4.130 -0.425 18292 11735 1 19 . 1 1 80 80 ALA C C 80 174.560 174.560 176.831 -2.271 18292 11736 1 19 . 1 1 80 80 ALA CA C 80 49.993 49.993 52.531 -2.538 18292 11737 1 19 . 1 1 80 80 ALA CB C 80 14.479 14.479 16.847 -2.368 18292 11738 1 19 . 1 1 80 80 ALA H H 80 8.840 8.840 7.996 0.844 18292 11739 1 19 . 1 1 81 81 GLY N N 81 102.771 102.771 108.291 -5.520 18292 11740 1 19 . 1 1 81 81 GLY C C 81 171.087 171.087 173.588 -2.501 18292 11741 1 19 . 1 1 81 81 GLY CA C 81 42.891 42.891 45.193 -2.302 18292 11742 1 19 . 1 1 81 81 GLY H H 81 8.268 8.268 8.409 -0.141 18292 11743 1 19 . 1 1 82 82 LYS N N 82 120.307 120.307 117.746 2.561 18292 11744 1 19 . 1 1 82 82 LYS HA H 82 4.469 4.469 4.665 -0.196 18292 11745 1 19 . 1 1 82 82 LYS C C 82 170.688 170.688 174.044 -3.356 18292 11746 1 19 . 1 1 82 82 LYS CA C 82 52.029 52.029 54.144 -2.115 18292 11747 1 19 . 1 1 82 82 LYS CB C 82 32.776 32.776 34.849 -2.073 18292 11748 1 19 . 1 1 82 82 LYS H H 82 7.791 7.791 7.714 0.077 18292 11749 1 19 . 1 1 83 83 MET N N 83 121.212 121.212 124.360 -3.148 18292 11750 1 19 . 1 1 83 83 MET HA H 83 3.871 3.871 4.107 -0.236 18292 11751 1 19 . 1 1 83 83 MET C C 83 173.474 173.474 175.007 -1.533 18292 11752 1 19 . 1 1 83 83 MET CA C 83 51.968 51.968 54.603 -2.635 18292 11753 1 19 . 1 1 83 83 MET CB C 83 30.275 30.275 32.305 -2.030 18292 11754 1 19 . 1 1 83 83 MET H H 83 7.953 7.953 8.504 -0.551 18292 11755 1 19 . 1 1 84 84 ILE N N 84 128.512 128.512 128.687 -0.175 18292 11756 1 19 . 1 1 84 84 ILE HA H 84 4.230 4.230 3.943 0.287 18292 11757 1 19 . 1 1 84 84 ILE C C 84 173.459 173.459 175.164 -1.705 18292 11758 1 19 . 1 1 84 84 ILE CA C 84 58.832 58.832 60.902 -2.070 18292 11759 1 19 . 1 1 84 84 ILE CB C 84 36.088 36.088 37.071 -0.983 18292 11760 1 19 . 1 1 84 84 ILE H H 84 8.683 8.683 8.485 0.198 18292 11761 1 19 . 1 1 85 85 THR N N 85 115.456 115.456 117.699 -2.243 18292 11762 1 19 . 1 1 85 85 THR HA H 85 4.825 4.825 4.241 0.584 18292 11763 1 19 . 1 1 85 85 THR CA C 85 56.520 56.520 59.781 -3.260 18292 11764 1 19 . 1 1 85 85 THR CB C 85 68.803 68.803 71.407 -2.604 18292 11765 1 19 . 1 1 85 85 THR H H 85 7.318 7.318 7.853 -0.535 18292 11766 1 19 . 1 1 86 86 ALA N N 86 128.004 128.004 123.642 4.362 18292 11767 1 19 . 1 1 86 86 ALA HA H 86 5.542 5.542 5.534 0.008 18292 11768 1 19 . 1 1 86 86 ALA C C 86 173.070 173.070 175.155 -2.085 18292 11769 1 19 . 1 1 86 86 ALA CA C 86 47.491 47.491 50.107 -2.616 18292 11770 1 19 . 1 1 86 86 ALA CB C 86 22.241 22.241 22.628 -0.387 18292 11771 1 19 . 1 1 86 86 ALA H H 86 10.712 10.712 8.524 2.188 18292 11772 1 19 . 1 1 87 87 ALA N N 87 122.902 122.902 120.528 2.374 18292 11773 1 19 . 1 1 87 87 ALA HA H 87 4.499 4.499 4.874 -0.375 18292 11774 1 19 . 1 1 87 87 ALA C C 87 173.781 173.781 174.914 -1.133 18292 11775 1 19 . 1 1 87 87 ALA CA C 87 47.989 47.989 51.531 -3.542 18292 11776 1 19 . 1 1 87 87 ALA CB C 87 19.981 19.981 21.948 -1.967 18292 11777 1 19 . 1 1 87 87 ALA H H 87 8.413 8.413 8.614 -0.201 18292 11778 1 19 . 1 1 88 88 TYR N N 88 120.267 120.267 120.362 -0.095 18292 11779 1 19 . 1 1 88 88 TYR HA H 88 4.723 4.723 4.851 -0.128 18292 11780 1 19 . 1 1 88 88 TYR C C 88 173.615 173.615 176.557 -2.942 18292 11781 1 19 . 1 1 88 88 TYR CA C 88 57.556 57.556 58.071 -0.515 18292 11782 1 19 . 1 1 88 88 TYR CB C 88 36.474 36.474 39.728 -3.254 18292 11783 1 19 . 1 1 88 88 TYR H H 88 8.311 8.311 8.701 -0.390 18292 11784 1 19 . 1 1 89 89 VAL N N 89 123.298 123.298 116.521 6.777 18292 11785 1 19 . 1 1 89 89 VAL HA H 89 4.696 4.696 4.743 -0.047 18292 11786 1 19 . 1 1 89 89 VAL CA C 89 55.899 55.899 58.297 -2.398 18292 11787 1 19 . 1 1 89 89 VAL CB C 89 33.445 33.445 33.168 0.277 18292 11788 1 19 . 1 1 89 89 VAL H H 89 8.420 8.420 8.376 0.044 18292 11789 1 19 . 1 1 90 90 PRO HA H 90 4.450 4.450 4.622 -0.172 18292 11790 1 19 . 1 1 90 90 PRO CA C 90 60.310 60.310 62.537 -2.227 18292 11791 1 19 . 1 1 90 90 PRO CB C 90 30.489 30.489 31.313 -0.824 18292 11792 1 19 . 1 1 91 91 LEU N N 91 126.649 126.649 127.628 -0.979 18292 11793 1 19 . 1 1 91 91 LEU HA H 91 3.975 3.975 4.010 -0.035 18292 11794 1 19 . 1 1 91 91 LEU CA C 91 56.691 56.691 59.822 -3.131 18292 11795 1 19 . 1 1 91 91 LEU CB C 91 37.139 37.139 39.642 -2.503 18292 11796 1 19 . 1 1 91 91 LEU H H 91 8.997 8.997 8.545 0.452 18292 11797 1 19 . 1 1 92 92 PRO HA H 92 4.211 4.211 4.308 -0.097 18292 11798 1 19 . 1 1 92 92 PRO C C 92 177.175 177.175 178.618 -1.443 18292 11799 1 19 . 1 1 92 92 PRO CA C 92 63.104 63.104 65.774 -2.670 18292 11800 1 19 . 1 1 92 92 PRO CB C 92 27.973 27.973 31.093 -3.119 18292 11801 1 19 . 1 1 93 93 THR N N 93 112.839 112.839 116.780 -3.941 18292 11802 1 19 . 1 1 93 93 THR HA H 93 3.827 3.827 4.229 -0.402 18292 11803 1 19 . 1 1 93 93 THR C C 93 172.669 172.669 176.296 -3.627 18292 11804 1 19 . 1 1 93 93 THR CA C 93 63.096 63.096 66.957 -3.861 18292 11805 1 19 . 1 1 93 93 THR CB C 93 65.968 65.968 68.867 -2.899 18292 11806 1 19 . 1 1 93 93 THR H H 93 6.528 6.528 7.751 -1.223 18292 11807 1 19 . 1 1 94 94 TYR N N 94 125.195 125.195 123.639 1.556 18292 11808 1 19 . 1 1 94 94 TYR HA H 94 3.515 3.515 4.341 -0.826 18292 11809 1 19 . 1 1 94 94 TYR C C 94 174.953 174.953 177.842 -2.889 18292 11810 1 19 . 1 1 94 94 TYR CA C 94 60.012 60.012 62.148 -2.135 18292 11811 1 19 . 1 1 94 94 TYR CB C 94 37.588 37.588 38.596 -1.008 18292 11812 1 19 . 1 1 94 94 TYR H H 94 8.263 8.263 8.399 -0.136 18292 11813 1 19 . 1 1 95 95 HIS N N 95 114.994 114.994 117.685 -2.691 18292 11814 1 19 . 1 1 95 95 HIS HA H 95 4.187 4.187 4.495 -0.308 18292 11815 1 19 . 1 1 95 95 HIS C C 95 173.780 173.780 177.592 -3.812 18292 11816 1 19 . 1 1 95 95 HIS CA C 95 53.471 53.471 58.601 -5.130 18292 11817 1 19 . 1 1 95 95 HIS CB C 95 26.528 26.528 29.247 -2.719 18292 11818 1 19 . 1 1 95 95 HIS H H 95 8.529 8.529 8.977 -0.448 18292 11819 1 19 . 1 1 96 96 ASN N N 96 116.599 116.599 116.946 -0.347 18292 11820 1 19 . 1 1 96 96 ASN HA H 96 4.315 4.315 4.576 -0.261 18292 11821 1 19 . 1 1 96 96 ASN C C 96 175.849 175.849 177.607 -1.758 18292 11822 1 19 . 1 1 96 96 ASN CA C 96 52.814 52.814 55.473 -2.659 18292 11823 1 19 . 1 1 96 96 ASN CB C 96 36.453 36.453 38.503 -2.050 18292 11824 1 19 . 1 1 96 96 ASN H H 96 7.343 7.343 7.756 -0.413 18292 11825 1 19 . 1 1 97 97 LEU N N 97 119.316 119.316 118.141 1.175 18292 11826 1 19 . 1 1 97 97 LEU HA H 97 3.406 3.406 3.997 -0.591 18292 11827 1 19 . 1 1 97 97 LEU CA C 97 54.399 54.399 57.127 -2.728 18292 11828 1 19 . 1 1 97 97 LEU CB C 97 39.614 39.614 42.583 -2.969 18292 11829 1 19 . 1 1 97 97 LEU H H 97 7.299 7.299 7.838 -0.539 18292 11830 1 19 . 1 1 98 98 PHE N N 98 113.688 113.688 116.037 -2.349 18292 11831 1 19 . 1 1 98 98 PHE HA H 98 4.696 4.696 4.960 -0.264 18292 11832 1 19 . 1 1 98 98 PHE CA C 98 54.399 54.399 55.180 -0.781 18292 11833 1 19 . 1 1 98 98 PHE CB C 98 35.380 35.380 39.025 -3.645 18292 11834 1 19 . 1 1 98 98 PHE H H 98 7.795 7.795 8.444 -0.649 18292 11835 1 19 . 1 1 99 99 PRO HA H 99 4.430 4.430 4.422 0.008 18292 11836 1 19 . 1 1 99 99 PRO C C 99 176.469 176.469 178.268 -1.799 18292 11837 1 19 . 1 1 99 99 PRO CA C 99 63.174 63.174 65.214 -2.040 18292 11838 1 19 . 1 1 99 99 PRO CB C 99 28.822 28.822 31.972 -3.150 18292 11839 1 19 . 1 1 100 100 ASP N N 100 115.482 115.482 115.916 -0.434 18292 11840 1 19 . 1 1 100 100 ASP HA H 100 4.306 4.306 4.535 -0.229 18292 11841 1 19 . 1 1 100 100 ASP C C 100 174.886 174.886 178.060 -3.174 18292 11842 1 19 . 1 1 100 100 ASP CA C 100 53.064 53.064 56.821 -3.757 18292 11843 1 19 . 1 1 100 100 ASP CB C 100 36.736 36.736 40.910 -4.174 18292 11844 1 19 . 1 1 100 100 ASP H H 100 8.897 8.897 8.680 0.217 18292 11845 1 19 . 1 1 101 101 SER N N 101 114.743 114.743 115.314 -0.571 18292 11846 1 19 . 1 1 101 101 SER HA H 101 3.876 3.876 4.288 -0.412 18292 11847 1 19 . 1 1 101 101 SER C C 101 173.539 173.539 175.626 -2.087 18292 11848 1 19 . 1 1 101 101 SER CA C 101 58.183 58.183 61.148 -2.965 18292 11849 1 19 . 1 1 101 101 SER CB C 101 61.403 61.403 62.814 -1.411 18292 11850 1 19 . 1 1 101 101 SER H H 101 8.057 8.057 7.917 0.140 18292 11851 1 19 . 1 1 102 102 MET N N 102 122.103 122.103 116.891 5.212 18292 11852 1 19 . 1 1 102 102 MET HA H 102 3.340 3.340 4.665 -1.325 18292 11853 1 19 . 1 1 102 102 MET C C 102 174.488 174.488 176.549 -2.061 18292 11854 1 19 . 1 1 102 102 MET CA C 102 56.606 56.606 56.890 -0.284 18292 11855 1 19 . 1 1 102 102 MET CB C 102 31.312 31.312 32.607 -1.295 18292 11856 1 19 . 1 1 102 102 MET H H 102 7.319 7.319 7.483 -0.164 18292 11857 1 19 . 1 1 103 103 THR N N 103 104.780 104.780 111.422 -6.642 18292 11858 1 19 . 1 1 103 103 THR HA H 103 4.318 4.318 4.471 -0.153 18292 11859 1 19 . 1 1 103 103 THR C C 103 171.121 171.121 174.325 -3.204 18292 11860 1 19 . 1 1 103 103 THR CA C 103 57.203 57.203 61.274 -4.071 18292 11861 1 19 . 1 1 103 103 THR CB C 103 65.753 65.753 69.956 -4.203 18292 11862 1 19 . 1 1 103 103 THR H H 103 7.216 7.216 7.743 -0.527 18292 11863 1 19 . 1 1 104 104 ALA N N 104 125.795 125.795 125.662 0.133 18292 11864 1 19 . 1 1 104 104 ALA HA H 104 4.347 4.347 4.367 -0.020 18292 11865 1 19 . 1 1 104 104 ALA C C 104 174.370 174.370 177.142 -2.772 18292 11866 1 19 . 1 1 104 104 ALA CA C 104 50.244 50.244 52.778 -2.534 18292 11867 1 19 . 1 1 104 104 ALA CB C 104 16.077 16.077 18.985 -2.908 18292 11868 1 19 . 1 1 104 104 ALA H H 104 6.605 6.605 7.305 -0.700 18292 11869 1 19 . 1 1 105 105 THR N N 105 111.482 111.482 117.471 -5.989 18292 11870 1 19 . 1 1 105 105 THR HA H 105 4.390 4.390 4.478 -0.088 18292 11871 1 19 . 1 1 105 105 THR C C 105 171.563 171.563 173.463 -1.900 18292 11872 1 19 . 1 1 105 105 THR CA C 105 58.977 58.977 61.330 -2.353 18292 11873 1 19 . 1 1 105 105 THR CB C 105 68.537 68.537 68.756 -0.219 18292 11874 1 19 . 1 1 105 105 THR H H 105 8.698 8.698 8.479 0.219 18292 11875 1 19 . 1 1 106 106 GLN N N 106 123.003 123.003 119.525 3.478 18292 11876 1 19 . 1 1 106 106 GLN HA H 106 4.294 4.294 4.543 -0.249 18292 11877 1 19 . 1 1 106 106 GLN C C 106 172.973 172.973 174.108 -1.135 18292 11878 1 19 . 1 1 106 106 GLN CA C 106 52.710 52.710 54.348 -1.638 18292 11879 1 19 . 1 1 106 106 GLN CB C 106 27.282 27.282 30.382 -3.100 18292 11880 1 19 . 1 1 106 106 GLN H H 106 7.944 7.944 7.884 0.060 18292 11881 1 19 . 1 1 107 107 LEU N N 107 124.765 124.765 124.703 0.062 18292 11882 1 19 . 1 1 107 107 LEU HA H 107 4.328 4.328 4.623 -0.295 18292 11883 1 19 . 1 1 107 107 LEU C C 107 174.110 174.110 177.379 -3.269 18292 11884 1 19 . 1 1 107 107 LEU CA C 107 52.798 52.798 54.772 -1.974 18292 11885 1 19 . 1 1 107 107 LEU CB C 107 37.829 37.829 42.725 -4.896 18292 11886 1 19 . 1 1 107 107 LEU H H 107 8.390 8.390 8.586 -0.196 18292 11887 1 19 . 1 1 108 108 LEU N N 108 122.332 122.332 123.503 -1.171 18292 11888 1 19 . 1 1 108 108 LEU HA H 108 4.259 4.259 4.580 -0.321 18292 11889 1 19 . 1 1 108 108 LEU C C 108 173.870 173.870 176.071 -2.201 18292 11890 1 19 . 1 1 108 108 LEU CA C 108 52.092 52.092 54.872 -2.780 18292 11891 1 19 . 1 1 108 108 LEU CB C 108 39.253 39.253 42.742 -3.489 18292 11892 1 19 . 1 1 108 108 LEU H H 108 8.480 8.480 8.621 -0.141 18292 11893 1 19 . 1 1 109 109 VAL N N 109 115.421 115.421 113.351 2.070 18292 11894 1 19 . 1 1 109 109 VAL HA H 109 4.444 4.444 4.531 -0.087 18292 11895 1 19 . 1 1 109 109 VAL CA C 109 55.640 55.640 58.713 -3.073 18292 11896 1 19 . 1 1 109 109 VAL CB C 109 31.153 31.153 32.507 -1.354 18292 11897 1 19 . 1 1 109 109 VAL H H 109 8.007 8.007 7.952 0.055 18292 11898 1 19 . 1 1 110 110 PRO HA H 110 4.361 4.361 4.615 -0.254 18292 11899 1 19 . 1 1 110 110 PRO C C 110 173.778 173.778 175.679 -1.901 18292 11900 1 19 . 1 1 110 110 PRO CA C 110 59.737 59.737 62.971 -3.234 18292 11901 1 19 . 1 1 110 110 PRO CB C 110 29.710 29.710 32.752 -3.042 18292 11902 1 19 . 1 1 111 111 SER N N 111 120.434 120.434 117.063 3.371 18292 11903 1 19 . 1 1 111 111 SER HA H 111 4.139 4.139 4.520 -0.381 18292 11904 1 19 . 1 1 111 111 SER C C 111 172.475 172.475 174.278 -1.803 18292 11905 1 19 . 1 1 111 111 SER CA C 111 57.674 57.674 58.643 -0.969 18292 11906 1 19 . 1 1 111 111 SER CB C 111 60.580 60.580 64.845 -4.265 18292 11907 1 19 . 1 1 111 111 SER H H 111 9.945 9.945 9.166 0.779 18292 11908 1 19 . 1 1 112 112 ARG N N 112 121.013 121.013 121.079 -0.066 18292 11909 1 19 . 1 1 112 112 ARG HA H 112 4.253 4.253 4.426 -0.173 18292 11910 1 19 . 1 1 112 112 ARG C C 112 172.216 172.216 173.450 -1.234 18292 11911 1 19 . 1 1 112 112 ARG CA C 112 53.071 53.071 56.393 -3.322 18292 11912 1 19 . 1 1 112 112 ARG CB C 112 27.963 27.963 31.376 -3.413 18292 11913 1 19 . 1 1 112 112 ARG H H 112 7.861 7.861 8.601 -0.740 18292 11914 1 20 . 1 1 2 2 GLN N N 2 125.719 125.719 127.448 -1.729 18292 11915 1 20 . 1 1 2 2 GLN HA H 2 4.571 4.571 4.650 -0.079 18292 11916 1 20 . 1 1 2 2 GLN CA C 2 50.502 50.502 54.924 -4.422 18292 11917 1 20 . 1 1 2 2 GLN CB C 2 26.254 26.254 30.614 -4.360 18292 11918 1 20 . 1 1 2 2 GLN H H 2 8.471 8.471 8.501 -0.030 18292 11919 1 20 . 