data_19079 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19079 _Entry.PDB_ID 2M5T 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 19079 _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 PRO HA H 2 4.360 4.360 4.661 -0.301 19079 2 1 1 . 1 1 2 2 PRO C C 2 178.185 178.185 176.166 2.019 19079 3 1 1 . 1 1 2 2 PRO CA C 2 65.722 65.722 63.164 2.558 19079 4 1 1 . 1 1 2 2 PRO CB C 2 33.078 33.078 31.949 1.129 19079 5 1 1 . 1 1 3 3 SER N N 3 112.403 112.403 117.510 -5.107 19079 6 1 1 . 1 1 3 3 SER HA H 3 3.136 3.136 4.562 -1.426 19079 7 1 1 . 1 1 3 3 SER C C 3 172.101 172.101 173.434 -1.333 19079 8 1 1 . 1 1 3 3 SER CA C 3 57.421 57.421 57.894 -0.473 19079 9 1 1 . 1 1 3 3 SER CB C 3 62.812 62.812 63.807 -0.995 19079 10 1 1 . 1 1 3 3 SER H H 3 8.494 8.494 8.479 0.015 19079 11 1 1 . 1 1 4 4 ASP N N 4 119.024 119.024 121.753 -2.729 19079 12 1 1 . 1 1 4 4 ASP HA H 4 4.438 4.438 4.696 -0.258 19079 13 1 1 . 1 1 4 4 ASP C C 4 177.371 177.371 174.865 2.506 19079 14 1 1 . 1 1 4 4 ASP CA C 4 54.800 54.800 53.402 1.398 19079 15 1 1 . 1 1 4 4 ASP CB C 4 41.495 41.495 39.821 1.674 19079 16 1 1 . 1 1 4 4 ASP H H 4 6.841 6.841 8.172 -1.331 19079 17 1 1 . 1 1 5 5 LEU N N 5 129.426 129.426 122.691 6.735 19079 18 1 1 . 1 1 5 5 LEU HA H 5 4.526 4.526 4.146 0.380 19079 19 1 1 . 1 1 5 5 LEU C C 5 176.246 176.246 175.642 0.604 19079 20 1 1 . 1 1 5 5 LEU CA C 5 54.010 54.010 54.373 -0.363 19079 21 1 1 . 1 1 5 5 LEU CB C 5 40.690 40.690 44.678 -3.988 19079 22 1 1 . 1 1 5 5 LEU H H 5 8.781 8.781 7.776 1.005 19079 23 1 1 . 1 1 6 6 PHE HA H 6 4.842 4.842 4.590 0.252 19079 24 1 1 . 1 1 6 6 PHE C C 6 174.584 174.584 175.647 -1.063 19079 25 1 1 . 1 1 6 6 PHE CA C 6 56.782 56.782 56.670 0.112 19079 26 1 1 . 1 1 6 6 PHE CB C 6 39.576 39.576 39.123 0.452 19079 27 1 1 . 1 1 7 7 VAL N N 7 118.923 118.923 118.965 -0.042 19079 28 1 1 . 1 1 7 7 VAL HA H 7 4.528 4.528 4.127 0.401 19079 29 1 1 . 1 1 7 7 VAL C C 7 173.989 173.989 174.197 -0.208 19079 30 1 1 . 1 1 7 7 VAL CA C 7 61.571 61.571 61.132 0.439 19079 31 1 1 . 1 1 7 7 VAL CB C 7 34.826 34.826 33.137 1.689 19079 32 1 1 . 1 1 7 7 VAL H H 7 8.586 8.586 8.472 0.114 19079 33 1 1 . 1 1 8 8 HIS N N 8 132.990 132.990 125.595 7.395 19079 34 1 1 . 1 1 8 8 HIS HA H 8 5.997 5.997 5.314 0.683 19079 35 1 1 . 1 1 8 8 HIS C C 8 174.184 174.184 175.203 -1.019 19079 36 1 1 . 1 1 8 8 HIS CA C 8 53.113 53.113 54.233 -1.120 19079 37 1 1 . 1 1 8 8 HIS CB C 8 33.889 33.889 31.929 1.960 19079 38 1 1 . 1 1 8 8 HIS H H 8 10.809 10.809 8.278 2.531 19079 39 1 1 . 