1 1 3 3 PRO HA H 3 4.311 4.311 4.480 -0.169 18292 11920 1 20 . 1 1 3 3 PRO C C 3 173.634 173.634 175.771 -2.137 18292 11921 1 20 . 1 1 3 3 PRO CA C 3 60.349 60.349 62.774 -2.425 18292 11922 1 20 . 1 1 3 3 PRO CB C 3 29.678 29.678 30.477 -0.799 18292 11923 1 20 . 1 1 4 4 LEU N N 4 122.253 122.253 124.439 -2.186 18292 11924 1 20 . 1 1 4 4 LEU HA H 4 4.133 4.133 4.483 -0.350 18292 11925 1 20 . 1 1 4 4 LEU C C 4 172.946 172.946 175.799 -2.853 18292 11926 1 20 . 1 1 4 4 LEU CA C 4 51.900 51.900 54.501 -2.601 18292 11927 1 20 . 1 1 4 4 LEU CB C 4 39.711 39.711 43.051 -3.340 18292 11928 1 20 . 1 1 4 4 LEU H H 4 7.912 7.912 7.535 0.377 18292 11929 1 20 . 1 1 5 5 ALA N N 5 122.619 122.619 128.583 -5.964 18292 11930 1 20 . 1 1 5 5 ALA HA H 5 2.385 2.385 4.408 -2.023 18292 11931 1 20 . 1 1 5 5 ALA C C 5 174.164 174.164 176.852 -2.688 18292 11932 1 20 . 1 1 5 5 ALA CA C 5 49.205 49.205 52.665 -3.460 18292 11933 1 20 . 1 1 5 5 ALA CB C 5 17.058 17.058 18.502 -1.444 18292 11934 1 20 . 1 1 5 5 ALA H H 5 7.415 7.415 8.596 -1.181 18292 11935 1 20 . 1 1 6 6 THR N N 6 112.768 112.768 115.156 -2.388 18292 11936 1 20 . 1 1 6 6 THR HA H 6 4.393 4.393 4.638 -0.245 18292 11937 1 20 . 1 1 6 6 THR C C 6 168.908 168.908 175.470 -6.562 18292 11938 1 20 . 1 1 6 6 THR CA C 6 56.371 56.371 60.019 -3.648 18292 11939 1 20 . 1 1 6 6 THR CB C 6 68.874 68.874 71.623 -2.749 18292 11940 1 20 . 1 1 6 6 THR H H 6 6.601 6.601 7.928 -1.327 18292 11941 1 20 . 1 1 7 7 GLN N N 7 111.707 111.707 117.296 -5.589 18292 11942 1 20 . 1 1 7 7 GLN HA H 7 4.344 4.344 4.384 -0.040 18292 11943 1 20 . 1 1 7 7 GLN C C 7 171.068 171.068 174.874 -3.806 18292 11944 1 20 . 1 1 7 7 GLN CA C 7 53.795 53.795 56.404 -2.609 18292 11945 1 20 . 1 1 7 7 GLN CB C 7 28.252 28.252 27.810 0.442 18292 11946 1 20 . 1 1 7 7 GLN H H 7 8.547 8.547 8.651 -0.104 18292 11947 1 20 . 1 1 8 8 CYS N N 8 118.669 118.669 117.631 1.038 18292 11948 1 20 . 1 1 8 8 CYS HA H 8 5.389 5.389 5.039 0.350 18292 11949 1 20 . 1 1 8 8 CYS C C 8 171.026 171.026 173.867 -2.841 18292 11950 1 20 . 1 1 8 8 CYS CA C 8 53.652 53.652 58.556 -4.904 18292 11951 1 20 . 1 1 8 8 CYS CB C 8 29.416 29.416 31.538 -2.122 18292 11952 1 20 . 1 1 8 8 CYS H H 8 8.558 8.558 7.504 1.054 18292 11953 1 20 . 1 1 9 9 PHE N N 9 117.117 117.117 117.876 -0.759 18292 11954 1 20 . 1 1 9 9 PHE HA H 9 5.369 5.369 5.130 0.239 18292 11955 1 20 . 1 1 9 9 PHE C C 9 168.313 168.313 172.422 -4.109 18292 11956 1 20 . 1 1 9 9 PHE CA C 9 53.341 53.341 56.394 -3.053 18292 11957 1 20 . 1 1 9 9 PHE CB C 9 39.008 39.008 41.432 -2.424 18292 11958 1 20 . 1 1 9 9 PHE H H 9 9.533 9.533 8.561 0.972 18292 11959 1 20 . 1 1 10 10 GLN N N 10 118.344 118.344 116.758 1.586 18292 11960 1 20 . 1 1 10 10 GLN HA H 10 5.063 5.063 5.060 0.003 18292 11961 1 20 . 1 1 10 10 GLN C C 10 173.280 173.280 174.620 -1.340 18292 11962 1 20 . 1 1 10 10 GLN CA C 10 50.242 50.242 54.017 -3.775 18292 11963 1 20 . 1 1 10 10 GLN CB C 10 30.263 30.263 32.161 -1.898 18292 11964 1 20 . 1 1 10 10 GLN H H 10 9.299 9.299 9.084 0.215 18292 11965 1 20 . 1 1 11 11 LEU N N 11 128.664 128.664 122.636 6.028 18292 11966 1 20 . 1 1 11 11 LEU HA H 11 5.474 5.474 5.047 0.427 18292 11967 1 20 . 1 1 11 11 LEU C C 11 173.987 173.987 177.686 -3.699 18292 11968 1 20 . 1 1 11 11 LEU CA C 11 50.153 50.153 54.179 -4.026 18292 11969 1 20 . 1 1 11 11 LEU CB C 11 41.779 41.779 43.608 -1.829 18292 11970 1 20 . 1 1 11 11 LEU H H 11 9.679 9.679 7.995 1.684 18292 11971 1 20 . 1 1 12 12 SER N N 12 115.661 115.661 115.284 0.377 18292 11972 1 20 . 1 1 12 12 SER HA H 12 4.877 4.877 4.548 0.329 18292 11973 1 20 . 1 1 12 12 SER C C 12 170.086 170.086 172.693 -2.607 18292 11974 1 20 . 1 1 12 12 SER CA C 12 54.698 54.698 58.606 -3.908 18292 11975 1 20 . 1 1 12 12 SER CB C 12 63.054 63.054 63.407 -0.353 18292 11976 1 20 . 1 1 12 12 SER H H 12 8.717 8.717 8.404 0.313 18292 11977 1 20 . 1 1 13 13 ASN N N 13 114.812 114.812 118.433 -3.621 18292 11978 1 20 . 1 1 13 13 ASN HA H 13 4.165 4.165 4.755 -0.590 18292 11979 1 20 . 1 1 13 13 ASN C C 13 171.867 171.867 173.519 -1.652 18292 11980 1 20 . 1 1 13 13 ASN CA C 13 51.269 51.269 53.693 -2.424 18292 11981 1 20 . 1 1 13 13 ASN CB C 13 34.988 34.988 38.829 -3.841 18292 11982 1 20 . 1 1 13 13 ASN H H 13 8.563 8.563 8.371 0.192 18292 11983 1 20 . 1 1 14 14 MET N N 14 113.100 113.100 117.567 -4.467 18292 11984 1 20 . 1 1 14 14 MET HA H 14 4.258 4.258 4.349 -0.091 18292 11985 1 20 . 1 1 14 14 MET C C 14 171.935 171.935 174.519 -2.584 18292 11986 1 20 . 1 1 14 14 MET CA C 14 53.020 53.020 56.066 -3.046 18292 11987 1 20 . 1 1 14 14 MET CB C 14 29.746 29.746 35.231 -5.485 18292 11988 1 20 . 1 1 14 14 MET H H 14 8.261 8.261 7.477 0.784 18292 11989 1 20 . 1 1 15 15 PHE N N 15 108.769 108.769 112.580 -3.811 18292 11990 1 20 . 1 1 15 15 PHE HA H 15 4.485 4.485 4.754 -0.269 18292 11991 1 20 . 1 1 15 15 PHE C C 15 170.024 170.024 172.718 -2.694 18292 11992 1 20 . 1 1 15 15 PHE CA C 15 53.080 53.080 56.392 -3.312 18292 11993 1 20 . 1 1 15 15 PHE CB C 15 36.300 36.300 40.661 -4.361 18292 11994 1 20 . 1 1 15 15 PHE H H 15 6.804 6.804 6.902 -0.098 18292 11995 1 20 . 1 1 16 16 ASN N N 16 117.922 117.922 118.786 -0.864 18292 11996 1 20 . 1 1 16 16 ASN HA H 16 4.932 4.932 5.247 -0.315 18292 11997 1 20 . 1 1 16 16 ASN CA C 16 47.510 47.510 50.329 -2.819 18292 11998 1 20 . 1 1 16 16 ASN CB C 16 36.512 36.512 39.778 -3.266 18292 11999 1 20 . 1 1 16 16 ASN H H 16 8.681 8.681 8.282 0.399 18292 12000 1 20 . 1 1 17 17 PRO HA H 17 4.102 4.102 4.394 -0.292 18292 12001 1 20 . 1 1 17 17 PRO C C 17 174.773 174.773 176.497 -1.724 18292 12002 1 20 . 1 1 17 17 PRO CA C 17 61.933 61.933 64.421 -2.488 18292 12003 1 20 . 1 1 17 17 PRO CB C 17 29.557 29.557 32.247 -2.690 18292 12004 1 20 . 1 1 18 18 GLN N N 18 116.462 116.462 116.565 -0.103 18292 12005 1 20 . 1 1 18 18 GLN HA H 18 4.146 4.146 4.557 -0.411 18292 12006 1 20 . 1 1 18 18 GLN C C 18 174.423 174.423 174.795 -0.372 18292 12007 1 20 . 1 1 18 18 GLN CA C 18 54.067 54.067 55.822 -1.755 18292 12008 1 20 . 1 1 18 18 GLN CB C 18 26.326 26.326 28.315 -1.989 18292 12009 1 20 . 1 1 18 18 GLN H H 18 7.934 7.934 8.206 -0.272 18292 12010 1 20 . 1 1 19 19 THR N N 19 112.362 112.362 114.942 -2.580 18292 12011 1 20 . 1 1 19 19 THR HA H 19 4.176 4.176 4.326 -0.150 18292 12012 1 20 . 1 1 19 19 THR C C 19 171.908 171.908 173.164 -1.256 18292 12013 1 20 . 1 1 19 19 THR CA C 19 59.509 59.509 62.412 -2.903 18292 12014 1 20 . 1 1 19 19 THR CB C 19 66.360 66.360 69.899 -3.539 18292 12015 1 20 . 1 1 19 19 THR H H 19 7.723 7.723 7.845 -0.122 18292 12016 1 20 . 1 1 20 20 GLU N N 20 120.326 120.326 121.228 -0.902 18292 12017 1 20 . 1 1 20 20 GLU HA H 20 3.658 3.658 4.222 -0.564 18292 12018 1 20 . 1 1 20 20 GLU C C 20 173.311 173.311 175.594 -2.283 18292 12019 1 20 . 1 1 20 20 GLU CA C 20 53.164 53.164 55.571 -2.407 18292 12020 1 20 . 1 1 20 20 GLU CB C 20 25.837 25.837 28.158 -2.321 18292 12021 1 20 . 1 1 20 20 GLU H H 20 7.312 7.312 8.183 -0.871 18292 12022 1 20 . 1 1 21 21 GLU N N 21 120.796 120.796 122.299 -1.503 18292 12023 1 20 . 1 1 21 21 GLU HA H 21 4.162 4.162 4.400 -0.238 18292 12024 1 20 . 1 1 21 21 GLU C C 21 173.747 173.747 175.413 -1.666 18292 12025 1 20 . 1 1 21 21 GLU CA C 21 53.873 53.873 56.207 -2.334 18292 12026 1 20 . 1 1 21 21 GLU CB C 21 28.445 28.445 30.545 -2.100 18292 12027 1 20 . 1 1 21 21 GLU H H 21 8.011 8.011 8.518 -0.507 18292 12028 1 20 . 1 1 22 22 GLU N N 22 121.370 121.370 118.234 3.136 18292 12029 1 20 . 1 1 22 22 GLU HA H 22 4.393 4.393 4.580 -0.187 18292 12030 1 20 . 1 1 22 22 GLU C C 22 173.536 173.536 175.777 -2.241 18292 12031 1 20 . 1 1 22 22 GLU CA C 22 52.982 52.982 55.206 -2.224 18292 12032 1 20 . 1 1 22 22 GLU CB C 22 28.012 28.012 31.009 -2.998 18292 12033 1 20 . 1 1 22 22 GLU H H 22 8.039 8.039 7.871 0.168 18292 12034 1 20 . 1 1 23 23 VAL N N 23 123.340 123.340 125.135 -1.795 18292 12035 1 20 . 1 1 23 23 VAL HA H 23 3.901 3.901 4.018 -0.117 18292 12036 1 20 . 1 1 23 23 VAL C C 23 175.077 175.077 176.804 -1.727 18292 12037 1 20 . 1 1 23 23 VAL CA C 23 61.540 61.540 63.987 -2.447 18292 12038 1 20 . 1 1 23 23 VAL CB C 23 29.361 29.361 31.738 -2.377 18292 12039 1 20 . 1 1 23 23 VAL H H 23 8.447 8.447 8.839 -0.392 18292 12040 1 20 . 1 1 24 24 GLY N N 24 114.476 114.476 116.388 -1.912 18292 12041 1 20 . 1 1 24 24 GLY C C 24 173.717 173.717 175.159 -1.442 18292 12042 1 20 . 1 1 24 24 GLY CA C 24 42.667 42.667 44.696 -2.029 18292 12043 1 20 . 1 1 24 24 GLY H H 24 9.087 9.087 8.922 0.165 18292 12044 1 20 . 1 1 25 25 TRP N N 25 121.382 121.382 121.060 0.322 18292 12045 1 20 . 1 1 25 25 TRP HA H 25 4.214 4.214 4.738 -0.524 18292 12046 1 20 . 1 1 25 25 TRP C C 25 174.056 174.056 175.493 -1.437 18292 12047 1 20 . 1 1 25 25 TRP CA C 25 56.093 56.093 56.640 -0.547 18292 12048 1 20 . 1 1 25 25 TRP CB C 25 25.016 25.016 27.819 -2.803 18292 12049 1 20 . 1 1 26 26 ASP N N 26 118.789 118.789 121.859 -3.070 18292 12050 1 20 . 1 1 26 26 ASP HA H 26 3.261 3.261 4.331 -1.070 18292 12051 1 20 . 1 1 26 26 ASP C C 26 174.709 174.709 177.218 -2.509 18292 12052 1 20 . 1 1 26 26 ASP CA C 26 52.705 52.705 56.418 -3.713 18292 12053 1 20 . 1 1 26 26 ASP CB C 26 34.503 34.503 41.545 -7.042 18292 12054 1 20 . 1 1 26 26 ASP H H 26 7.939 7.939 7.854 0.085 18292 12055 1 20 . 1 1 27 27 THR N N 27 118.934 118.934 116.644 2.290 18292 12056 1 20 . 1 1 27 27 THR HA H 27 3.552 3.552 4.001 -0.449 18292 12057 1 20 . 1 1 27 27 THR C C 27 172.390 172.390 176.475 -4.085 18292 12058 1 20 . 1 1 27 27 THR CA C 27 63.307 63.307 67.041 -3.734 18292 12059 1 20 . 1 1 27 27 THR CB C 27 65.331 65.331 68.592 -3.261 18292 12060 1 20 . 1 1 27 27 THR H H 27 7.103 7.103 8.140 -1.037 18292 12061 1 20 . 1 1 28 28 GLU N N 28 120.484 120.484 120.982 -0.498 18292 12062 1 20 . 1 1 28 28 GLU HA H 28 3.978 3.978 4.133 -0.155 18292 12063 1 20 . 1 1 28 28 GLU C C 28 175.447 175.447 178.655 -3.208 18292 12064 1 20 . 1 1 28 28 GLU CA C 28 56.760 56.760 60.352 -3.592 18292 12065 1 20 . 1 1 28 28 GLU CB C 28 26.418 26.418 29.213 -2.796 18292 12066 1 20 . 1 1 28 28 GLU H H 28 7.473 7.473 8.738 -1.265 18292 12067 1 20 . 1 1 29 29 ILE N N 29 116.961 116.961 120.180 -3.219 18292 12068 1 20 . 1 1 29 29 ILE HA H 29 3.773 3.773 3.864 -0.091 18292 12069 1 20 . 1 1 29 29 ILE C C 29 174.605 174.605 177.838 -3.233 18292 12070 1 20 . 1 1 29 29 ILE CA C 29 61.243 61.243 65.147 -3.904 18292 12071 1 20 . 1 1 29 29 ILE CB C 29 35.267 35.267 37.672 -2.405 18292 12072 1 20 . 1 1 29 29 ILE H H 29 7.113 7.113 8.082 -0.969 18292 12073 1 20 . 1 1 30 30 LYS N N 30 118.457 118.457 120.832 -2.375 18292 12074 1 20 . 1 1 30 30 LYS HA H 30 3.430 3.430 3.829 -0.399 18292 12075 1 20 . 1 1 30 30 LYS C C 30 174.886 174.886 178.445 -3.559 18292 12076 1 20 . 1 1 30 30 LYS CA C 30 57.872 57.872 60.211 -2.339 18292 12077 1 20 . 1 1 30 30 LYS CB C 30 29.680 29.680 32.054 -2.374 18292 12078 1 20 . 1 1 30 30 LYS H H 30 7.480 7.480 7.910 -0.430 18292 12079 1 20 . 1 1 31 31 ASP N N 31 118.630 118.630 119.721 -1.091 18292 12080 1 20 . 1 1 31 31 ASP HA H 31 4.233 4.233 4.340 -0.107 18292 12081 1 20 . 1 1 31 31 ASP C C 31 175.558 175.558 178.280 -2.722 18292 12082 1 20 . 1 1 31 31 ASP CA C 31 55.137 55.137 58.289 -3.152 18292 12083 1 20 . 1 1 31 31 ASP CB C 31 36.829 36.829 40.787 -3.958 18292 12084 1 20 . 1 1 31 31 ASP H H 31 8.334 8.334 8.320 0.014 18292 12085 1 20 . 1 1 32 32 ASP N N 32 120.576 120.576 119.635 0.941 18292 12086 1 20 . 1 1 32 32 ASP HA H 32 4.277 4.277 4.404 -0.127 18292 12087 1 20 . 1 1 32 32 ASP C C 32 176.966 176.966 178.685 -1.719 18292 12088 1 20 . 1 1 32 32 ASP CA C 32 54.829 54.829 57.568 -2.739 18292 12089 1 20 . 1 1 32 32 ASP CB C 32 37.331 37.331 41.110 -3.779 18292 12090 1 20 . 1 1 32 32 ASP H H 32 8.189 8.189 8.129 0.060 18292 12091 1 20 . 1 1 33 33 VAL N N 33 121.083 121.083 119.174 1.909 18292 12092 1 20 . 1 1 33 33 VAL HA H 33 3.444 3.444 3.804 -0.360 18292 12093 1 20 . 1 1 33 33 VAL C C 33 175.529 175.529 178.350 -2.821 18292 12094 1 20 . 1 1 33 33 VAL CA C 33 64.511 64.511 65.916 -1.405 18292 12095 1 20 . 1 1 33 33 VAL CB C 33 28.920 28.920 31.487 -2.567 18292 12096 1 20 . 1 1 33 33 VAL H H 33 8.069 8.069 7.692 0.377 18292 12097 1 20 . 1 1 34 34 ILE N N 34 122.145 122.145 120.454 1.691 18292 12098 1 20 . 1 1 34 34 ILE HA H 34 3.272 3.272 3.589 -0.317 18292 12099 1 20 . 1 1 34 34 ILE C C 34 174.723 174.723 177.955 -3.232 18292 12100 1 20 . 1 1 34 34 ILE CA C 34 63.723 63.723 65.704 -1.981 18292 12101 1 20 . 1 1 34 34 ILE CB C 34 35.949 35.949 37.179 -1.230 18292 12102 1 20 . 1 1 34 34 ILE H H 34 8.887 8.887 8.357 0.530 18292 12103 1 20 . 1 1 35 35 GLU N N 35 117.927 117.927 119.820 -1.893 18292 12104 1 20 . 1 1 35 35 GLU HA H 35 3.830 3.830 3.901 -0.071 18292 12105 1 20 . 1 1 35 35 GLU C C 35 176.747 176.747 179.168 -2.421 18292 12106 1 20 . 1 1 35 35 GLU CA C 35 57.183 57.183 60.405 -3.222 18292 12107 1 20 . 1 1 35 35 GLU CB C 35 26.969 26.969 29.172 -2.203 18292 12108 1 20 . 1 1 35 35 GLU H H 35 8.565 8.565 8.183 0.382 18292 12109 1 20 . 1 1 36 36 GLU N N 36 117.299 117.299 119.452 -2.153 18292 12110 1 20 . 1 1 36 36 GLU HA H 36 4.012 4.012 4.146 -0.134 18292 12111 1 20 . 1 1 36 36 GLU C C 36 176.604 176.604 178.928 -2.324 18292 12112 1 20 . 1 1 36 36 GLU CA C 36 56.357 56.357 59.071 -2.714 18292 12113 1 20 . 1 1 36 36 GLU CB C 36 26.612 26.612 29.194 -2.582 18292 12114 1 20 . 1 1 36 36 GLU H H 36 7.523 7.523 7.910 -0.387 18292 12115 1 20 . 1 1 37 37 CYS N N 37 116.308 116.308 117.789 -1.481 18292 12116 1 20 . 1 1 37 37 CYS HA H 37 4.141 4.141 4.197 -0.056 18292 12117 1 20 . 1 1 37 37 CYS C C 37 175.888 175.888 176.718 -0.830 18292 12118 1 20 . 1 1 37 37 CYS CA C 37 61.915 61.915 64.570 -2.655 18292 12119 1 20 . 1 1 37 37 CYS CB C 37 24.513 24.513 27.154 -2.641 18292 12120 1 20 . 1 1 37 37 CYS H H 37 8.754 8.754 8.147 0.607 18292 12121 1 20 . 1 1 38 38 ASN N N 38 121.598 121.598 118.789 2.809 18292 12122 1 20 . 1 1 38 38 ASN HA H 38 4.452 4.452 4.444 0.008 18292 12123 1 20 . 1 1 38 38 ASN C C 38 174.340 174.340 177.644 -3.304 18292 12124 1 20 . 1 1 38 38 ASN CA C 38 52.249 52.249 56.122 -3.873 18292 12125 1 20 . 1 1 38 38 ASN CB C 38 34.488 34.488 38.020 -3.533 18292 12126 1 20 . 1 1 38 38 ASN H H 38 8.800 8.800 8.738 0.062 18292 12127 1 20 . 1 1 39 39 LYS N N 39 119.297 119.297 119.733 -0.436 18292 12128 1 20 . 1 1 39 39 LYS HA H 39 4.002 4.002 4.010 -0.008 18292 12129 1 20 . 1 1 39 39 LYS C C 39 174.388 174.388 178.527 -4.139 18292 12130 1 20 . 1 1 39 39 LYS CA C 39 55.239 55.239 58.822 -3.583 18292 12131 1 20 . 1 1 39 39 LYS CB C 39 29.477 29.477 32.368 -2.892 18292 12132 1 20 . 1 1 39 39 LYS H H 39 7.427 7.427 7.742 -0.315 18292 12133 1 20 . 1 1 40 40 HIS N N 40 114.421 114.421 114.553 -0.132 18292 12134 1 20 . 1 1 40 40 HIS HA H 40 4.896 4.896 4.589 0.307 18292 12135 1 20 . 1 1 40 40 HIS C C 40 171.895 171.895 176.085 -4.190 18292 12136 1 20 . 1 1 40 40 HIS CA C 40 51.758 51.758 57.672 -5.914 18292 12137 1 20 . 1 1 40 40 HIS CB C 40 28.775 28.775 31.019 -2.244 18292 12138 1 20 . 1 1 40 40 HIS H H 40 7.453 7.453 8.173 -0.720 18292 12139 1 20 . 1 1 41 41 GLY N N 41 106.587 106.587 105.312 1.275 18292 12140 1 20 . 1 1 41 41 GLY C C 41 171.376 171.376 173.843 -2.467 18292 12141 1 20 . 1 1 41 41 GLY CA C 41 42.388 42.388 44.803 -2.415 18292 12142 1 20 . 1 1 41 41 GLY H H 41 7.599 7.599 7.609 -0.010 18292 12143 1 20 . 1 1 42 42 GLY N N 42 107.066 107.066 108.504 -1.438 18292 12144 1 20 . 1 1 42 42 GLY C C 42 169.120 169.120 171.875 -2.755 18292 12145 1 20 . 1 1 42 42 GLY CA C 42 41.518 41.518 45.225 -3.708 18292 12146 1 20 . 1 1 42 42 GLY H H 42 7.942 7.942 8.405 -0.463 18292 12147 1 20 . 1 1 43 43 VAL N N 43 114.640 114.640 118.595 -3.955 18292 12148 1 20 . 1 1 43 43 VAL HA H 43 4.527 4.527 4.475 0.052 18292 12149 1 20 . 1 1 43 43 VAL C C 43 169.861 169.861 175.225 -5.364 18292 12150 1 20 . 1 1 43 43 VAL CA C 43 58.404 58.404 61.977 -3.573 18292 12151 1 20 . 1 1 43 43 VAL CB C 43 31.692 31.692 34.930 -3.238 18292 12152 1 20 . 1 1 43 43 VAL H H 43 8.679 8.679 8.392 0.287 18292 12153 1 20 . 1 1 44 44 ILE N N 44 115.792 115.792 120.987 -5.195 18292 12154 1 20 . 1 1 44 44 ILE HA H 44 4.918 4.918 4.867 0.051 18292 12155 1 20 . 1 1 44 44 ILE C C 44 172.246 172.246 175.284 -3.038 18292 12156 1 20 . 1 1 44 44 ILE CA C 44 57.770 57.770 61.041 -3.272 18292 12157 1 20 . 1 1 44 44 ILE CB C 44 37.197 37.197 38.614 -1.417 18292 12158 1 20 . 1 1 44 44 ILE H H 44 8.587 8.587 8.319 0.268 18292 12159 1 20 . 1 1 45 45 HIS N N 45 122.684 122.684 117.913 4.771 18292 12160 1 20 . 1 1 45 45 HIS HA H 45 4.426 4.426 4.710 -0.284 18292 12161 1 20 . 1 1 45 45 HIS C C 45 168.452 168.452 172.864 -4.412 18292 12162 1 20 . 1 1 45 45 HIS CA C 45 55.548 55.548 55.746 -0.198 18292 12163 1 20 . 1 1 45 45 HIS CB C 45 31.632 31.632 34.328 -2.696 18292 12164 1 20 . 1 1 45 45 HIS H H 45 7.791 7.791 7.773 0.018 18292 12165 1 20 . 1 1 46 46 ILE N N 46 123.917 123.917 124.984 -1.067 18292 12166 1 20 . 1 1 46 46 ILE HA H 46 5.120 5.120 4.817 0.303 18292 12167 1 20 . 1 1 46 46 ILE C C 46 170.171 170.171 173.405 -3.234 18292 12168 1 20 . 1 1 46 46 ILE CA C 46 56.063 56.063 60.075 -4.013 18292 12169 1 20 . 1 1 46 46 ILE CB C 46 39.753 39.753 42.249 -2.496 18292 12170 1 20 . 1 1 46 46 ILE H H 46 7.391 7.391 8.231 -0.840 18292 12171 1 20 . 1 1 47 47 TYR N N 47 125.750 125.750 128.191 -2.441 18292 12172 1 20 . 1 1 47 47 TYR HA H 47 4.370 4.370 4.696 -0.326 18292 12173 1 20 . 1 1 47 47 TYR C C 47 171.029 171.029 173.415 -2.386 18292 12174 1 20 . 1 1 47 47 TYR CA C 47 54.800 54.800 57.108 -2.308 18292 12175 1 20 . 1 1 47 47 TYR CB C 47 39.851 39.851 40.215 -0.364 18292 12176 1 20 . 1 1 47 47 TYR H H 47 9.055 9.055 9.181 -0.126 18292 12177 1 20 . 1 1 48 48 VAL N N 48 129.720 129.720 129.119 0.601 18292 12178 1 20 . 1 1 48 48 VAL HA H 48 3.869 3.869 3.785 0.084 18292 12179 1 20 . 1 1 48 48 VAL C C 48 170.949 170.949 174.393 -3.444 18292 12180 1 20 . 1 1 48 48 VAL CA C 48 59.328 59.328 62.914 -3.586 18292 12181 1 20 . 1 1 48 48 VAL CB C 48 29.022 29.022 31.427 -2.405 18292 12182 1 20 . 1 1 48 48 VAL H H 48 8.290 8.290 8.674 -0.384 18292 12183 1 20 . 1 1 49 49 ASP N N 49 125.287 125.287 129.020 -3.733 18292 12184 1 20 . 1 1 49 49 ASP HA H 49 4.703 4.703 4.432 0.271 18292 12185 1 20 . 1 1 49 49 ASP C C 49 173.851 173.851 176.243 -2.392 18292 12186 1 20 . 1 1 49 49 ASP CA C 49 50.349 50.349 52.146 -1.797 18292 12187 1 20 . 1 1 49 49 ASP CB C 49 38.139 38.139 40.666 -2.527 18292 12188 1 20 . 1 1 49 49 ASP H H 49 8.274 8.274 8.237 0.037 18292 12189 1 20 . 1 1 50 50 LYS N N 50 125.099 125.099 125.486 -0.387 18292 12190 1 20 . 1 1 50 50 LYS HA H 50 4.096 4.096 3.871 0.225 18292 12191 1 20 . 1 1 50 50 LYS C C 50 173.120 173.120 177.564 -4.444 18292 12192 1 20 . 1 1 50 50 LYS CA C 50 56.284 56.284 59.256 -2.972 18292 12193 1 20 . 1 1 50 50 LYS CB C 50 29.763 29.763 32.117 -2.354 18292 12194 1 20 . 1 1 50 50 LYS H H 50 8.090 8.090 7.751 0.339 18292 12195 1 20 . 1 1 51 51 ASN N N 51 114.422 114.422 114.590 -0.168 18292 12196 1 20 . 1 1 51 51 ASN HA H 51 4.931 4.931 4.832 0.099 18292 12197 1 20 . 1 1 51 51 ASN C C 51 172.685 172.685 175.865 -3.180 18292 12198 1 20 . 1 1 51 51 ASN CA C 51 50.744 50.744 53.821 -3.077 18292 12199 1 20 . 1 1 51 51 ASN CB C 51 37.036 37.036 39.202 -2.166 18292 12200 1 20 . 1 1 51 51 ASN H H 51 8.272 8.272 8.280 -0.008 18292 12201 1 20 . 1 1 52 52 SER N N 52 115.013 115.013 115.463 -0.450 18292 12202 1 20 . 1 1 52 52 SER HA H 52 4.410 4.410 4.456 -0.046 18292 12203 1 20 . 1 1 52 52 SER C C 52 172.628 172.628 174.149 -1.521 18292 12204 1 20 . 1 1 52 52 SER CA C 52 55.035 55.035 59.114 -4.079 18292 12205 1 20 . 1 1 52 52 SER CB C 52 61.604 61.604 64.697 -3.093 18292 12206 1 20 . 1 1 52 52 SER H H 52 7.920 7.920 7.961 -0.041 18292 12207 1 20 . 1 1 53 53 ALA N N 53 129.163 129.163 122.269 6.894 18292 12208 1 20 . 1 1 53 53 ALA HA H 53 4.088 4.088 4.530 -0.442 18292 12209 1 20 . 1 1 53 53 ALA C C 53 175.951 175.951 177.672 -1.721 18292 12210 1 20 . 1 1 53 53 ALA CA C 53 51.409 51.409 52.892 -1.483 18292 12211 1 20 . 1 1 53 53 ALA CB C 53 15.878 15.878 20.190 -4.312 18292 12212 1 20 . 1 1 53 53 ALA H H 53 8.837 8.837 8.631 0.206 18292 12213 1 20 . 1 1 54 54 GLN N N 54 113.081 113.081 116.654 -3.573 18292 12214 1 20 . 1 1 54 54 GLN HA H 54 4.202 4.202 4.405 -0.203 18292 12215 1 20 . 1 1 54 54 GLN C C 54 173.388 173.388 174.922 -1.534 18292 12216 1 20 . 1 1 54 54 GLN CA C 54 52.993 52.993 54.685 -1.692 18292 12217 1 20 . 1 1 54 54 GLN CB C 54 26.360 26.360 30.778 -4.418 18292 12218 1 20 . 1 1 54 54 GLN H H 54 7.836 7.836 7.865 -0.029 18292 12219 1 20 . 1 1 55 55 GLY N N 55 108.967 108.967 108.223 0.744 18292 12220 1 20 . 1 1 55 55 GLY CA C 55 45.087 45.087 44.399 0.688 18292 12221 1 20 . 1 1 55 55 GLY H H 55 7.191 7.191 7.801 -0.610 18292 12222 1 20 . 1 1 56 56 ASN N N 56 114.505 114.505 118.988 -4.483 18292 12223 1 20 . 1 1 56 56 ASN HA H 56 5.520 5.520 5.352 0.168 18292 12224 1 20 . 1 1 56 56 ASN C C 56 172.166 172.166 174.233 -2.067 18292 12225 1 20 . 1 1 56 56 ASN CA C 56 50.462 50.462 52.799 -2.337 18292 12226 1 20 . 1 1 56 56 ASN CB C 56 38.400 38.400 41.434 -3.034 18292 12227 1 20 . 1 1 56 56 ASN H H 56 7.614 7.614 7.980 -0.366 18292 12228 1 20 . 1 1 57 57 VAL N N 57 119.859 119.859 121.073 -1.214 18292 12229 1 20 . 1 1 57 57 VAL HA H 57 4.692 4.692 4.765 -0.073 18292 12230 1 20 . 1 1 57 57 VAL C C 57 170.667 170.667 173.627 -2.960 18292 12231 1 20 . 1 1 57 57 VAL CA C 57 58.163 58.163 59.460 -1.297 18292 12232 1 20 . 1 1 57 57 VAL CB C 57 33.663 33.663 35.542 -1.879 18292 12233 1 20 . 1 1 57 57 VAL H H 57 8.354 8.354 7.763 0.591 18292 12234 1 20 . 1 1 58 58 TYR N N 58 128.478 128.478 122.728 5.750 18292 12235 1 20 . 1 1 58 58 TYR HA H 58 4.937 4.937 4.786 0.151 18292 12236 1 20 . 1 1 58 58 TYR C C 58 170.605 170.605 174.570 -3.965 18292 12237 1 20 . 1 1 58 58 TYR CA C 58 55.354 55.354 57.388 -2.034 18292 12238 1 20 . 1 1 58 58 TYR CB C 58 37.775 37.775 41.122 -3.347 18292 12239 1 20 . 1 1 58 58 TYR H H 58 9.275 9.275 8.738 0.537 18292 12240 1 20 . 1 1 59 59 VAL N N 59 123.117 123.117 120.563 2.554 18292 12241 1 20 . 1 1 59 59 VAL HA H 59 4.462 4.462 4.818 -0.356 18292 12242 1 20 . 1 1 59 59 VAL C C 59 170.875 170.875 174.236 -3.361 18292 12243 1 20 . 1 1 59 59 VAL CA C 59 58.527 58.527 60.110 -1.583 18292 12244 1 20 . 1 1 59 59 VAL CB C 59 32.611 32.611 36.141 -3.530 18292 12245 1 20 . 1 1 59 59 VAL H H 59 8.860 8.860 8.602 0.258 18292 12246 1 20 . 1 1 60 60 LYS N N 60 123.266 123.266 122.778 0.488 18292 12247 1 20 . 1 1 60 60 LYS HA H 60 4.745 4.745 4.857 -0.112 18292 12248 1 20 . 1 1 60 60 LYS C C 60 173.399 173.399 174.505 -1.106 18292 12249 1 20 . 1 1 60 60 LYS CA C 60 52.207 52.207 54.435 -2.228 18292 12250 1 20 . 1 1 60 60 LYS CB C 60 34.244 34.244 36.679 -2.435 18292 12251 1 20 . 1 1 60 60 LYS H H 60 8.668 8.668 8.411 0.257 18292 12252 1 20 . 1 1 61 61 CYS N N 61 125.267 125.267 122.353 2.914 18292 12253 1 20 . 1 1 61 61 CYS HA H 61 4.740 4.740 4.948 -0.208 18292 12254 1 20 . 1 1 61 61 CYS CA C 61 56.393 56.393 55.838 0.555 18292 12255 1 20 . 1 1 61 61 CYS CB C 61 27.416 27.416 28.848 -1.432 18292 12256 1 20 . 1 1 61 61 CYS H H 61 9.207 9.207 8.394 0.813 18292 12257 1 20 . 1 1 62 62 PRO HA H 62 4.266 4.266 4.418 -0.152 18292 12258 1 20 . 1 1 62 62 PRO C C 62 171.443 171.443 175.838 -4.395 18292 12259 1 20 . 1 1 62 62 PRO CA C 62 61.167 61.167 64.192 -3.025 18292 12260 1 20 . 1 1 62 62 PRO CB C 62 29.450 29.450 32.359 -2.909 18292 12261 1 20 . 1 1 63 63 SER N N 63 108.558 108.558 112.583 -4.025 18292 12262 1 20 . 1 1 63 63 SER HA H 63 4.606 4.606 4.691 -0.085 18292 12263 1 20 . 1 1 63 63 SER C C 63 171.147 171.147 174.622 -3.475 18292 12264 1 20 . 1 1 63 63 SER CA C 63 53.259 53.259 56.540 -3.281 18292 12265 1 20 . 1 1 63 63 SER CB C 63 63.378 63.378 66.563 -3.185 18292 12266 1 20 . 1 1 63 63 SER H H 63 6.990 6.990 7.661 -0.671 18292 12267 1 20 . 1 1 64 64 ILE N N 64 122.885 122.885 126.049 -3.164 18292 12268 1 20 . 1 1 64 64 ILE HA H 64 3.462 3.462 3.850 -0.388 18292 12269 1 20 . 1 1 64 64 ILE C C 64 174.204 174.204 177.619 -3.415 18292 12270 1 20 . 1 1 64 64 ILE CA C 64 62.955 62.955 65.287 -2.332 18292 12271 1 20 . 1 1 64 64 ILE CB C 64 35.297 35.297 37.812 -2.515 18292 12272 1 20 . 1 1 64 64 ILE H H 64 8.786 8.786 8.938 -0.152 18292 12273 1 20 . 1 1 65 65 ALA N N 65 120.653 120.653 122.747 -2.094 18292 12274 1 20 . 1 1 65 65 ALA HA H 65 3.890 3.890 3.905 -0.015 18292 12275 1 20 . 1 1 65 65 ALA C C 65 177.926 177.926 179.143 -1.217 18292 12276 1 20 . 1 1 65 65 ALA CA C 65 52.772 52.772 55.297 -2.525 18292 12277 1 20 . 1 1 65 65 ALA CB C 65 15.552 15.552 17.778 -2.226 18292 12278 1 20 . 1 1 65 65 ALA H H 65 8.287 8.287 8.520 -0.233 18292 12279 1 20 . 1 1 66 66 ALA N N 66 119.802 119.802 121.274 -1.472 18292 12280 1 20 . 1 1 66 66 ALA HA H 66 4.344 4.344 4.079 0.265 18292 12281 1 20 . 1 1 66 66 ALA C C 66 176.063 176.063 179.333 -3.270 18292 12282 1 20 . 1 1 66 66 ALA CA C 66 52.108 52.108 54.566 -2.458 18292 12283 1 20 . 1 1 66 66 ALA CB C 66 16.106 16.106 18.367 -2.261 18292 12284 1 20 . 1 1 66 66 ALA H H 66 7.952 7.952 7.422 0.530 18292 12285 1 20 . 1 1 67 67 ALA N N 67 121.626 121.626 122.669 -1.043 18292 12286 1 20 . 1 1 67 67 ALA HA H 67 4.398 4.398 4.018 0.380 18292 12287 1 20 . 1 1 67 67 ALA C C 67 175.824 175.824 179.374 -3.550 18292 12288 1 20 . 1 1 67 67 ALA CA C 67 53.135 53.135 54.834 -1.699 18292 12289 1 20 . 1 1 67 67 ALA CB C 67 17.020 17.020 18.303 -1.283 18292 12290 1 20 . 1 1 67 67 ALA H H 67 7.332 7.332 7.819 -0.487 18292 12291 1 20 . 1 1 68 68 ILE N N 68 117.793 117.793 119.867 -2.074 18292 12292 1 20 . 1 1 68 68 ILE HA H 68 4.185 4.185 3.660 0.525 18292 12293 1 20 . 1 1 68 68 ILE C C 68 176.163 176.163 178.265 -2.102 18292 12294 1 20 . 1 1 68 68 ILE CA C 68 61.323 61.323 65.338 -4.015 18292 12295 1 20 . 