1 1 9 9 THR N N 9 118.112 118.112 117.393 0.719 19079 40 1 1 . 1 1 9 9 THR HA H 9 5.343 5.343 4.824 0.519 19079 41 1 1 . 1 1 9 9 THR C C 9 175.788 175.788 175.044 0.744 19079 42 1 1 . 1 1 9 9 THR CA C 9 59.768 59.768 60.195 -0.427 19079 43 1 1 . 1 1 9 9 THR CB C 9 70.673 70.673 69.745 0.928 19079 44 1 1 . 1 1 9 9 THR H H 9 9.512 9.512 8.930 0.582 19079 45 1 1 . 1 1 10 10 GLU N N 10 117.927 117.927 126.253 -8.326 19079 46 1 1 . 1 1 10 10 GLU HA H 10 4.096 4.096 3.933 0.163 19079 47 1 1 . 1 1 10 10 GLU C C 10 176.321 176.321 176.346 -0.025 19079 48 1 1 . 1 1 10 10 GLU CA C 10 59.900 59.900 59.489 0.411 19079 49 1 1 . 1 1 10 10 GLU CB C 10 29.983 29.983 27.467 2.516 19079 50 1 1 . 1 1 10 10 GLU H H 10 8.812 8.812 9.190 -0.378 19079 51 1 1 . 1 1 11 11 GLN N N 11 110.877 110.877 119.758 -8.881 19079 52 1 1 . 1 1 11 11 GLN HA H 11 4.621 4.621 4.755 -0.134 19079 53 1 1 . 1 1 11 11 GLN C C 11 175.391 175.391 173.895 1.496 19079 54 1 1 . 1 1 11 11 GLN CA C 11 56.071 56.071 55.428 0.643 19079 55 1 1 . 1 1 11 11 GLN CB C 11 31.963 31.963 31.693 0.270 19079 56 1 1 . 1 1 11 11 GLN H H 11 7.797 7.797 8.384 -0.587 19079 57 1 1 . 1 1 12 12 ALA N N 12 122.143 122.143 122.989 -0.846 19079 58 1 1 . 1 1 12 12 ALA HA H 12 5.049 5.049 5.370 -0.321 19079 59 1 1 . 1 1 12 12 ALA C C 12 174.293 174.293 175.763 -1.470 19079 60 1 1 . 1 1 12 12 ALA CA C 12 51.943 51.943 50.056 1.887 19079 61 1 1 . 1 1 12 12 ALA CB C 12 23.177 23.177 21.608 1.569 19079 62 1 1 . 1 1 12 12 ALA H H 12 7.814 7.814 8.318 -0.504 19079 63 1 1 . 1 1 13 13 ILE N N 13 119.589 119.589 126.529 -6.940 19079 64 1 1 . 1 1 13 13 ILE HA H 13 5.399 5.399 4.927 0.472 19079 65 1 1 . 1 1 13 13 ILE C C 13 174.295 174.295 175.131 -0.836 19079 66 1 1 . 1 1 13 13 ILE CA C 13 60.102 60.102 60.103 -0.001 19079 67 1 1 . 1 1 13 13 ILE CB C 13 41.080 41.080 38.018 3.062 19079 68 1 1 . 1 1 13 13 ILE H H 13 9.206 9.206 8.327 0.879 19079 69 1 1 . 1 1 14 14 TYR N N 14 127.337 127.337 129.931 -2.594 19079 70 1 1 . 1 1 14 14 TYR HA H 14 4.853 4.853 5.492 -0.639 19079 71 1 1 . 1 1 14 14 TYR C C 14 172.793 172.793 175.400 -2.607 19079 72 1 1 . 1 1 14 14 TYR CA C 14 56.784 56.784 56.760 0.024 19079 73 1 1 . 1 1 14 14 TYR CB C 14 39.797 39.797 39.395 0.403 19079 74 1 1 . 1 1 14 14 TYR H H 14 9.794 9.794 9.165 0.629 19079 75 1 1 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.705 -0.333 19079 76 1 1 . 1 1 15 15 LYS CA C 15 55.924 55.924 54.785 1.139 19079 77 1 1 . 1 1 15 15 LYS CB C 15 33.563 33.563 35.516 -1.953 19079 78 1 1 . 1 1 15 15 LYS H H 15 7.550 7.550 8.093 -0.543 19079 79 1 1 . 