1 1 68 68 ILE CB C 68 36.657 36.657 37.880 -1.223 18292 12296 1 20 . 1 1 68 68 ILE H H 68 8.655 8.655 8.503 0.152 18292 12297 1 20 . 1 1 69 69 ALA N N 69 119.051 119.051 120.685 -1.634 18292 12298 1 20 . 1 1 69 69 ALA HA H 69 3.836 3.836 3.792 0.044 18292 12299 1 20 . 1 1 69 69 ALA C C 69 177.325 177.325 179.113 -1.788 18292 12300 1 20 . 1 1 69 69 ALA CA C 69 51.781 51.781 54.872 -3.091 18292 12301 1 20 . 1 1 69 69 ALA CB C 69 15.767 15.767 17.802 -2.035 18292 12302 1 20 . 1 1 69 69 ALA H H 69 7.377 7.377 7.929 -0.552 18292 12303 1 20 . 1 1 70 70 ALA N N 70 121.378 121.378 122.258 -0.880 18292 12304 1 20 . 1 1 70 70 ALA HA H 70 3.544 3.544 3.909 -0.365 18292 12305 1 20 . 1 1 70 70 ALA C C 70 176.012 176.012 179.207 -3.195 18292 12306 1 20 . 1 1 70 70 ALA CA C 70 52.966 52.966 54.729 -1.763 18292 12307 1 20 . 1 1 70 70 ALA CB C 70 16.740 16.740 18.347 -1.607 18292 12308 1 20 . 1 1 70 70 ALA H H 70 7.798 7.798 8.042 -0.244 18292 12309 1 20 . 1 1 71 71 VAL N N 71 119.944 119.944 117.728 2.216 18292 12310 1 20 . 1 1 71 71 VAL HA H 71 2.524 2.524 3.091 -0.567 18292 12311 1 20 . 1 1 71 71 VAL C C 71 175.408 175.408 177.958 -2.550 18292 12312 1 20 . 1 1 71 71 VAL CA C 71 64.993 64.993 66.477 -1.484 18292 12313 1 20 . 1 1 71 71 VAL CB C 71 28.184 28.184 30.434 -2.250 18292 12314 1 20 . 1 1 71 71 VAL H H 71 8.662 8.662 8.105 0.557 18292 12315 1 20 . 1 1 72 72 ASN N N 72 114.981 114.981 117.597 -2.616 18292 12316 1 20 . 1 1 72 72 ASN HA H 72 4.244 4.244 4.380 -0.136 18292 12317 1 20 . 1 1 72 72 ASN C C 72 174.490 174.490 176.282 -1.792 18292 12318 1 20 . 1 1 72 72 ASN CA C 72 52.776 52.776 56.165 -3.389 18292 12319 1 20 . 1 1 72 72 ASN CB C 72 35.394 35.394 38.627 -3.233 18292 12320 1 20 . 1 1 72 72 ASN H H 72 8.061 8.061 8.181 -0.120 18292 12321 1 20 . 1 1 73 73 ALA N N 73 120.308 120.308 121.308 -1.000 18292 12322 1 20 . 1 1 73 73 ALA HA H 73 4.162 4.162 4.219 -0.057 18292 12323 1 20 . 1 1 73 73 ALA C C 73 176.245 176.245 178.917 -2.672 18292 12324 1 20 . 1 1 73 73 ALA CA C 73 51.058 51.058 54.137 -3.079 18292 12325 1 20 . 1 1 73 73 ALA CB C 73 17.457 17.457 19.024 -1.567 18292 12326 1 20 . 1 1 73 73 ALA H H 73 7.230 7.230 7.663 -0.433 18292 12327 1 20 . 1 1 74 74 LEU N N 74 118.156 118.156 117.548 0.608 18292 12328 1 20 . 1 1 74 74 LEU HA H 74 4.021 4.021 4.307 -0.286 18292 12329 1 20 . 1 1 74 74 LEU C C 74 173.863 173.863 177.595 -3.732 18292 12330 1 20 . 1 1 74 74 LEU CA C 74 53.853 53.853 56.651 -2.798 18292 12331 1 20 . 1 1 74 74 LEU CB C 74 41.552 41.552 42.580 -1.028 18292 12332 1 20 . 1 1 74 74 LEU H H 74 7.856 7.856 7.956 -0.100 18292 12333 1 20 . 1 1 75 75 HIS N N 75 117.126 117.126 117.626 -0.500 18292 12334 1 20 . 1 1 75 75 HIS HA H 75 3.830 3.830 4.089 -0.259 18292 12335 1 20 . 1 1 75 75 HIS C C 75 174.851 174.851 176.189 -1.338 18292 12336 1 20 . 1 1 75 75 HIS CA C 75 56.621 56.621 58.400 -1.779 18292 12337 1 20 . 1 1 75 75 HIS CB C 75 28.299 28.299 29.968 -1.669 18292 12338 1 20 . 1 1 75 75 HIS H H 75 8.434 8.434 7.935 0.499 18292 12339 1 20 . 1 1 76 76 GLY N N 76 116.761 116.761 115.908 0.853 18292 12340 1 20 . 1 1 76 76 GLY CA C 76 42.221 42.221 44.946 -2.725 18292 12341 1 20 . 1 1 76 76 GLY H H 76 8.418 8.418 8.623 -0.205 18292 12342 1 20 . 1 1 77 77 ARG N N 77 120.430 120.430 119.457 0.973 18292 12343 1 20 . 1 1 77 77 ARG HA H 77 4.248 4.248 4.430 -0.182 18292 12344 1 20 . 1 1 77 77 ARG C C 77 173.536 173.536 175.163 -1.627 18292 12345 1 20 . 1 1 77 77 ARG CA C 77 53.029 53.029 55.487 -2.458 18292 12346 1 20 . 1 1 77 77 ARG CB C 77 29.058 29.058 31.544 -2.486 18292 12347 1 20 . 1 1 77 77 ARG H H 77 7.385 7.385 7.680 -0.295 18292 12348 1 20 . 1 1 78 78 TRP N N 78 122.989 122.989 120.287 2.702 18292 12349 1 20 . 1 1 78 78 TRP HA H 78 4.941 4.941 5.040 -0.099 18292 12350 1 20 . 1 1 78 78 TRP C C 78 173.888 173.888 176.282 -2.394 18292 12351 1 20 . 1 1 78 78 TRP CA C 78 54.234 54.234 56.972 -2.738 18292 12352 1 20 . 1 1 78 78 TRP CB C 78 26.923 26.923 30.946 -4.023 18292 12353 1 20 . 1 1 78 78 TRP H H 78 8.463 8.463 8.534 -0.071 18292 12354 1 20 . 1 1 79 79 PHE N N 79 126.899 126.899 120.921 5.978 18292 12355 1 20 . 1 1 79 79 PHE HA H 79 4.637 4.637 4.927 -0.290 18292 12356 1 20 . 1 1 79 79 PHE C C 79 171.696 171.696 176.365 -4.669 18292 12357 1 20 . 1 1 79 79 PHE CA C 79 54.624 54.624 56.840 -2.216 18292 12358 1 20 . 1 1 79 79 PHE CB C 79 39.577 39.577 41.597 -2.020 18292 12359 1 20 . 1 1 79 79 PHE H H 79 9.500 9.500 9.186 0.314 18292 12360 1 20 . 1 1 80 80 ALA N N 80 130.285 130.285 124.699 5.586 18292 12361 1 20 . 1 1 80 80 ALA HA H 80 3.705 3.705 4.342 -0.637 18292 12362 1 20 . 1 1 80 80 ALA C C 80 174.560 174.560 177.582 -3.022 18292 12363 1 20 . 1 1 80 80 ALA CA C 80 49.993 49.993 52.532 -2.539 18292 12364 1 20 . 1 1 80 80 ALA CB C 80 14.479 14.479 16.784 -2.305 18292 12365 1 20 . 1 1 80 80 ALA H H 80 8.840 8.840 8.439 0.401 18292 12366 1 20 . 1 1 81 81 GLY N N 81 102.771 102.771 106.360 -3.589 18292 12367 1 20 . 1 1 81 81 GLY C C 81 171.087 171.087 173.295 -2.208 18292 12368 1 20 . 1 1 81 81 GLY CA C 81 42.891 42.891 45.002 -2.111 18292 12369 1 20 . 1 1 81 81 GLY H H 81 8.268 8.268 8.457 -0.189 18292 12370 1 20 . 1 1 82 82 LYS N N 82 120.307 120.307 118.406 1.901 18292 12371 1 20 . 1 1 82 82 LYS HA H 82 4.469 4.469 4.732 -0.263 18292 12372 1 20 . 1 1 82 82 LYS C C 82 170.688 170.688 174.089 -3.401 18292 12373 1 20 . 1 1 82 82 LYS CA C 82 52.029 52.029 54.483 -2.454 18292 12374 1 20 . 1 1 82 82 LYS CB C 82 32.776 32.776 34.816 -2.040 18292 12375 1 20 . 1 1 82 82 LYS H H 82 7.791 7.791 7.687 0.104 18292 12376 1 20 . 1 1 83 83 MET N N 83 121.212 121.212 121.761 -0.549 18292 12377 1 20 . 1 1 83 83 MET HA H 83 3.871 3.871 4.286 -0.415 18292 12378 1 20 . 1 1 83 83 MET C C 83 173.474 173.474 175.022 -1.548 18292 12379 1 20 . 1 1 83 83 MET CA C 83 51.968 51.968 54.461 -2.493 18292 12380 1 20 . 1 1 83 83 MET CB C 83 30.275 30.275 33.277 -3.002 18292 12381 1 20 . 1 1 83 83 MET H H 83 7.953 7.953 8.457 -0.504 18292 12382 1 20 . 1 1 84 84 ILE N N 84 128.512 128.512 125.759 2.753 18292 12383 1 20 . 1 1 84 84 ILE HA H 84 4.230 4.230 4.104 0.126 18292 12384 1 20 . 1 1 84 84 ILE C C 84 173.459 173.459 175.538 -2.079 18292 12385 1 20 . 1 1 84 84 ILE CA C 84 58.832 58.832 59.941 -1.109 18292 12386 1 20 . 1 1 84 84 ILE CB C 84 36.088 36.088 37.502 -1.414 18292 12387 1 20 . 1 1 84 84 ILE H H 84 8.683 8.683 8.670 0.013 18292 12388 1 20 . 1 1 85 85 THR N N 85 115.456 115.456 116.901 -1.445 18292 12389 1 20 . 1 1 85 85 THR HA H 85 4.825 4.825 4.232 0.593 18292 12390 1 20 . 1 1 85 85 THR CA C 85 56.520 56.520 59.724 -3.204 18292 12391 1 20 . 1 1 85 85 THR CB C 85 68.803 68.803 71.271 -2.468 18292 12392 1 20 . 1 1 85 85 THR H H 85 7.318 7.318 8.142 -0.824 18292 12393 1 20 . 1 1 86 86 ALA N N 86 128.004 128.004 124.009 3.995 18292 12394 1 20 . 1 1 86 86 ALA HA H 86 5.542 5.542 5.396 0.146 18292 12395 1 20 . 1 1 86 86 ALA C C 86 173.070 173.070 175.090 -2.020 18292 12396 1 20 . 1 1 86 86 ALA CA C 86 47.491 47.491 50.698 -3.207 18292 12397 1 20 . 1 1 86 86 ALA CB C 86 22.241 22.241 22.613 -0.372 18292 12398 1 20 . 1 1 86 86 ALA H H 86 10.712 10.712 8.440 2.272 18292 12399 1 20 . 1 1 87 87 ALA N N 87 122.902 122.902 123.048 -0.146 18292 12400 1 20 . 1 1 87 87 ALA HA H 87 4.499 4.499 5.058 -0.559 18292 12401 1 20 . 1 1 87 87 ALA C C 87 173.781 173.781 175.690 -1.909 18292 12402 1 20 . 1 1 87 87 ALA CA C 87 47.989 47.989 51.279 -3.290 18292 12403 1 20 . 1 1 87 87 ALA CB C 87 19.981 19.981 21.904 -1.923 18292 12404 1 20 . 1 1 87 87 ALA H H 87 8.413 8.413 8.758 -0.345 18292 12405 1 20 . 1 1 88 88 TYR N N 88 120.267 120.267 121.198 -0.931 18292 12406 1 20 . 1 1 88 88 TYR HA H 88 4.723 4.723 4.936 -0.213 18292 12407 1 20 . 1 1 88 88 TYR C C 88 173.615 173.615 176.396 -2.781 18292 12408 1 20 . 1 1 88 88 TYR CA C 88 57.556 57.556 58.925 -1.369 18292 12409 1 20 . 1 1 88 88 TYR CB C 88 36.474 36.474 39.341 -2.867 18292 12410 1 20 . 1 1 88 88 TYR H H 88 8.311 8.311 8.819 -0.508 18292 12411 1 20 . 1 1 89 89 VAL N N 89 123.298 123.298 121.019 2.279 18292 12412 1 20 . 1 1 89 89 VAL HA H 89 4.696 4.696 4.670 0.026 18292 12413 1 20 . 1 1 89 89 VAL CA C 89 55.899 55.899 59.236 -3.337 18292 12414 1 20 . 1 1 89 89 VAL CB C 89 33.445 33.445 35.488 -2.043 18292 12415 1 20 . 1 1 89 89 VAL H H 89 8.420 8.420 8.325 0.095 18292 12416 1 20 . 1 1 90 90 PRO HA H 90 4.450 4.450 4.720 -0.270 18292 12417 1 20 . 1 1 90 90 PRO CA C 90 60.310 60.310 62.816 -2.506 18292 12418 1 20 . 1 1 90 90 PRO CB C 90 30.489 30.489 32.908 -2.419 18292 12419 1 20 . 1 1 91 91 LEU N N 91 126.649 126.649 123.482 3.167 18292 12420 1 20 . 1 1 91 91 LEU HA H 91 3.975 3.975 4.389 -0.414 18292 12421 1 20 . 1 1 91 91 LEU CA C 91 56.691 56.691 59.428 -2.737 18292 12422 1 20 . 1 1 91 91 LEU CB C 91 37.139 37.139 39.499 -2.360 18292 12423 1 20 . 1 1 91 91 LEU H H 91 8.997 8.997 8.935 0.062 18292 12424 1 20 . 1 1 92 92 PRO HA H 92 4.211 4.211 4.393 -0.182 18292 12425 1 20 . 1 1 92 92 PRO C C 92 177.175 177.175 177.695 -0.520 18292 12426 1 20 . 1 1 92 92 PRO CA C 92 63.104 63.104 64.789 -1.685 18292 12427 1 20 . 1 1 92 92 PRO CB C 92 27.973 27.973 31.364 -3.392 18292 12428 1 20 . 1 1 93 93 THR N N 93 112.839 112.839 114.419 -1.580 18292 12429 1 20 . 1 1 93 93 THR HA H 93 3.827 3.827 4.354 -0.527 18292 12430 1 20 . 1 1 93 93 THR C C 93 172.669 172.669 176.165 -3.496 18292 12431 1 20 . 1 1 93 93 THR CA C 93 63.096 63.096 65.575 -2.479 18292 12432 1 20 . 1 1 93 93 THR CB C 93 65.968 65.968 70.004 -4.036 18292 12433 1 20 . 1 1 93 93 THR H H 93 6.528 6.528 7.491 -0.963 18292 12434 1 20 . 1 1 94 94 TYR N N 94 125.195 125.195 124.476 0.719 18292 12435 1 20 . 1 1 94 94 TYR HA H 94 3.515 3.515 4.085 -0.570 18292 12436 1 20 . 1 1 94 94 TYR C C 94 174.953 174.953 177.220 -2.267 18292 12437 1 20 . 1 1 94 94 TYR CA C 94 60.012 60.012 61.983 -1.971 18292 12438 1 20 . 1 1 94 94 TYR CB C 94 37.588 37.588 38.634 -1.046 18292 12439 1 20 . 1 1 94 94 TYR H H 94 8.263 8.263 8.885 -0.622 18292 12440 1 20 . 1 1 95 95 HIS N N 95 114.994 114.994 118.374 -3.380 18292 12441 1 20 . 1 1 95 95 HIS HA H 95 4.187 4.187 4.342 -0.155 18292 12442 1 20 . 1 1 95 95 HIS C C 95 173.780 173.780 177.258 -3.478 18292 12443 1 20 . 1 1 95 95 HIS CA C 95 53.471 53.471 58.642 -5.171 18292 12444 1 20 . 1 1 95 95 HIS CB C 95 26.528 26.528 29.383 -2.854 18292 12445 1 20 . 1 1 95 95 HIS H H 95 8.529 8.529 8.586 -0.057 18292 12446 1 20 . 1 1 96 96 ASN N N 96 116.599 116.599 116.608 -0.009 18292 12447 1 20 . 1 1 96 96 ASN HA H 96 4.315 4.315 4.093 0.222 18292 12448 1 20 . 1 1 96 96 ASN C C 96 175.849 175.849 176.662 -0.813 18292 12449 1 20 . 1 1 96 96 ASN CA C 96 52.814 52.814 54.534 -1.720 18292 12450 1 20 . 1 1 96 96 ASN CB C 96 36.453 36.453 38.504 -2.051 18292 12451 1 20 . 1 1 96 96 ASN H H 96 7.343 7.343 7.842 -0.499 18292 12452 1 20 . 1 1 97 97 LEU N N 97 119.316 119.316 118.197 1.119 18292 12453 1 20 . 1 1 97 97 LEU HA H 97 3.406 3.406 3.694 -0.288 18292 12454 1 20 . 1 1 97 97 LEU CA C 97 54.399 54.399 56.853 -2.454 18292 12455 1 20 . 1 1 97 97 LEU CB C 97 39.614 39.614 41.973 -2.359 18292 12456 1 20 . 1 1 97 97 LEU H H 97 7.299 7.299 6.997 0.302 18292 12457 1 20 . 1 1 98 98 PHE N N 98 113.688 113.688 113.860 -0.172 18292 12458 1 20 . 1 1 98 98 PHE HA H 98 4.696 4.696 4.845 -0.149 18292 12459 1 20 . 1 1 98 98 PHE CA C 98 54.399 54.399 54.649 -0.250 18292 12460 1 20 . 1 1 98 98 PHE CB C 98 35.380 35.380 38.805 -3.425 18292 12461 1 20 . 1 1 98 98 PHE H H 98 7.795 7.795 7.951 -0.156 18292 12462 1 20 . 1 1 99 99 PRO HA H 99 4.430 4.430 4.504 -0.074 18292 12463 1 20 . 1 1 99 99 PRO C C 99 176.469 176.469 176.642 -0.173 18292 12464 1 20 . 1 1 99 99 PRO CA C 99 63.174 63.174 64.208 -1.034 18292 12465 1 20 . 1 1 99 99 PRO CB C 99 28.822 28.822 31.950 -3.128 18292 12466 1 20 . 1 1 100 100 ASP N N 100 115.482 115.482 115.046 0.436 18292 12467 1 20 . 1 1 100 100 ASP HA H 100 4.306 4.306 4.817 -0.511 18292 12468 1 20 . 1 1 100 100 ASP C C 100 174.886 174.886 177.333 -2.447 18292 12469 1 20 . 1 1 100 100 ASP CA C 100 53.064 53.064 54.092 -1.028 18292 12470 1 20 . 1 1 100 100 ASP CB C 100 36.736 36.736 41.324 -4.588 18292 12471 1 20 . 1 1 100 100 ASP H H 100 8.897 8.897 8.332 0.565 18292 12472 1 20 . 1 1 101 101 SER N N 101 114.743 114.743 115.662 -0.919 18292 12473 1 20 . 1 1 101 101 SER HA H 101 3.876 3.876 4.222 -0.346 18292 12474 1 20 . 1 1 101 101 SER C C 101 173.539 173.539 175.883 -2.344 18292 12475 1 20 . 1 1 101 101 SER CA C 101 58.183 58.183 60.921 -2.738 18292 12476 1 20 . 1 1 101 101 SER CB C 101 61.403 61.403 62.720 -1.317 18292 12477 1 20 . 1 1 101 101 SER H H 101 8.057 8.057 7.764 0.293 18292 12478 1 20 . 1 1 102 102 MET N N 102 122.103 122.103 117.381 4.722 18292 12479 1 20 . 1 1 102 102 MET HA H 102 3.340 3.340 4.423 -1.083 18292 12480 1 20 . 1 1 102 102 MET C C 102 174.488 174.488 177.192 -2.704 18292 12481 1 20 . 1 1 102 102 MET CA C 102 56.606 56.606 57.996 -1.390 18292 12482 1 20 . 1 1 102 102 MET CB C 102 31.312 31.312 32.322 -1.010 18292 12483 1 20 . 1 1 102 102 MET H H 102 7.319 7.319 8.172 -0.854 18292 12484 1 20 . 1 1 103 103 THR N N 103 104.780 104.780 111.385 -6.605 18292 12485 1 20 . 1 1 103 103 THR HA H 103 4.318 4.318 4.327 -0.009 18292 12486 1 20 . 1 1 103 103 THR C C 103 171.121 171.121 174.413 -3.292 18292 12487 1 20 . 1 1 103 103 THR CA C 103 57.203 57.203 61.855 -4.652 18292 12488 1 20 . 1 1 103 103 THR CB C 103 65.753 65.753 68.926 -3.173 18292 12489 1 20 . 1 1 103 103 THR H H 103 7.216 7.216 7.677 -0.461 18292 12490 1 20 . 1 1 104 104 ALA N N 104 125.795 125.795 124.807 0.988 18292 12491 1 20 . 1 1 104 104 ALA HA H 104 4.347 4.347 4.248 0.099 18292 12492 1 20 . 1 1 104 104 ALA C C 104 174.370 174.370 177.101 -2.731 18292 12493 1 20 . 1 1 104 104 ALA CA C 104 50.244 50.244 52.865 -2.621 18292 12494 1 20 . 1 1 104 104 ALA CB C 104 16.077 16.077 18.730 -2.652 18292 12495 1 20 . 1 1 104 104 ALA H H 104 6.605 6.605 7.117 -0.512 18292 12496 1 20 . 1 1 105 105 THR N N 105 111.482 111.482 116.483 -5.001 18292 12497 1 20 . 1 1 105 105 THR HA H 105 4.390 4.390 4.356 0.034 18292 12498 1 20 . 1 1 105 105 THR C C 105 171.563 171.563 174.179 -2.616 18292 12499 1 20 . 1 1 105 105 THR CA C 105 58.977 58.977 61.690 -2.713 18292 12500 1 20 . 1 1 105 105 THR CB C 105 68.537 68.537 69.220 -0.683 18292 12501 1 20 . 1 1 105 105 THR H H 105 8.698 8.698 8.477 0.221 18292 12502 1 20 . 1 1 106 106 GLN N N 106 123.003 123.003 121.030 1.973 18292 12503 1 20 . 1 1 106 106 GLN HA H 106 4.294 4.294 4.468 -0.174 18292 12504 1 20 . 1 1 106 106 GLN C C 106 172.973 172.973 174.996 -2.023 18292 12505 1 20 . 1 1 106 106 GLN CA C 106 52.710 52.710 54.748 -2.038 18292 12506 1 20 . 1 1 106 106 GLN CB C 106 27.282 27.282 28.920 -1.638 18292 12507 1 20 . 1 1 106 106 GLN H H 106 7.944 7.944 7.856 0.088 18292 12508 1 20 . 1 1 107 107 LEU N N 107 124.765 124.765 126.080 -1.315 18292 12509 1 20 . 1 1 107 107 LEU HA H 107 4.328 4.328 4.565 -0.237 18292 12510 1 20 . 1 1 107 107 LEU C C 107 174.110 174.110 177.042 -2.932 18292 12511 1 20 . 1 1 107 107 LEU CA C 107 52.798 52.798 54.361 -1.563 18292 12512 1 20 . 1 1 107 107 LEU CB C 107 37.829 37.829 42.598 -4.769 18292 12513 1 20 . 1 1 107 107 LEU H H 107 8.390 8.390 8.621 -0.231 18292 12514 1 20 . 1 1 108 108 LEU N N 108 122.332 122.332 123.449 -1.117 18292 12515 1 20 . 1 1 108 108 LEU HA H 108 4.259 4.259 4.609 -0.350 18292 12516 1 20 . 1 1 108 108 LEU C C 108 173.870 173.870 175.248 -1.378 18292 12517 1 20 . 1 1 108 108 LEU CA C 108 52.092 52.092 54.748 -2.656 18292 12518 1 20 . 1 1 108 108 LEU CB C 108 39.253 39.253 43.098 -3.845 18292 12519 1 20 . 1 1 108 108 LEU H H 108 8.480 8.480 8.546 -0.066 18292 12520 1 20 . 1 1 109 109 VAL N N 109 115.421 115.421 114.417 1.004 18292 12521 1 20 . 1 1 109 109 VAL HA H 109 4.444 4.444 4.568 -0.124 18292 12522 1 20 . 1 1 109 109 VAL CA C 109 55.640 55.640 58.218 -2.578 18292 12523 1 20 . 1 1 109 109 VAL CB C 109 31.153 31.153 33.687 -2.534 18292 12524 1 20 . 1 1 109 109 VAL H H 109 8.007 8.007 8.054 -0.047 18292 12525 1 20 . 1 1 110 110 PRO HA H 110 4.361 4.361 4.731 -0.370 18292 12526 1 20 . 1 1 110 110 PRO C C 110 173.778 173.778 176.531 -2.753 18292 12527 1 20 . 1 1 110 110 PRO CA C 110 59.737 59.737 62.667 -2.930 18292 12528 1 20 . 1 1 110 110 PRO CB C 110 29.710 29.710 32.591 -2.881 18292 12529 1 20 . 1 1 111 111 SER N N 111 120.434 120.434 119.284 1.150 18292 12530 1 20 . 1 1 111 111 SER HA H 111 4.139 4.139 4.199 -0.060 18292 12531 1 20 . 1 1 111 111 SER C C 111 172.475 172.475 174.819 -2.344 18292 12532 1 20 . 1 1 111 111 SER CA C 111 57.674 57.674 59.081 -1.407 18292 12533 1 20 . 1 1 111 111 SER CB C 111 60.580 60.580 64.153 -3.573 18292 12534 1 20 . 1 1 111 111 SER H H 111 9.945 9.945 9.525 0.420 18292 12535 1 20 . 1 1 112 112 ARG N N 112 121.013 121.013 121.033 -0.020 18292 12536 1 20 . 1 1 112 112 ARG HA H 112 4.253 4.253 4.417 -0.164 18292 12537 1 20 . 1 1 112 112 ARG C C 112 172.216 172.216 173.890 -1.674 18292 12538 1 20 . 1 1 112 112 ARG CA C 112 53.071 53.071 56.431 -3.360 18292 12539 1 20 . 1 1 112 112 ARG CB C 112 27.963 27.963 31.087 -3.124 18292 12540 1 20 . 1 1 112 112 ARG H H 112 7.861 7.861 7.976 -0.115 18292 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 104 2.944 0.378 2.934 18292 2 1 1 "Average Difference" HA 105 0.368 0.147 0.339 18292 3 1 1 "Average Difference" C 99 2.820 2.609 1.077 18292 4 1 1 "Average Difference" CA 111 2.756 2.547 1.057 18292 5 1 1 "Average Difference" CB 105 2.757 2.516 1.133 18292 6 1 1 "Average Difference" HN 103 0.606 0.011 0.608 18292 7 1 2 "Average Difference" N 104 2.934 0.113 2.946 18292 8 1 2 "Average Difference" HA 105 0.382 0.159 0.349 18292 9 1 2 "Average Difference" C 99 2.811 2.617 1.032 18292 10 1 2 "Average Difference" CA 111 2.739 2.531 1.054 18292 11 1 2 "Average Difference" CB 105 2.708 2.472 1.112 18292 12 1 2 "Average Difference" HN 103 0.590 -0.025 0.593 18292 13 1 3 "Average Difference" N 104 3.058 0.139 3.070 18292 14 1 3 "Average Difference" HA 105 0.401 0.144 0.376 18292 15 1 3 "Average Difference" C 99 2.826 2.612 1.084 18292 16 1 3 "Average Difference" CA 111 2.822 2.559 1.195 18292 17 1 3 "Average Difference" CB 105 2.833 2.569 1.199 18292 18 1 3 "Average Difference" HN 103 0.592 0.005 0.594 18292 19 1 4 "Average Difference" N 104 2.963 0.313 2.961 18292 20 1 4 "Average Difference" HA 105 0.358 0.158 0.322 18292 21 1 4 "Average Difference" C 99 2.841 2.679 0.951 18292 22 1 4 "Average Difference" CA 111 2.800 2.583 1.085 18292 23 1 4 "Average Difference" CB 105 2.724 2.482 1.128 18292 24 1 4 "Average Difference" HN 103 0.603 0.021 0.606 18292 25 1 5 "Average Difference" N 104 3.102 0.050 3.117 18292 26 1 5 "Average Difference" HA 105 0.362 0.181 0.315 18292 27 1 5 "Average Difference" C 99 2.862 2.668 1.041 18292 28 1 5 "Average Difference" CA 111 2.801 2.574 1.109 18292 29 1 5 "Average Difference" CB 105 2.871 2.609 1.202 18292 30 1 5 "Average Difference" HN 103 0.597 0.034 0.599 18292 31 1 6 "Average Difference" N 104 2.872 0.204 2.878 18292 32 1 6 "Average Difference" HA 105 0.427 0.170 0.393 18292 33 1 6 "Average Difference" C 99 2.829 2.590 1.143 18292 34 1 6 "Average Difference" CA 111 2.689 2.475 1.056 18292 35 1 6 "Average Difference" CB 105 2.700 2.424 1.194 18292 36 1 6 "Average Difference" HN 103 0.581 0.005 0.584 18292 37 1 7 "Average Difference" N 104 2.686 0.391 2.671 18292 38 1 7 "Average Difference" HA 105 0.368 0.175 0.325 18292 39 1 7 "Average Difference" C 99 2.806 2.603 1.054 18292 40 1 7 "Average Difference" CA 111 2.749 2.570 0.982 18292 41 1 7 "Average Difference" CB 105 2.788 2.540 1.154 18292 42 1 7 "Average Difference" HN 103 0.583 0.025 0.586 18292 43 1 8 "Average Difference" N 104 2.868 0.360 2.859 18292 44 1 8 "Average Difference" HA 105 0.396 0.147 0.369 18292 45 1 8 "Average Difference" C 99 2.851 2.669 1.007 18292 46 1 8 "Average Difference" CA 111 2.741 2.553 1.003 18292 47 1 8 "Average Difference" CB 105 2.772 2.537 1.122 18292 48 1 8 "Average Difference" HN 103 0.623 0.003 0.626 18292 49 1 9 "Average Difference" N 104 2.921 0.126 2.932 18292 50 1 9 "Average Difference" HA 105 0.400 0.174 0.362 18292 51 1 9 "Average Difference" C 99 2.837 2.610 1.119 18292 52 1 9 "Average Difference" CA 111 2.754 2.512 1.133 18292 53 1 9 "Average Difference" CB 105 2.913 2.632 1.253 18292 54 1 9 "Average Difference" HN 103 0.582 -0.002 0.585 18292 55 1 10 "Average Difference" N 104 2.778 0.395 2.763 18292 56 1 10 "Average Difference" HA 105 0.332 0.153 0.296 18292 57 1 10 "Average Difference" C 99 2.789 2.592 1.035 18292 58 1 10 "Average Difference" CA 111 2.720 2.516 1.038 18292 59 1 10 "Average Difference" CB 105 2.816 2.552 1.196 18292 60 1 10 "Average Difference" HN 103 0.583 -0.015 0.586 18292 61 1 11 "Average Difference" N 104 3.016 0.440 2.998 18292 62 1 11 "Average Difference" HA 105 0.367 0.123 0.347 18292 63 1 11 "Average Difference" C 99 2.824 2.623 1.052 18292 64 1 11 "Average Difference" CA 111 2.756 2.553 1.041 18292 65 1 11 "Average Difference" CB 105 2.765 2.502 1.184 18292 66 1 11 "Average Difference" HN 103 0.583 0.025 0.585 18292 67 1 12 "Average Difference" N 104 2.826 0.239 2.830 18292 68 1 12 "Average Difference" HA 105 0.416 0.183 0.375 18292 69 1 12 "Average Difference" C 99 2.768 2.518 1.153 18292 70 1 12 "Average Difference" CA 111 2.643 2.430 1.045 18292 71 1 12 "Average Difference" CB 105 2.873 2.635 1.151 18292 72 1 12 "Average Difference" HN 103 0.613 -0.003 0.615 18292 73 1 13 "Average Difference" N 104 2.715 -0.033 2.727 18292 74 1 13 "Average Difference" HA 105 0.375 0.152 0.344 18292 75 1 13 "Average Difference" C 99 2.821 2.603 1.092 18292 76 1 13 "Average Difference" CA 111 2.818 2.599 1.093 18292 77 1 13 "Average Difference" CB 105 2.764 2.530 1.118 18292 78 1 13 "Average Difference" HN 103 0.620 -0.038 0.622 18292 79 1 14 "Average Difference" N 104 3.089 0.089 3.103 18292 80 1 14 "Average Difference" HA 105 0.358 0.166 0.319 18292 81 1 14 "Average Difference" C 99 2.863 2.642 1.108 18292 82 1 14 "Average Difference" CA 111 2.753 2.508 1.141 18292 83 1 14 "Average Difference" CB 105 2.797 2.527 1.205 18292 84 1 14 "Average Difference" HN 103 0.572 -0.006 0.574 18292 85 1 15 "Average Difference" N 104 2.774 0.240 2.777 18292 86 1 15 "Average Difference" HA 105 0.340 0.154 0.304 18292 87 1 15 "Average Difference" C 99 2.847 2.636 1.081 18292 88 1 15 "Average Difference" CA 111 2.793 2.586 1.060 18292 89 1 15 "Average Difference" CB 105 2.751 2.500 1.154 18292 90 1 15 "Average Difference" HN 103 0.569 -0.041 0.570 18292 91 1 16 "Average Difference" N 104 2.904 0.273 2.905 18292 92 1 16 "Average Difference" HA 105 0.377 0.151 0.347 18292 93 1 16 "Average Difference" C 99 2.867 2.673 1.040 18292 94 1 16 "Average Difference" CA 111 2.801 2.607 1.030 18292 95 1 16 "Average Difference" CB 105 2.715 2.482 1.105 18292 96 1 16 "Average Difference" HN 103 0.605 0.011 0.608 18292 97 1 17 "Average Difference" N 104 3.108 0.043 3.123 18292 98 1 17 "Average Difference" HA 105 0.366 0.147 0.336 18292 99 1 17 "Average Difference" C 99 2.797 2.564 1.123 18292 100 1 17 "Average Difference" CA 111 2.708 2.465 1.126 18292 101 1 17 "Average Difference" CB 105 2.810 2.542 1.203 18292 102 1 17 "Average Difference" HN 103 0.573 -0.007 0.576 18292 103 1 18 "Average Difference" N 104 2.925 0.008 2.939 18292 104 1 18 "Average Difference" HA 105 0.356 0.165 0.317 18292 105 1 18 "Average Difference" C 99 2.909 2.707 1.070 18292 106 1 18 "Average Difference" CA 111 2.805 2.582 1.102 18292 107 1 18 "Average Difference" CB 105 2.788 2.518 1.204 18292 108 1 18 "Average Difference" HN 103 0.575 -0.030 0.577 18292 109 1 19 "Average Difference" N 104 3.068 0.040 3.082 18292 110 1 19 "Average Difference" HA 105 0.392 0.167 0.357 18292 111 1 19 "Average Difference" C 99 2.783 2.563 1.089 18292 112 1 19 "Average Difference" CA 111 2.717 2.475 1.126 18292 113 1 19 "Average Difference" CB 105 2.769 2.509 1.178 18292 114 1 19 "Average Difference" HN 103 0.571 -0.012 0.574 18292 115 1 20 "Average Difference" N 104 2.743 0.372 2.731 18292 116 1 20 "Average Difference" HA 105 0.377 0.167 0.340 18292 117 1 20 "Average Difference" C 99 2.831 2.621 1.075 18292 118 1 20 "Average Difference" CA 111 2.823 2.614 1.070 18292 119 1 20 "Average Difference" CB 105 2.804 2.572 1.121 18292 120 1 20 "Average Difference" HN 103 0.558 0.044 0.559 18292 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 18292 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLN N N 2 125.719 125.719 123.777 1.942 18292 2 1 . 1 1 2 2 GLN HA H 2 4.571 4.571 4.682 -0.111 18292 3 1 . 1 1 2 2 GLN CA C 2 50.502 50.502 54.262 -3.760 18292 4 1 . 1 1 2 2 GLN CB C 2 26.254 26.254 30.169 -3.915 18292 5 1 . 1 1 2 2 GLN H H 2 8.471 8.471 8.277 0.194 18292 6 1 . 1 1 3 3 PRO HA H 3 4.311 4.311 4.415 -0.104 18292 7 1 . 1 1 3 3 PRO C C 3 173.634 173.634 175.819 -2.185 18292 8 1 . 1 1 3 3 PRO CA C 3 60.349 60.349 63.079 -2.730 18292 9 1 . 1 1 3 3 PRO CB C 3 29.678 29.678 30.848 -1.170 18292 10 1 . 1 1 4 4 LEU N N 4 122.253 122.253 123.071 -0.818 18292 11 1 . 1 1 4 4 LEU HA H 4 4.133 4.133 4.510 -0.377 18292 12 1 . 1 1 4 4 LEU C C 4 172.946 172.946 175.496 -2.550 18292 13 1 . 1 1 4 4 LEU CA C 4 51.900 51.900 54.428 -2.528 18292 14 1 . 1 1 4 4 LEU CB C 4 39.711 39.711 41.830 -2.119 18292 15 1 . 1 1 4 4 LEU H H 4 7.912 7.912 7.722 0.190 18292 16 1 . 1 1 5 5 ALA N N 5 122.619 122.619 126.290 -3.671 18292 17 1 . 1 1 5 5 ALA HA H 5 2.385 2.385 4.173 -1.788 18292 18 1 . 1 1 5 5 ALA C C 5 174.164 174.164 176.844 -2.680 18292 19 1 . 1 1 5 5 ALA CA C 5 49.205 49.205 51.909 -2.704 18292 20 1 . 1 1 5 5 ALA CB C 5 17.058 17.058 18.467 -1.409 18292 21 1 . 1 1 5 5 ALA H H 5 7.415 7.415 8.216 -0.801 18292 22 1 . 1 1 6 6 THR N N 6 112.768 112.768 114.377 -1.609 18292 23 1 . 