1 1 16 16 ASN N N 16 107.943 107.943 118.063 -10.120 19079 80 1 1 . 1 1 16 16 ASN HA H 16 5.098 5.098 5.104 -0.006 19079 81 1 1 . 1 1 16 16 ASN C C 16 176.475 176.475 176.769 -0.294 19079 82 1 1 . 1 1 16 16 ASN CA C 16 54.072 54.072 54.030 0.042 19079 83 1 1 . 1 1 16 16 ASN CB C 16 38.619 38.619 38.926 -0.307 19079 84 1 1 . 1 1 16 16 ASN H H 16 8.156 8.156 8.763 -0.607 19079 85 1 1 . 1 1 17 17 ALA N N 17 127.319 127.319 129.883 -2.564 19079 86 1 1 . 1 1 17 17 ALA HA H 17 3.608 3.608 4.385 -0.776 19079 87 1 1 . 1 1 17 17 ALA C C 17 180.081 180.081 178.835 1.246 19079 88 1 1 . 1 1 17 17 ALA CA C 17 54.282 54.282 54.808 -0.526 19079 89 1 1 . 1 1 17 17 ALA CB C 17 17.646 17.646 19.026 -1.380 19079 90 1 1 . 1 1 17 17 ALA H H 17 7.573 7.573 8.983 -1.410 19079 91 1 1 . 1 1 18 18 HIS N N 18 108.625 108.625 116.215 -7.590 19079 92 1 1 . 1 1 18 18 HIS HA H 18 4.504 4.504 4.529 -0.025 19079 93 1 1 . 1 1 18 18 HIS C C 18 174.182 174.182 176.072 -1.890 19079 94 1 1 . 1 1 18 18 HIS CA C 18 57.782 57.782 57.935 -0.153 19079 95 1 1 . 1 1 18 18 HIS CB C 18 26.798 26.798 29.766 -2.968 19079 96 1 1 . 1 1 18 18 HIS H H 18 8.118 8.118 8.570 -0.452 19079 97 1 1 . 1 1 19 19 LEU N N 19 117.682 117.682 119.148 -1.466 19079 98 1 1 . 1 1 19 19 LEU HA H 19 4.444 4.444 4.524 -0.080 19079 99 1 1 . 1 1 19 19 LEU C C 19 175.795 175.795 176.616 -0.821 19079 100 1 1 . 1 1 19 19 LEU CA C 19 53.309 53.309 55.164 -1.855 19079 101 1 1 . 1 1 19 19 LEU CB C 19 42.366 42.366 43.733 -1.367 19079 102 1 1 . 1 1 19 19 LEU H H 19 6.677 6.677 7.738 -1.061 19079 103 1 1 . 1 1 20 20 THR N N 20 116.187 116.187 109.334 6.853 19079 104 1 1 . 1 1 20 20 THR HA H 20 4.700 4.700 4.410 0.290 19079 105 1 1 . 1 1 20 20 THR C C 20 171.105 171.105 174.799 -3.694 19079 106 1 1 . 1 1 20 20 THR CA C 20 58.570 58.570 62.038 -3.468 19079 107 1 1 . 1 1 20 20 THR CB C 20 69.724 69.724 70.476 -0.752 19079 108 1 1 . 1 1 20 20 THR H H 20 7.399 7.399 7.537 -0.138 19079 109 1 1 . 1 1 21 21 THR N N 21 114.194 114.194 119.542 -5.348 19079 110 1 1 . 1 1 21 21 THR HA H 21 5.124 5.124 4.073 1.051 19079 111 1 1 . 1 1 21 21 THR CA C 21 58.991 58.991 62.280 -3.289 19079 112 1 1 . 1 1 21 21 THR CB C 21 71.564 71.564 68.533 3.031 19079 113 1 1 . 1 1 21 21 THR H H 21 8.410 8.410 8.023 0.387 19079 114 1 1 . 1 1 22 22 PRO HA H 22 4.432 4.432 4.444 -0.012 19079 115 1 1 . 1 1 22 22 PRO C C 22 175.895 175.895 176.692 -0.797 19079 116 1 1 . 1 1 22 22 PRO CA C 22 63.390 63.390 62.352 1.038 19079 117 1 1 . 1 1 22 22 PRO CB C 22 32.203 32.203 32.319 -0.117 19079 118 1 1 . 