1 1 6 6 THR HA H 6 4.393 4.393 4.578 -0.185 18292 24 1 . 1 1 6 6 THR C C 6 168.908 168.908 175.188 -6.280 18292 25 1 . 1 1 6 6 THR CA C 6 56.371 56.371 60.023 -3.653 18292 26 1 . 1 1 6 6 THR CB C 6 68.874 68.874 71.142 -2.268 18292 27 1 . 1 1 6 6 THR H H 6 6.601 6.601 7.825 -1.224 18292 28 1 . 1 1 7 7 GLN N N 7 111.707 111.707 117.873 -6.166 18292 29 1 . 1 1 7 7 GLN HA H 7 4.344 4.344 4.384 -0.040 18292 30 1 . 1 1 7 7 GLN C C 7 171.068 171.068 174.866 -3.798 18292 31 1 . 1 1 7 7 GLN CA C 7 53.795 53.795 56.583 -2.788 18292 32 1 . 1 1 7 7 GLN CB C 7 28.252 28.252 27.828 0.424 18292 33 1 . 1 1 7 7 GLN H H 7 8.547 8.547 8.834 -0.287 18292 34 1 . 1 1 8 8 CYS N N 8 118.669 118.669 117.087 1.582 18292 35 1 . 1 1 8 8 CYS HA H 8 5.389 5.389 5.065 0.324 18292 36 1 . 1 1 8 8 CYS C C 8 171.026 171.026 173.400 -2.374 18292 37 1 . 1 1 8 8 CYS CA C 8 53.652 53.652 57.199 -3.547 18292 38 1 . 1 1 8 8 CYS CB C 8 29.416 29.416 31.003 -1.587 18292 39 1 . 1 1 8 8 CYS H H 8 8.558 8.558 7.568 0.990 18292 40 1 . 1 1 9 9 PHE N N 9 117.117 117.117 119.020 -1.903 18292 41 1 . 1 1 9 9 PHE HA H 9 5.369 5.369 5.282 0.087 18292 42 1 . 1 1 9 9 PHE C C 9 168.313 168.313 172.714 -4.401 18292 43 1 . 1 1 9 9 PHE CA C 9 53.341 53.341 55.662 -2.321 18292 44 1 . 1 1 9 9 PHE CB C 9 39.008 39.008 41.585 -2.577 18292 45 1 . 1 1 9 9 PHE H H 9 9.533 9.533 8.541 0.992 18292 46 1 . 1 1 10 10 GLN N N 10 118.344 118.344 116.314 2.030 18292 47 1 . 1 1 10 10 GLN HA H 10 5.063 5.063 4.945 0.118 18292 48 1 . 1 1 10 10 GLN C C 10 173.280 173.280 174.259 -0.979 18292 49 1 . 1 1 10 10 GLN CA C 10 50.242 50.242 54.021 -3.779 18292 50 1 . 1 1 10 10 GLN CB C 10 30.263 30.263 32.236 -1.973 18292 51 1 . 1 1 10 10 GLN H H 10 9.299 9.299 8.957 0.342 18292 52 1 . 1 1 11 11 LEU N N 11 128.664 128.664 121.650 7.014 18292 53 1 . 1 1 11 11 LEU HA H 11 5.474 5.474 5.068 0.406 18292 54 1 . 1 1 11 11 LEU C C 11 173.987 173.987 177.524 -3.537 18292 55 1 . 1 1 11 11 LEU CA C 11 50.153 50.153 53.665 -3.512 18292 56 1 . 1 1 11 11 LEU CB C 11 41.779 41.779 44.289 -2.510 18292 57 1 . 1 1 11 11 LEU H H 11 9.679 9.679 8.177 1.502 18292 58 1 . 1 1 12 12 SER N N 12 115.661 115.661 114.255 1.406 18292 59 1 . 1 1 12 12 SER HA H 12 4.877 4.877 4.699 0.178 18292 60 1 . 1 1 12 12 SER C C 12 170.086 170.086 172.916 -2.830 18292 61 1 . 1 1 12 12 SER CA C 12 54.698 54.698 58.185 -3.487 18292 62 1 . 1 1 12 12 SER CB C 12 63.054 63.054 63.424 -0.370 18292 63 1 . 1 1 12 12 SER H H 12 8.717 8.717 8.313 0.404 18292 64 1 . 1 1 13 13 ASN N N 13 114.812 114.812 118.222 -3.410 18292 65 1 . 1 1 13 13 ASN HA H 13 4.165 4.165 4.654 -0.489 18292 66 1 . 1 1 13 13 ASN C C 13 171.867 171.867 174.239 -2.372 18292 67 1 . 1 1 13 13 ASN CA C 13 51.269 51.269 53.590 -2.321 18292 68 1 . 1 1 13 13 ASN CB C 13 34.988 34.988 39.679 -4.691 18292 69 1 . 1 1 13 13 ASN H H 13 8.563 8.563 8.095 0.468 18292 70 1 . 1 1 14 14 MET N N 14 113.100 113.100 118.207 -5.107 18292 71 1 . 1 1 14 14 MET HA H 14 4.258 4.258 4.058 0.200 18292 72 1 . 1 1 14 14 MET C C 14 171.935 171.935 174.974 -3.039 18292 73 1 . 1 1 14 14 MET CA C 14 53.020 53.020 55.427 -2.407 18292 74 1 . 1 1 14 14 MET CB C 14 29.746 29.746 33.103 -3.357 18292 75 1 . 1 1 14 14 MET H H 14 8.261 8.261 7.789 0.472 18292 76 1 . 1 1 15 15 PHE N N 15 108.769 108.769 111.404 -2.635 18292 77 1 . 1 1 15 15 PHE HA H 15 4.485 4.485 4.741 -0.256 18292 78 1 . 1 1 15 15 PHE C C 15 170.024 170.024 173.056 -3.032 18292 79 1 . 1 1 15 15 PHE CA C 15 53.080 53.080 55.904 -2.824 18292 80 1 . 1 1 15 15 PHE CB C 15 36.300 36.300 40.057 -3.757 18292 81 1 . 1 1 15 15 PHE H H 15 6.804 6.804 6.975 -0.171 18292 82 1 . 1 1 16 16 ASN N N 16 117.922 117.922 117.531 0.391 18292 83 1 . 1 1 16 16 ASN HA H 16 4.932 4.932 5.215 -0.283 18292 84 1 . 1 1 16 16 ASN CA C 16 47.510 47.510 50.609 -3.099 18292 85 1 . 1 1 16 16 ASN CB C 16 36.512 36.512 40.070 -3.558 18292 86 1 . 1 1 16 16 ASN H H 16 8.681 8.681 8.545 0.136 18292 87 1 . 1 1 17 17 PRO HA H 17 4.102 4.102 4.557 -0.455 18292 88 1 . 1 1 17 17 PRO C C 17 174.773 174.773 176.625 -1.852 18292 89 1 . 1 1 17 17 PRO CA C 17 61.933 61.933 64.472 -2.539 18292 90 1 . 1 1 17 17 PRO CB C 17 29.557 29.557 32.241 -2.684 18292 91 1 . 1 1 18 18 GLN N N 18 116.462 116.462 116.227 0.235 18292 92 1 . 1 1 18 18 GLN HA H 18 4.146 4.146 4.448 -0.302 18292 93 1 . 1 1 18 18 GLN C C 18 174.423 174.423 175.496 -1.073 18292 94 1 . 1 1 18 18 GLN CA C 18 54.067 54.067 55.622 -1.555 18292 95 1 . 1 1 18 18 GLN CB C 18 26.326 26.326 29.443 -3.117 18292 96 1 . 1 1 18 18 GLN H H 18 7.934 7.934 8.125 -0.191 18292 97 1 . 1 1 19 19 THR N N 19 112.362 112.362 114.960 -2.598 18292 98 1 . 1 1 19 19 THR HA H 19 4.176 4.176 4.369 -0.193 18292 99 1 . 1 1 19 19 THR C C 19 171.908 171.908 173.178 -1.270 18292 100 1 . 1 1 19 19 THR CA C 19 59.509 59.509 61.798 -2.289 18292 101 1 . 1 1 19 19 THR CB C 19 66.360 66.360 68.811 -2.451 18292 102 1 . 1 1 19 19 THR H H 19 7.723 7.723 7.642 0.081 18292 103 1 . 1 1 20 20 GLU N N 20 120.326 120.326 121.284 -0.958 18292 104 1 . 1 1 20 20 GLU HA H 20 3.658 3.658 3.911 -0.253 18292 105 1 . 1 1 20 20 GLU C C 20 173.311 173.311 175.242 -1.930 18292 106 1 . 1 1 20 20 GLU CA C 20 53.164 53.164 55.534 -2.370 18292 107 1 . 1 1 20 20 GLU CB C 20 25.837 25.837 29.799 -3.962 18292 108 1 . 1 1 20 20 GLU H H 20 7.312 7.312 7.912 -0.600 18292 109 1 . 1 1 21 21 GLU N N 21 120.796 120.796 121.157 -0.361 18292 110 1 . 1 1 21 21 GLU HA H 21 4.162 4.162 4.367 -0.205 18292 111 1 . 1 1 21 21 GLU C C 21 173.747 173.747 175.611 -1.864 18292 112 1 . 1 1 21 21 GLU CA C 21 53.873 53.873 56.202 -2.329 18292 113 1 . 1 1 21 21 GLU CB C 21 28.445 28.445 30.699 -2.254 18292 114 1 . 1 1 21 21 GLU H H 21 8.011 8.011 8.301 -0.290 18292 115 1 . 1 1 22 22 GLU N N 22 121.370 121.370 119.289 2.081 18292 116 1 . 1 1 22 22 GLU HA H 22 4.393 4.393 4.513 -0.120 18292 117 1 . 1 1 22 22 GLU C C 22 173.536 173.536 175.643 -2.107 18292 118 1 . 1 1 22 22 GLU CA C 22 52.982 52.982 55.561 -2.579 18292 119 1 . 1 1 22 22 GLU CB C 22 28.012 28.012 31.203 -3.191 18292 120 1 . 1 1 22 22 GLU H H 22 8.039 8.039 8.056 -0.017 18292 121 1 . 1 1 23 23 VAL N N 23 123.340 123.340 121.950 1.390 18292 122 1 . 1 1 23 23 VAL HA H 23 3.901 3.901 4.146 -0.245 18292 123 1 . 1 1 23 23 VAL C C 23 175.077 175.077 176.448 -1.371 18292 124 1 . 1 1 23 23 VAL CA C 23 61.540 61.540 63.114 -1.574 18292 125 1 . 1 1 23 23 VAL CB C 23 29.361 29.361 31.489 -2.128 18292 126 1 . 1 1 23 23 VAL H H 23 8.447 8.447 8.479 -0.032 18292 127 1 . 1 1 24 24 GLY N N 24 114.476 114.476 115.580 -1.104 18292 128 1 . 1 1 24 24 GLY C C 24 173.717 173.717 175.405 -1.688 18292 129 1 . 1 1 24 24 GLY CA C 24 42.667 42.667 45.211 -2.544 18292 130 1 . 1 1 24 24 GLY H H 24 9.087 9.087 8.564 0.523 18292 131 1 . 1 1 25 25 TRP N N 25 121.382 121.382 120.812 0.570 18292 132 1 . 1 1 25 25 TRP HA H 25 4.214 4.214 4.510 -0.296 18292 133 1 . 1 1 25 25 TRP C C 25 174.056 174.056 175.592 -1.536 18292 134 1 . 1 1 25 25 TRP CA C 25 56.093 56.093 57.701 -1.608 18292 135 1 . 1 1 25 25 TRP CB C 25 25.016 25.016 28.456 -3.440 18292 136 1 . 1 1 26 26 ASP N N 26 118.789 118.789 120.050 -1.261 18292 137 1 . 1 1 26 26 ASP HA H 26 3.261 3.261 4.222 -0.961 18292 138 1 . 1 1 26 26 ASP C C 26 174.709 174.709 177.702 -2.993 18292 139 1 . 1 1 26 26 ASP CA C 26 52.705 52.705 56.193 -3.488 18292 140 1 . 1 1 26 26 ASP CB C 26 34.503 34.503 39.865 -5.362 18292 141 1 . 1 1 26 26 ASP H H 26 7.939 7.939 7.810 0.129 18292 142 1 . 1 1 27 27 THR N N 27 118.934 118.934 116.266 2.668 18292 143 1 . 1 1 27 27 THR HA H 27 3.552 3.552 3.992 -0.440 18292 144 1 . 1 1 27 27 THR C C 27 172.390 172.390 176.359 -3.969 18292 145 1 . 1 1 27 27 THR CA C 27 63.307 63.307 66.725 -3.418 18292 146 1 . 1 1 27 27 THR CB C 27 65.331 65.331 68.806 -3.475 18292 147 1 . 1 1 27 27 THR H H 27 7.103 7.103 7.993 -0.890 18292 148 1 . 1 1 28 28 GLU N N 28 120.484 120.484 121.163 -0.679 18292 149 1 . 1 1 28 28 GLU HA H 28 3.978 3.978 4.215 -0.237 18292 150 1 . 1 1 28 28 GLU C C 28 175.447 175.447 178.797 -3.350 18292 151 1 . 1 1 28 28 GLU CA C 28 56.760 56.760 59.161 -2.401 18292 152 1 . 1 1 28 28 GLU CB C 28 26.418 26.418 29.232 -2.814 18292 153 1 . 1 1 28 28 GLU H H 28 7.473 7.473 8.195 -0.722 18292 154 1 . 1 1 29 29 ILE N N 29 116.961 116.961 119.952 -2.991 18292 155 1 . 1 1 29 29 ILE HA H 29 3.773 3.773 3.863 -0.090 18292 156 1 . 1 1 29 29 ILE C C 29 174.605 174.605 177.950 -3.345 18292 157 1 . 1 1 29 29 ILE CA C 29 61.243 61.243 64.996 -3.753 18292 158 1 . 1 1 29 29 ILE CB C 29 35.267 35.267 37.821 -2.554 18292 159 1 . 1 1 29 29 ILE H H 29 7.113 7.113 7.745 -0.632 18292 160 1 . 1 1 30 30 LYS N N 30 118.457 118.457 120.202 -1.745 18292 161 1 . 1 1 30 30 LYS HA H 30 3.430 3.430 3.945 -0.515 18292 162 1 . 1 1 30 30 LYS C C 30 174.886 174.886 178.344 -3.458 18292 163 1 . 1 1 30 30 LYS CA C 30 57.872 57.872 59.775 -1.903 18292 164 1 . 1 1 30 30 LYS CB C 30 29.680 29.680 32.096 -2.416 18292 165 1 . 1 1 30 30 LYS H H 30 7.480 7.480 7.981 -0.500 18292 166 1 . 1 1 31 31 ASP N N 31 118.630 118.630 119.713 -1.083 18292 167 1 . 1 1 31 31 ASP HA H 31 4.233 4.233 4.347 -0.114 18292 168 1 . 1 1 31 31 ASP C C 31 175.558 175.558 177.932 -2.374 18292 169 1 . 1 1 31 31 ASP CA C 31 55.137 55.137 57.699 -2.562 18292 170 1 . 1 1 31 31 ASP CB C 31 36.829 36.829 40.694 -3.865 18292 171 1 . 1 1 31 31 ASP H H 31 8.334 8.334 7.910 0.424 18292 172 1 . 1 1 32 32 ASP N N 32 120.576 120.576 119.631 0.945 18292 173 1 . 1 1 32 32 ASP HA H 32 4.277 4.277 4.486 -0.209 18292 174 1 . 1 1 32 32 ASP C C 32 176.966 176.966 178.699 -1.733 18292 175 1 . 1 1 32 32 ASP CA C 32 54.829 54.829 57.378 -2.549 18292 176 1 . 1 1 32 32 ASP CB C 32 37.331 37.331 41.002 -3.671 18292 177 1 . 1 1 32 32 ASP H H 32 8.189 8.189 7.966 0.223 18292 178 1 . 1 1 33 33 VAL N N 33 121.083 121.083 118.720 2.363 18292 179 1 . 1 1 33 33 VAL HA H 33 3.444 3.444 3.859 -0.415 18292 180 1 . 1 1 33 33 VAL C C 33 175.529 175.529 177.892 -2.363 18292 181 1 . 1 1 33 33 VAL CA C 33 64.511 64.511 65.448 -0.937 18292 182 1 . 1 1 33 33 VAL CB C 33 28.920 28.920 31.710 -2.790 18292 183 1 . 1 1 33 33 VAL H H 33 8.069 8.069 7.477 0.592 18292 184 1 . 1 1 34 34 ILE N N 34 122.145 122.145 121.245 0.900 18292 185 1 . 1 1 34 34 ILE HA H 34 3.272 3.272 3.692 -0.420 18292 186 1 . 1 1 34 34 ILE C C 34 174.723 174.723 178.033 -3.310 18292 187 1 . 1 1 34 34 ILE CA C 34 63.723 63.723 65.383 -1.660 18292 188 1 . 1 1 34 34 ILE CB C 34 35.949 35.949 37.648 -1.699 18292 189 1 . 1 1 34 34 ILE H H 34 8.887 8.887 7.773 1.114 18292 190 1 . 1 1 35 35 GLU N N 35 117.927 117.927 119.668 -1.741 18292 191 1 . 1 1 35 35 GLU HA H 35 3.830 3.830 3.934 -0.104 18292 192 1 . 1 1 35 35 GLU C C 35 176.747 176.747 179.006 -2.259 18292 193 1 . 1 1 35 35 GLU CA C 35 57.183 57.183 60.000 -2.817 18292 194 1 . 1 1 35 35 GLU CB C 35 26.969 26.969 29.226 -2.257 18292 195 1 . 1 1 35 35 GLU H H 35 8.565 8.565 8.291 0.274 18292 196 1 . 1 1 36 36 GLU N N 36 117.299 117.299 119.042 -1.743 18292 197 1 . 1 1 36 36 GLU HA H 36 4.012 4.012 4.157 -0.145 18292 198 1 . 1 1 36 36 GLU C C 36 176.604 176.604 179.111 -2.507 18292 199 1 . 1 1 36 36 GLU CA C 36 56.357 56.357 59.191 -2.834 18292 200 1 . 1 1 36 36 GLU CB C 36 26.612 26.612 29.537 -2.925 18292 201 1 . 1 1 36 36 GLU H H 36 7.523 7.523 7.894 -0.371 18292 202 1 . 1 1 37 37 CYS N N 37 116.308 116.308 117.967 -1.659 18292 203 1 . 1 1 37 37 CYS HA H 37 4.141 4.141 4.252 -0.111 18292 204 1 . 1 1 37 37 CYS C C 37 175.888 175.888 176.722 -0.834 18292 205 1 . 1 1 37 37 CYS CA C 37 61.915 61.915 62.965 -1.050 18292 206 1 . 1 1 37 37 CYS CB C 37 24.513 24.513 27.311 -2.798 18292 207 1 . 1 1 37 37 CYS H H 37 8.754 8.754 8.160 0.594 18292 208 1 . 1 1 38 38 ASN N N 38 121.598 121.598 118.359 3.239 18292 209 1 . 1 1 38 38 ASN HA H 38 4.452 4.452 4.489 -0.037 18292 210 1 . 1 1 38 38 ASN C C 38 174.340 174.340 176.778 -2.438 18292 211 1 . 1 1 38 38 ASN CA C 38 52.249 52.249 55.622 -3.373 18292 212 1 . 1 1 38 38 ASN CB C 38 34.488 34.488 38.196 -3.708 18292 213 1 . 1 1 38 38 ASN H H 38 8.800 8.800 8.380 0.420 18292 214 1 . 1 1 39 39 LYS N N 39 119.297 119.297 117.389 1.908 18292 215 1 . 1 1 39 39 LYS HA H 39 4.002 4.002 4.092 -0.090 18292 216 1 . 1 1 39 39 LYS C C 39 174.388 174.388 177.444 -3.056 18292 217 1 . 1 1 39 39 LYS CA C 39 55.239 55.239 57.901 -2.662 18292 218 1 . 1 1 39 39 LYS CB C 39 29.477 29.477 32.356 -2.879 18292 219 1 . 1 1 39 39 LYS H H 39 7.427 7.427 7.749 -0.322 18292 220 1 . 1 1 40 40 HIS N N 40 114.421 114.421 114.883 -0.462 18292 221 1 . 1 1 40 40 HIS HA H 40 4.896 4.896 4.738 0.158 18292 222 1 . 1 1 40 40 HIS C C 40 171.895 171.895 176.052 -4.157 18292 223 1 . 1 1 40 40 HIS CA C 40 51.758 51.758 56.742 -4.984 18292 224 1 . 1 1 40 40 HIS CB C 40 28.775 28.775 31.634 -2.859 18292 225 1 . 1 1 40 40 HIS H H 40 7.453 7.453 7.641 -0.188 18292 226 1 . 1 1 41 41 GLY N N 41 106.587 106.587 105.264 1.323 18292 227 1 . 1 1 41 41 GLY C C 41 171.376 171.376 173.915 -2.539 18292 228 1 . 1 1 41 41 GLY CA C 41 42.388 42.388 45.120 -2.732 18292 229 1 . 1 1 41 41 GLY H H 41 7.599 7.599 8.163 -0.565 18292 230 1 . 1 1 42 42 GLY N N 42 107.066 107.066 108.742 -1.676 18292 231 1 . 1 1 42 42 GLY C C 42 169.120 169.120 172.239 -3.119 18292 232 1 . 1 1 42 42 GLY CA C 42 41.518 41.518 44.897 -3.379 18292 233 1 . 1 1 42 42 GLY H H 42 7.942 7.942 7.995 -0.053 18292 234 1 . 1 1 43 43 VAL N N 43 114.640 114.640 119.203 -4.563 18292 235 1 . 1 1 43 43 VAL HA H 43 4.527 4.527 4.595 -0.069 18292 236 1 . 1 1 43 43 VAL C C 43 169.861 169.861 174.687 -4.826 18292 237 1 . 1 1 43 43 VAL CA C 43 58.404 58.404 60.010 -1.606 18292 238 1 . 1 1 43 43 VAL CB C 43 31.692 31.692 35.026 -3.334 18292 239 1 . 1 1 43 43 VAL H H 43 8.679 8.679 8.368 0.311 18292 240 1 . 1 1 44 44 ILE N N 44 115.792 115.792 121.438 -5.646 18292 241 1 . 1 1 44 44 ILE HA H 44 4.918 4.918 4.942 -0.024 18292 242 1 . 1 1 44 44 ILE C C 44 172.246 172.246 174.762 -2.516 18292 243 1 . 1 1 44 44 ILE CA C 44 57.770 57.770 60.644 -2.874 18292 244 1 . 1 1 44 44 ILE CB C 44 37.197 37.197 39.576 -2.379 18292 245 1 . 1 1 44 44 ILE H H 44 8.587 8.587 8.569 0.018 18292 246 1 . 1 1 45 45 HIS N N 45 122.684 122.684 117.633 5.051 18292 247 1 . 1 1 45 45 HIS HA H 45 4.426 4.426 4.799 -0.373 18292 248 1 . 1 1 45 45 HIS C C 45 168.452 168.452 172.789 -4.337 18292 249 1 . 1 1 45 45 HIS CA C 45 55.548 55.548 56.091 -0.543 18292 250 1 . 1 1 45 45 HIS CB C 45 31.632 31.632 34.115 -2.483 18292 251 1 . 1 1 45 45 HIS H H 45 7.791 7.791 7.675 0.115 18292 252 1 . 1 1 46 46 ILE N N 46 123.917 123.917 124.155 -0.238 18292 253 1 . 1 1 46 46 ILE HA H 46 5.120 5.120 4.825 0.295 18292 254 1 . 1 1 46 46 ILE C C 46 170.171 170.171 173.451 -3.280 18292 255 1 . 1 1 46 46 ILE CA C 46 56.063 56.063 59.837 -3.775 18292 256 1 . 1 1 46 46 ILE CB C 46 39.753 39.753 42.035 -2.282 18292 257 1 . 1 1 46 46 ILE H H 46 7.391 7.391 8.186 -0.795 18292 258 1 . 1 1 47 47 TYR N N 47 125.750 125.750 127.786 -2.036 18292 259 1 . 1 1 47 47 TYR HA H 47 4.370 4.370 4.768 -0.398 18292 260 1 . 1 1 47 47 TYR C C 47 171.029 171.029 173.256 -2.227 18292 261 1 . 1 1 47 47 TYR CA C 47 54.800 54.800 56.952 -2.152 18292 262 1 . 1 1 47 47 TYR CB C 47 39.851 39.851 40.946 -1.095 18292 263 1 . 1 1 47 47 TYR H H 47 9.055 9.055 8.910 0.145 18292 264 1 . 1 1 48 48 VAL N N 48 129.720 129.720 128.730 0.990 18292 265 1 . 1 1 48 48 VAL HA H 48 3.869 3.869 3.975 -0.106 18292 266 1 . 1 1 48 48 VAL C C 48 170.949 170.949 174.407 -3.458 18292 267 1 . 1 1 48 48 VAL CA C 48 59.328 59.328 62.004 -2.676 18292 268 1 . 1 1 48 48 VAL CB C 48 29.022 29.022 32.206 -3.184 18292 269 1 . 1 1 48 48 VAL H H 48 8.290 8.290 8.456 -0.166 18292 270 1 . 1 1 49 49 ASP N N 49 125.287 125.287 127.766 -2.479 18292 271 1 . 1 1 49 49 ASP HA H 49 4.703 4.703 4.493 0.210 18292 272 1 . 1 1 49 49 ASP C C 49 173.851 173.851 176.171 -2.320 18292 273 1 . 1 1 49 49 ASP CA C 49 50.349 50.349 52.858 -2.509 18292 274 1 . 1 1 49 49 ASP CB C 49 38.139 38.139 41.785 -3.646 18292 275 1 . 1 1 49 49 ASP H H 49 8.274 8.274 8.007 0.267 18292 276 1 . 1 1 50 50 LYS N N 50 125.099 125.099 123.373 1.726 18292 277 1 . 1 1 50 50 LYS HA H 50 4.096 4.096 3.916 0.180 18292 278 1 . 1 1 50 50 LYS C C 50 173.120 173.120 177.456 -4.336 18292 279 1 . 1 1 50 50 LYS CA C 50 56.284 56.284 58.304 -2.020 18292 280 1 . 1 1 50 50 LYS CB C 50 29.763 29.763 32.485 -2.722 18292 281 1 . 1 1 50 50 LYS H H 50 8.090 8.090 8.387 -0.297 18292 282 1 . 1 1 51 51 ASN N N 51 114.422 114.422 117.607 -3.185 18292 283 1 . 1 1 51 51 ASN HA H 51 4.931 4.931 4.799 0.132 18292 284 1 . 1 1 51 51 ASN C C 51 172.685 172.685 175.446 -2.761 18292 285 1 . 1 1 51 51 ASN CA C 51 50.744 50.744 53.719 -2.975 18292 286 1 . 1 1 51 51 ASN CB C 51 37.036 37.036 38.849 -1.813 18292 287 1 . 1 1 51 51 ASN H H 51 8.272 8.272 8.365 -0.092 18292 288 1 . 1 1 52 52 SER N N 52 115.013 115.013 115.801 -0.787 18292 289 1 . 1 1 52 52 SER HA H 52 4.410 4.410 4.478 -0.068 18292 290 1 . 1 1 52 52 SER C C 52 172.628 172.628 174.486 -1.858 18292 291 1 . 1 1 52 52 SER CA C 52 55.035 55.035 58.884 -3.849 18292 292 1 . 1 1 52 52 SER CB C 52 61.604 61.604 64.356 -2.752 18292 293 1 . 1 1 52 52 SER H H 52 7.920 7.920 7.807 0.113 18292 294 1 . 1 1 53 53 ALA N N 53 129.163 129.163 125.050 4.113 18292 295 1 . 1 1 53 53 ALA HA H 53 4.088 4.088 4.442 -0.354 18292 296 1 . 1 1 53 53 ALA C C 53 175.951 175.951 177.713 -1.762 18292 297 1 . 1 1 53 53 ALA CA C 53 51.409 51.409 53.188 -1.779 18292 298 1 . 1 1 53 53 ALA CB C 53 15.878 15.878 19.696 -3.818 18292 299 1 . 1 1 53 53 ALA H H 53 8.837 8.837 8.666 0.171 18292 300 1 . 1 1 54 54 GLN N N 54 113.081 113.081 117.846 -4.765 18292 301 1 . 1 1 54 54 GLN HA H 54 4.202 4.202 4.395 -0.193 18292 302 1 . 1 1 54 54 GLN C C 54 173.388 173.388 175.229 -1.841 18292 303 1 . 1 1 54 54 GLN CA C 54 52.993 52.993 54.415 -1.422 18292 304 1 . 1 1 54 54 GLN CB C 54 26.360 26.360 29.594 -3.234 18292 305 1 . 1 1 54 54 GLN H H 54 7.836 7.836 7.869 -0.033 18292 306 1 . 1 1 55 55 GLY N N 55 108.967 108.967 107.898 1.069 18292 307 1 . 1 1 55 55 GLY CA C 55 45.087 45.087 44.829 0.258 18292 308 1 . 1 1 55 55 GLY H H 55 7.191 7.191 8.303 -1.113 18292 309 1 . 1 1 56 56 ASN N N 56 114.505 114.505 118.003 -3.498 18292 310 1 . 1 1 56 56 ASN HA H 56 5.520 5.520 4.991 0.529 18292 311 1 . 1 1 56 56 ASN C C 56 172.166 172.166 174.442 -2.276 18292 312 1 . 1 1 56 56 ASN CA C 56 50.462 50.462 53.584 -3.122 18292 313 1 . 1 1 56 56 ASN CB C 56 38.400 38.400 40.407 -2.007 18292 314 1 . 1 1 56 56 ASN H H 56 7.614 7.614 7.787 -0.173 18292 315 1 . 1 1 57 57 VAL N N 57 119.859 119.859 119.190 0.669 18292 316 1 . 1 1 57 57 VAL HA H 57 4.692 4.692 4.496 0.196 18292 317 1 . 1 1 57 57 VAL C C 57 170.667 170.667 174.023 -3.356 18292 318 1 . 1 1 57 57 VAL CA C 57 58.163 58.163 60.506 -2.343 18292 319 1 . 1 1 57 57 VAL CB C 57 33.663 33.663 35.915 -2.252 18292 320 1 . 1 1 57 57 VAL H H 57 8.354 8.354 7.755 0.599 18292 321 1 . 1 1 58 58 TYR N N 58 128.478 128.478 122.768 5.710 18292 322 1 . 1 1 58 58 TYR HA H 58 4.937 4.937 4.847 0.090 18292 323 1 . 1 1 58 58 TYR C C 58 170.605 170.605 174.380 -3.775 18292 324 1 . 1 1 58 58 TYR CA C 58 55.354 55.354 57.363 -2.009 18292 325 1 . 1 1 58 58 TYR CB C 58 37.775 37.775 41.275 -3.500 18292 326 1 . 1 1 58 58 TYR H H 58 9.275 9.275 8.877 0.398 18292 327 1 . 1 1 59 59 VAL N N 59 123.117 123.117 121.036 2.081 18292 328 1 . 1 1 59 59 VAL HA H 59 4.462 4.462 4.699 -0.237 18292 329 1 . 1 1 59 59 VAL C C 59 170.875 170.875 173.737 -2.861 18292 330 1 . 1 1 59 59 VAL CA C 59 58.527 58.527 60.066 -1.539 18292 331 1 . 1 1 59 59 VAL CB C 59 32.611 32.611 35.566 -2.955 18292 332 1 . 1 1 59 59 VAL H H 59 8.860 8.860 8.615 0.245 18292 333 1 . 1 1 60 60 LYS N N 60 123.266 123.266 125.347 -2.081 18292 334 1 . 1 1 60 60 LYS HA H 60 4.745 4.745 4.862 -0.117 18292 335 1 . 1 1 60 60 LYS C C 60 173.399 173.399 175.041 -1.642 18292 336 1 . 1 1 60 60 LYS CA C 60 52.207 52.207 54.853 -2.646 18292 337 1 . 1 1 60 60 LYS CB C 60 34.244 34.244 35.868 -1.624 18292 338 1 . 1 1 60 60 LYS H H 60 8.668 8.668 8.542 0.126 18292 339 1 . 1 1 61 61 CYS N N 61 125.267 125.267 125.096 0.171 18292 340 1 . 1 1 61 61 CYS HA H 61 4.740 4.740 4.923 -0.183 18292 341 1 . 1 1 61 61 CYS CA C 61 56.393 56.393 56.256 0.137 18292 342 1 . 1 1 61 61 CYS CB C 61 27.416 27.416 28.815 -1.399 18292 343 1 . 1 1 61 61 CYS H H 61 9.207 9.207 8.937 0.270 18292 344 1 . 1 1 62 62 PRO HA H 62 4.266 4.266 4.428 -0.162 18292 345 1 . 1 1 62 62 PRO C C 62 171.443 171.443 175.959 -4.516 18292 346 1 . 1 1 62 62 PRO CA C 62 61.167 61.167 64.162 -2.995 18292 347 1 . 1 1 62 62 PRO CB C 62 29.450 29.450 32.283 -2.833 18292 348 1 . 1 1 63 63 SER N N 63 108.558 108.558 112.311 -3.753 18292 349 1 . 1 1 63 63 SER HA H 63 4.606 4.606 4.701 -0.095 18292 350 1 . 1 1 63 63 SER C C 63 171.147 171.147 174.445 -3.298 18292 351 1 . 1 1 63 63 SER CA C 63 53.259 53.259 56.774 -3.515 18292 352 1 . 1 1 63 63 SER CB C 63 63.378 63.378 66.528 -3.150 18292 353 1 . 1 1 63 63 SER H H 63 6.990 6.990 7.668 -0.678 18292 354 1 . 1 1 64 64 ILE N N 64 122.885 122.885 124.516 -1.632 18292 355 1 . 1 1 64 64 ILE HA H 64 3.462 3.462 3.789 -0.327 18292 356 1 . 1 1 64 64 ILE C C 64 174.204 174.204 177.624 -3.420 18292 357 1 . 1 1 64 64 ILE CA C 64 62.955 62.955 65.284 -2.329 18292 358 1 . 1 1 64 64 ILE CB C 64 35.297 35.297 37.836 -2.539 18292 359 1 . 1 1 64 64 ILE H H 64 8.786 8.786 8.899 -0.113 18292 360 1 . 1 1 65 65 ALA N N 65 120.653 120.653 122.565 -1.912 18292 361 1 . 1 1 65 65 ALA HA H 65 3.890 3.890 3.980 -0.090 18292 362 1 . 1 1 65 65 ALA C C 65 177.926 177.926 179.222 -1.296 18292 363 1 . 1 1 65 65 ALA CA C 65 52.772 52.772 55.196 -2.424 18292 364 1 . 1 1 65 65 ALA CB C 65 15.552 15.552 17.748 -2.196 18292 365 1 . 1 1 65 65 ALA H H 65 8.287 8.287 8.398 -0.111 18292 366 1 . 1 1 66 66 ALA N N 66 119.802 119.802 120.852 -1.050 18292 367 1 . 1 1 66 66 ALA HA H 66 4.344 4.344 4.111 0.233 18292 368 1 . 1 1 66 66 ALA C C 66 176.063 176.063 179.192 -3.129 18292 369 1 . 1 1 66 66 ALA CA C 66 52.108 52.108 54.639 -2.531 18292 370 1 . 1 1 66 66 ALA CB C 66 16.106 16.106 18.391 -2.285 18292 371 1 . 1 1 66 66 ALA H H 66 7.952 7.952 7.856 0.096 18292 372 1 . 1 1 67 67 ALA N N 67 121.626 121.626 122.274 -0.648 18292 373 1 . 1 1 67 67 ALA HA H 67 4.398 4.398 3.931 0.467 18292 374 1 . 1 1 67 67 ALA C C 67 175.824 175.824 179.351 -3.527 18292 375 1 . 1 1 67 67 ALA CA C 67 53.135 53.135 54.694 -1.559 18292 376 1 . 1 1 67 67 ALA CB C 67 17.020 17.020 18.363 -1.343 18292 377 1 . 1 1 67 67 ALA H H 67 7.332 7.332 7.438 -0.106 18292 378 1 . 1 1 68 68 ILE N N 68 117.793 117.793 119.892 -2.099 18292 379 1 . 1 1 68 68 ILE HA H 68 4.185 4.185 3.684 0.501 18292 380 1 . 1 1 68 68 ILE C C 68 176.163 176.163 178.189 -2.026 18292 381 1 . 1 1 68 68 ILE CA C 68 61.323 61.323 65.275 -3.952 18292 382 1 . 1 1 68 68 ILE CB C 68 36.657 36.657 37.821 -1.164 18292 383 1 . 1 1 68 68 ILE H H 68 8.655 8.655 8.412 0.243 18292 384 1 . 1 1 69 69 ALA N N 69 119.051 119.051 120.704 -1.653 18292 385 1 . 1 1 69 69 ALA HA H 69 3.836 3.836 3.857 -0.021 18292 386 1 . 1 1 69 69 ALA C C 69 177.325 177.325 179.141 -1.816 18292 387 1 . 1 1 69 69 ALA CA C 69 51.781 51.781 54.941 -3.160 18292 388 1 . 1 1 69 69 ALA CB C 69 15.767 15.767 17.894 -2.127 18292 389 1 . 1 1 69 69 ALA H H 69 7.377 7.377 7.773 -0.396 18292 390 1 . 1 1 70 70 ALA N N 70 121.378 121.378 121.718 -0.340 18292 391 1 . 1 1 70 70 ALA HA H 70 3.544 3.544 3.779 -0.235 18292 392 1 . 1 1 70 70 ALA C C 70 176.012 176.012 179.168 -3.156 18292 393 1 . 1 1 70 70 ALA CA C 70 52.966 52.966 54.541 -1.575 18292 394 1 . 1 1 70 70 ALA CB C 70 16.740 16.740 18.169 -1.429 18292 395 1 . 1 1 70 70 ALA H H 70 7.798 7.798 7.626 0.172 18292 396 1 . 1 1 71 71 VAL N N 71 119.944 119.944 118.472 1.472 18292 397 1 . 1 1 71 71 VAL HA H 71 2.524 2.524 3.105 -0.581 18292 398 1 . 1 1 71 71 VAL C C 71 175.408 175.408 177.960 -2.552 18292 399 1 . 1 1 71 71 VAL CA C 71 64.993 64.993 66.712 -1.719 18292 400 1 . 1 1 71 71 VAL CB C 71 28.184 28.184 30.812 -2.628 18292 401 1 . 1 1 71 71 VAL H H 71 8.662 8.662 7.918 0.745 18292 402 1 . 1 1 72 72 ASN N N 72 114.981 114.981 117.312 -2.331 18292 403 1 . 1 1 72 72 ASN HA H 72 4.244 4.244 4.362 -0.118 18292 404 1 . 1 1 72 72 ASN C C 72 174.490 174.490 176.477 -1.987 18292 405 1 . 1 1 72 72 ASN CA C 72 52.776 52.776 55.921 -3.145 18292 406 1 . 1 1 72 72 ASN CB C 72 35.394 35.394 38.326 -2.932 18292 407 1 . 1 1 72 72 ASN H H 72 8.061 8.061 8.147 -0.086 18292 408 1 . 1 1 73 73 ALA N N 73 120.308 120.308 121.289 -0.981 18292 409 1 . 1 1 73 73 ALA HA H 73 4.162 4.162 4.138 0.024 18292 410 1 . 1 1 73 73 ALA C C 73 176.245 176.245 178.815 -2.570 18292 411 1 . 1 1 73 73 ALA CA C 73 51.058 51.058 54.230 -3.172 18292 412 1 . 1 1 73 73 ALA CB C 73 17.457 17.457 19.099 -1.642 18292 413 1 . 1 1 73 73 ALA H H 73 7.230 7.230 7.538 -0.308 18292 414 1 . 1 1 74 74 LEU N N 74 118.156 118.156 116.900 1.256 18292 415 1 . 1 1 74 74 LEU HA H 74 4.021 4.021 4.183 -0.162 18292 416 1 . 1 1 74 74 LEU C C 74 173.863 173.863 177.517 -3.654 18292 417 1 . 1 1 74 74 LEU CA C 74 53.853 53.853 56.601 -2.748 18292 418 1 . 1 1 74 74 LEU CB C 74 41.552 41.552 42.548 -0.996 18292 419 1 . 1 1 74 74 LEU H H 74 7.856 7.856 7.758 0.098 18292 420 1 . 1 1 75 75 HIS N N 75 117.126 117.126 118.376 -1.250 18292 421 1 . 1 1 75 75 HIS HA H 75 3.830 3.830 4.242 -0.412 18292 422 1 . 1 1 75 75 HIS C C 75 174.851 174.851 176.145 -1.294 18292 423 1 . 1 1 75 75 HIS CA C 75 56.621 56.621 58.143 -1.522 18292 424 1 . 1 1 75 75 HIS CB C 75 28.299 28.299 29.548 -1.249 18292 425 1 . 1 1 75 75 HIS H H 75 8.434 8.434 8.059 0.375 18292 426 1 . 1 1 76 76 GLY N N 76 116.761 116.761 115.803 0.958 18292 427 1 . 1 1 76 76 GLY CA C 76 42.221 42.221 44.770 -2.549 18292 428 1 . 1 1 76 76 GLY H H 76 8.418 8.418 8.670 -0.252 18292 429 1 . 1 1 77 77 ARG N N 77 120.430 120.430 120.071 0.359 18292 430 1 . 1 1 77 77 ARG HA H 77 4.248 4.248 4.382 -0.134 18292 431 1 . 1 1 77 77 ARG C C 77 173.536 173.536 174.947 -1.411 18292 432 1 . 1 1 77 77 ARG CA C 77 53.029 53.029 55.932 -2.903 18292 433 1 . 1 1 77 77 ARG CB C 77 29.058 29.058 31.760 -2.702 18292 434 1 . 1 1 77 77 ARG H H 77 7.385 7.385 7.658 -0.273 18292 435 1 . 1 1 78 78 TRP N N 78 122.989 122.989 121.685 1.304 18292 436 1 . 1 1 78 78 TRP HA H 78 4.941 4.941 5.031 -0.090 18292 437 1 . 1 1 78 78 TRP C C 78 173.888 173.888 176.239 -2.351 18292 438 1 . 1 1 78 78 TRP CA C 78 54.234 54.234 56.826 -2.592 18292 439 1 . 1 1 78 78 TRP CB C 78 26.923 26.923 30.389 -3.466 18292 440 1 . 1 1 78 78 TRP H H 78 8.463 8.463 8.464 -0.001 18292 441 1 . 1 1 79 79 PHE N N 79 126.899 126.899 124.020 2.879 18292 442 1 . 1 1 79 79 PHE HA H 79 4.637 4.637 4.592 0.045 18292 443 1 . 1 1 79 79 PHE C C 79 171.696 171.696 176.854 -5.158 18292 444 1 . 1 1 79 79 PHE CA C 79 54.624 54.624 57.758 -3.134 18292 445 1 . 1 1 79 79 PHE CB C 79 39.577 39.577 41.234 -1.657 18292 446 1 . 1 1 79 79 PHE H H 79 9.500 9.500 8.990 0.510 18292 447 1 . 1 1 80 80 ALA N N 80 130.285 130.285 124.204 6.081 18292 448 1 . 1 1 80 80 ALA HA H 80 3.705 3.705 4.194 -0.489 18292 449 1 . 1 1 80 80 ALA C C 80 174.560 174.560 177.253 -2.693 18292 450 1 . 1 1 80 80 ALA CA C 80 49.993 49.993 53.184 -3.191 18292 451 1 . 1 1 80 80 ALA CB C 80 14.479 14.479 17.379 -2.900 18292 452 1 . 1 1 80 80 ALA H H 80 8.840 8.840 8.331 0.509 18292 453 1 . 1 1 81 81 GLY N N 81 102.771 102.771 106.607 -3.836 18292 454 1 . 1 1 81 81 GLY C C 81 171.087 171.087 173.467 -2.380 18292 455 1 . 1 1 81 81 GLY CA C 81 42.891 42.891 45.165 -2.274 18292 456 1 . 1 1 81 81 GLY H H 81 8.268 8.268 8.371 -0.103 18292 457 1 . 1 1 82 82 LYS N N 82 120.307 120.307 118.222 2.085 18292 458 1 . 1 1 82 82 LYS HA H 82 4.469 4.469 4.673 -0.204 18292 459 1 . 1 1 82 82 LYS C C 82 170.688 170.688 174.116 -3.428 18292 460 1 . 1 1 82 82 LYS CA C 82 52.029 52.029 54.666 -2.638 18292 461 1 . 1 1 82 82 LYS CB C 82 32.776 32.776 34.782 -2.006 18292 462 1 . 1 1 82 82 LYS H H 82 7.791 7.791 7.911 -0.120 18292 463 1 . 1 1 83 83 MET N N 83 121.212 121.212 121.396 -0.184 18292 464 1 . 1 1 83 83 MET HA H 83 3.871 3.871 4.079 -0.208 18292 465 1 . 1 1 83 83 MET C C 83 173.474 173.474 175.096 -1.622 18292 466 1 . 1 1 83 83 MET CA C 83 51.968 51.968 54.754 -2.785 18292 467 1 . 1 1 83 83 MET CB C 83 30.275 30.275 33.070 -2.795 18292 468 1 . 1 1 83 83 MET H H 83 7.953 7.953 8.379 -0.426 18292 469 1 . 1 1 84 84 ILE N N 84 128.512 128.512 124.830 3.682 18292 470 1 . 1 1 84 84 ILE HA H 84 4.230 4.230 4.187 0.043 18292 471 1 . 1 1 84 84 ILE C C 84 173.459 173.459 175.029 -1.570 18292 472 1 . 1 1 84 84 ILE CA C 84 58.832 58.832 59.451 -0.619 18292 473 1 . 1 1 84 84 ILE CB C 84 36.088 36.088 38.244 -2.156 18292 474 1 . 1 1 84 84 ILE H H 84 8.683 8.683 8.660 0.023 18292 475 1 . 1 1 85 85 THR N N 85 115.456 115.456 116.989 -1.533 18292 476 1 . 1 1 85 85 THR HA H 85 4.825 4.825 4.441 0.384 18292 477 1 . 1 1 85 85 THR CA C 85 56.520 56.520 59.915 -3.395 18292 478 1 . 1 1 85 85 THR CB C 85 68.803 68.803 71.225 -2.423 18292 479 1 . 1 1 85 85 THR H H 85 7.318 7.318 8.133 -0.815 18292 480 1 . 1 1 86 86 ALA N N 86 128.004 128.004 125.063 2.941 18292 481 1 . 1 1 86 86 ALA HA H 86 5.542 5.542 5.368 0.174 18292 482 1 . 1 1 86 86 ALA C C 86 173.070 173.070 175.452 -2.382 18292 483 1 . 1 1 86 86 ALA CA C 86 47.491 47.491 50.162 -2.671 18292 484 1 . 1 1 86 86 ALA CB C 86 22.241 22.241 21.985 0.256 18292 485 1 . 1 1 86 86 ALA H H 86 10.712 10.712 8.191 2.521 18292 486 1 . 1 1 87 87 ALA N N 87 122.902 122.902 121.489 1.413 18292 487 1 . 1 1 87 87 ALA HA H 87 4.499 4.499 4.845 -0.346 18292 488 1 . 1 1 87 87 ALA C C 87 173.781 173.781 175.209 -1.428 18292 489 1 . 1 1 87 87 ALA CA C 87 47.989 47.989 51.567 -3.578 18292 490 1 . 1 1 87 87 ALA CB C 87 19.981 19.981 21.676 -1.695 18292 491 1 . 1 1 87 87 ALA H H 87 8.413 8.413 8.431 -0.018 18292 492 1 . 1 1 88 88 TYR N N 88 120.267 120.267 120.057 0.210 18292 493 1 . 1 1 88 88 TYR HA H 88 4.723 4.723 4.938 -0.215 18292 494 1 . 1 1 88 88 TYR C C 88 173.615 173.615 176.519 -2.904 18292 495 1 . 1 1 88 88 TYR CA C 88 57.556 57.556 58.050 -0.494 18292 496 1 . 1 1 88 88 TYR CB C 88 36.474 36.474 39.585 -3.111 18292 497 1 . 1 1 88 88 TYR H H 88 8.311 8.311 8.650 -0.339 18292 498 1 . 1 1 89 89 VAL N N 89 123.298 123.298 118.791 4.507 18292 499 1 . 1 1 89 89 VAL HA H 89 4.696 4.696 4.707 -0.011 18292 500 1 . 1 1 89 89 VAL CA C 89 55.899 55.899 58.904 -3.005 18292 501 1 . 1 1 89 89 VAL CB C 89 33.445 33.445 33.667 -0.222 18292 502 1 . 1 1 89 89 VAL H H 89 8.420 8.420 8.603 -0.183 18292 503 1 . 1 1 90 90 PRO HA H 90 4.450 4.450 4.666 -0.216 18292 504 1 . 1 1 90 90 PRO CA C 90 60.310 60.310 62.868 -2.558 18292 505 1 . 1 1 90 90 PRO CB C 90 30.489 30.489 31.916 -1.427 18292 506 1 . 1 1 91 91 LEU N N 91 126.649 126.649 126.813 -0.164 18292 507 1 . 1 1 91 91 LEU HA H 91 3.975 3.975 4.226 -0.251 18292 508 1 . 1 1 91 91 LEU CA C 91 56.691 56.691 59.755 -3.064 18292 509 1 . 1 1 91 91 LEU CB C 91 37.139 37.139 39.798 -2.659 18292 510 1 . 1 1 91 91 LEU H H 91 8.997 8.997 8.768 0.229 18292 511 1 . 1 1 92 92 PRO HA H 92 4.211 4.211 4.361 -0.150 18292 512 1 . 1 1 92 92 PRO C C 92 177.175 177.175 178.170 -0.995 18292 513 1 . 1 1 92 92 PRO CA C 92 63.104 63.104 65.434 -2.330 18292 514 1 . 1 1 92 92 PRO CB C 92 27.973 27.973 31.254 -3.281 18292 515 1 . 1 1 93 93 THR N N 93 112.839 112.839 114.868 -2.029 18292 516 1 . 1 1 93 93 THR HA H 93 3.827 3.827 4.285 -0.458 18292 517 1 . 1 1 93 93 THR C C 93 172.669 172.669 176.037 -3.368 18292 518 1 . 1 1 93 93 THR CA C 93 63.096 63.096 65.794 -2.698 18292 519 1 . 1 1 93 93 THR CB C 93 65.968 65.968 69.361 -3.393 18292 520 1 . 1 1 93 93 THR H H 93 6.528 6.528 7.745 -1.217 18292 521 1 . 1 1 94 94 TYR N N 94 125.195 125.195 123.996 1.199 18292 522 1 . 1 1 94 94 TYR HA H 94 3.515 3.515 4.147 -0.632 18292 523 1 . 1 1 94 94 TYR C C 94 174.953 174.953 177.378 -2.425 18292 524 1 . 1 1 94 94 TYR CA C 94 60.012 60.012 62.183 -2.171 18292 525 1 . 1 1 94 94 TYR CB C 94 37.588 37.588 38.581 -0.993 18292 526 1 . 1 1 94 94 TYR H H 94 8.263 8.263 8.617 -0.354 18292 527 1 . 1 1 95 95 HIS N N 95 114.994 114.994 117.187 -2.193 18292 528 1 . 1 1 95 95 HIS HA H 95 4.187 4.187 4.376 -0.189 18292 529 1 . 1 1 95 95 HIS C C 95 173.780 173.780 177.112 -3.332 18292 530 1 . 1 1 95 95 HIS CA C 95 53.471 53.471 59.005 -5.534 18292 531 1 . 1 1 95 95 HIS CB C 95 26.528 26.528 29.496 -2.968 18292 532 1 . 1 1 95 95 HIS H H 95 8.529 8.529 8.329 0.200 18292 533 1 . 1 1 96 96 ASN N N 96 116.599 116.599 116.523 0.076 18292 534 1 . 1 1 96 96 ASN HA H 96 4.315 4.315 4.420 -0.105 18292 535 1 . 1 1 96 96 ASN C C 96 175.849 175.849 176.802 -0.953 18292 536 1 . 1 1 96 96 ASN CA C 96 52.814 52.814 55.244 -2.430 18292 537 1 . 1 1 96 96 ASN CB C 96 36.453 36.453 38.513 -2.060 18292 538 1 . 1 1 96 96 ASN H H 96 7.343 7.343 7.857 -0.514 18292 539 1 . 1 1 97 97 LEU N N 97 119.316 119.316 118.507 0.809 18292 540 1 . 1 1 97 97 LEU HA H 97 3.406 3.406 3.886 -0.480 18292 541 1 . 1 1 97 97 LEU CA C 97 54.399 54.399 56.758 -2.359 18292 542 1 . 1 1 97 97 LEU CB C 97 39.614 39.614 42.441 -2.827 18292 543 1 . 1 1 97 97 LEU H H 97 7.299 7.299 7.399 -0.100 18292 544 1 . 1 1 98 98 PHE N N 98 113.688 113.688 115.419 -1.731 18292 545 1 . 1 1 98 98 PHE HA H 98 4.696 4.696 4.835 -0.139 18292 546 1 . 1 1 98 98 PHE CA C 98 54.399 54.399 54.805 -0.406 18292 547 1 . 1 1 98 98 PHE CB C 98 35.380 35.380 38.613 -3.233 18292 548 1 . 1 1 98 98 PHE H H 98 7.795 7.795 7.978 -0.183 18292 549 1 . 1 1 99 99 PRO HA H 99 4.430 4.430 4.460 -0.030 18292 550 1 . 1 1 99 99 PRO C C 99 176.469 176.469 177.354 -0.885 18292 551 1 . 1 1 99 99 PRO CA C 99 63.174 63.174 64.647 -1.474 18292 552 1 . 1 1 99 99 PRO CB C 99 28.822 28.822 31.885 -3.063 18292 553 1 . 1 1 100 100 ASP N N 100 115.482 115.482 117.631 -2.149 18292 554 1 . 1 1 100 100 ASP HA H 100 4.306 4.306 4.524 -0.218 18292 555 1 . 1 1 100 100 ASP C C 100 174.886 174.886 177.803 -2.917 18292 556 1 . 1 1 100 100 ASP CA C 100 53.064 53.064 56.347 -3.283 18292 557 1 . 1 1 100 100 ASP CB C 100 36.736 36.736 40.637 -3.901 18292 558 1 . 1 1 100 100 ASP H H 100 8.897 8.897 8.527 0.370 18292 559 1 . 1 1 101 101 SER N N 101 114.743 114.743 115.143 -0.400 18292 560 1 . 1 1 101 101 SER HA H 101 3.876 3.876 4.243 -0.367 18292 561 1 . 1 1 101 101 SER C C 101 173.539 173.539 176.156 -2.617 18292 562 1 . 1 1 101 101 SER CA C 101 58.183 58.183 60.730 -2.547 18292 563 1 . 1 1 101 101 SER CB C 101 61.403 61.403 62.627 -1.224 18292 564 1 . 1 1 101 101 SER H H 101 8.057 8.057 7.928 0.130 18292 565 1 . 1 1 102 102 MET N N 102 122.103 122.103 118.320 3.783 18292 566 1 . 1 1 102 102 MET HA H 102 3.340 3.340 4.478 -1.138 18292 567 1 . 1 1 102 102 MET C C 102 174.488 174.488 176.968 -2.480 18292 568 1 . 1 1 102 102 MET CA C 102 56.606 56.606 57.949 -1.343 18292 569 1 . 1 1 102 102 MET CB C 102 31.312 31.312 32.459 -1.147 18292 570 1 . 1 1 102 102 MET H H 102 7.319 7.319 7.954 -0.635 18292 571 1 . 1 1 103 103 THR N N 103 104.780 104.780 110.846 -6.066 18292 572 1 . 1 1 103 103 THR HA H 103 4.318 4.318 4.424 -0.106 18292 573 1 . 1 1 103 103 THR C C 103 171.121 171.121 174.524 -3.403 18292 574 1 . 1 1 103 103 THR CA C 103 57.203 57.203 61.530 -4.327 18292 575 1 . 1 1 103 103 THR CB C 103 65.753 65.753 69.269 -3.516 18292 576 1 . 1 1 103 103 THR H H 103 7.216 7.216 7.815 -0.599 18292 577 1 . 1 1 104 104 ALA N N 104 125.795 125.795 125.832 -0.037 18292 578 1 . 1 1 104 104 ALA HA H 104 4.347 4.347 4.340 0.007 18292 579 1 . 1 1 104 104 ALA C C 104 174.370 174.370 177.351 -2.981 18292 580 1 . 1 1 104 104 ALA CA C 104 50.244 50.244 52.862 -2.618 18292 581 1 . 1 1 104 104 ALA CB C 104 16.077 16.077 18.756 -2.679 18292 582 1 . 1 1 104 104 ALA H H 104 6.605 6.605 7.510 -0.905 18292 583 1 . 1 1 105 105 THR N N 105 111.482 111.482 114.977 -3.495 18292 584 1 . 1 1 105 105 THR HA H 105 4.390 4.390 4.345 0.045 18292 585 1 . 1 1 105 105 THR C C 105 171.563 171.563 174.163 -2.600 18292 586 1 . 1 1 105 105 THR CA C 105 58.977 58.977 62.066 -3.089 18292 587 1 . 1 1 105 105 THR CB C 105 68.537 68.537 69.014 -0.477 18292 588 1 . 1 1 105 105 THR H H 105 8.698 8.698 8.287 0.411 18292 589 1 . 1 1 106 106 GLN N N 106 123.003 123.003 120.409 2.594 18292 590 1 . 1 1 106 106 GLN HA H 106 4.294 4.294 4.470 -0.176 18292 591 1 . 1 1 106 106 GLN C C 106 172.973 172.973 174.747 -1.774 18292 592 1 . 1 1 106 106 GLN CA C 106 52.710 52.710 54.417 -1.707 18292 593 1 . 1 1 106 106 GLN CB C 106 27.282 27.282 29.457 -2.175 18292 594 1 . 1 1 106 106 GLN H H 106 7.944 7.944 7.851 0.093 18292 595 1 . 1 1 107 107 LEU N N 107 124.765 124.765 125.705 -0.940 18292 596 1 . 1 1 107 107 LEU HA H 107 4.328 4.328 4.503 -0.175 18292 597 1 . 1 1 107 107 LEU C C 107 174.110 174.110 177.284 -3.174 18292 598 1 . 1 1 107 107 LEU CA C 107 52.798 52.798 55.109 -2.311 18292 599 1 . 1 1 107 107 LEU CB C 107 37.829 37.829 42.407 -4.578 18292 600 1 . 1 1 107 107 LEU H H 107 8.390 8.390 8.605 -0.215 18292 601 1 . 1 1 108 108 LEU N N 108 122.332 122.332 123.906 -1.574 18292 602 1 . 1 1 108 108 LEU HA H 108 4.259 4.259 4.544 -0.285 18292 603 1 . 1 1 108 108 LEU C C 108 173.870 173.870 175.749 -1.879 18292 604 1 . 1 1 108 108 LEU CA C 108 52.092 52.092 54.850 -2.758 18292 605 1 . 1 1 108 108 LEU CB C 108 39.253 39.253 42.775 -3.522 18292 606 1 . 1 1 108 108 LEU H H 108 8.480 8.480 8.572 -0.092 18292 607 1 . 1 1 109 109 VAL N N 109 115.421 115.421 114.503 0.918 18292 608 1 . 1 1 109 109 VAL HA H 109 4.444 4.444 4.572 -0.128 18292 609 1 . 1 1 109 109 VAL CA C 109 55.640 55.640 58.526 -2.886 18292 610 1 . 1 1 109 109 VAL CB C 109 31.153 31.153 32.662 -1.509 18292 611 1 . 1 1 109 109 VAL H H 109 8.007 8.007 8.043 -0.036 18292 612 1 . 1 1 110 110 PRO HA H 110 4.361 4.361 4.670 -0.309 18292 613 1 . 1 1 110 110 PRO C C 110 173.778 173.778 175.986 -2.208 18292 614 1 . 1 1 110 110 PRO CA C 110 59.737 59.737 62.499 -2.762 18292 615 1 . 1 1 110 110 PRO CB C 110 29.710 29.710 32.942 -3.232 18292 616 1 . 1 1 111 111 SER N N 111 120.434 120.434 115.650 4.784 18292 617 1 . 1 1 111 111 SER HA H 111 4.139 4.139 4.482 -0.343 18292 618 1 . 1 1 111 111 SER C C 111 172.475 172.475 174.464 -1.989 18292 619 1 . 1 1 111 111 SER CA C 111 57.674 57.674 59.162 -1.488 18292 620 1 . 1 1 111 111 SER CB C 111 60.580 60.580 64.899 -4.319 18292 621 1 . 1 1 111 111 SER H H 111 9.945 9.945 9.250 0.695 18292 622 1 . 1 1 112 112 ARG N N 112 121.013 121.013 120.991 0.022 18292 623 1 . 1 1 112 112 ARG HA H 112 4.253 4.253 4.498 -0.245 18292 624 1 . 1 1 112 112 ARG C C 112 172.216 172.216 174.069 -1.853 18292 625 1 . 1 1 112 112 ARG CA C 112 53.071 53.071 56.118 -3.047 18292 626 1 . 1 1 112 112 ARG CB C 112 27.963 27.963 31.688 -3.725 18292 627 1 . 1 1 112 112 ARG H H 112 7.861 7.861 8.444 -0.583 18292 stop_ save_