1 1 23 23 ASN N N 23 119.233 119.233 117.649 1.584 19079 119 1 1 . 1 1 23 23 ASN HA H 23 5.032 5.032 4.528 0.504 19079 120 1 1 . 1 1 23 23 ASN C C 23 175.963 175.963 175.748 0.215 19079 121 1 1 . 1 1 23 23 ASN CA C 23 52.452 52.452 53.969 -1.518 19079 122 1 1 . 1 1 23 23 ASN CB C 23 41.420 41.420 39.067 2.353 19079 123 1 1 . 1 1 23 23 ASN H H 23 9.227 9.227 8.497 0.730 19079 124 1 1 . 1 1 24 24 ASP N N 24 119.074 119.074 118.661 0.413 19079 125 1 1 . 1 1 24 24 ASP HA H 24 4.417 4.417 4.676 -0.259 19079 126 1 1 . 1 1 24 24 ASP C C 24 176.983 176.983 176.162 0.821 19079 127 1 1 . 1 1 24 24 ASP CA C 24 56.942 56.942 54.444 2.498 19079 128 1 1 . 1 1 24 24 ASP CB C 24 40.266 40.266 40.163 0.103 19079 129 1 1 . 1 1 24 24 ASP H H 24 8.649 8.649 8.684 -0.035 19079 130 1 1 . 1 1 25 25 GLN N N 25 116.580 116.580 117.020 -0.440 19079 131 1 1 . 1 1 25 25 GLN HA H 25 4.425 4.425 4.434 -0.009 19079 132 1 1 . 1 1 25 25 GLN C C 25 177.373 177.373 176.047 1.326 19079 133 1 1 . 1 1 25 25 GLN CA C 25 55.419 55.419 55.942 -0.523 19079 134 1 1 . 1 1 25 25 GLN CB C 25 28.933 28.933 29.806 -0.873 19079 135 1 1 . 1 1 25 25 GLN H H 25 9.028 9.028 8.234 0.794 19079 136 1 1 . 1 1 26 26 THR N N 26 122.196 122.196 115.128 7.068 19079 137 1 1 . 1 1 26 26 THR HA H 26 4.779 4.779 4.174 0.605 19079 138 1 1 . 1 1 26 26 THR C C 26 174.583 174.583 175.170 -0.587 19079 139 1 1 . 1 1 26 26 THR CA C 26 65.218 65.218 63.319 1.899 19079 140 1 1 . 1 1 26 26 THR CB C 26 68.963 68.963 69.000 -0.037 19079 141 1 1 . 1 1 26 26 THR H H 26 7.692 7.692 7.545 0.147 19079 142 1 1 . 1 1 27 27 ILE N N 27 129.367 129.367 125.727 3.640 19079 143 1 1 . 1 1 27 27 ILE HA H 27 4.112 4.112 3.724 0.388 19079 144 1 1 . 1 1 27 27 ILE C C 27 175.734 175.734 176.245 -0.511 19079 145 1 1 . 1 1 27 27 ILE CA C 27 62.558 62.558 64.360 -1.802 19079 146 1 1 . 1 1 27 27 ILE CB C 27 40.357 40.357 38.367 1.990 19079 147 1 1 . 1 1 27 27 ILE H H 27 9.785 9.785 8.193 1.592 19079 148 1 1 . 1 1 28 28 LEU N N 28 120.773 120.773 116.902 3.871 19079 149 1 1 . 1 1 28 28 LEU HA H 28 4.506 4.506 4.710 -0.204 19079 150 1 1 . 1 1 28 28 LEU C C 28 173.083 173.083 174.387 -1.304 19079 151 1 1 . 1 1 28 28 LEU CA C 28 55.337 55.337 54.187 1.150 19079 152 1 1 . 1 1 28 28 LEU CB C 28 45.942 45.942 45.534 0.408 19079 153 1 1 . 1 1 28 28 LEU H H 28 7.814 7.814 7.447 0.367 19079 154 1 1 . 1 1 29 29 LEU N N 29 128.285 128.285 120.350 7.935 19079 155 1 1 . 1 1 29 29 LEU HA H 29 4.798 4.798 5.055 -0.257 19079 156 1 1 . 1 1 29 29 LEU C C 29 174.589 174.589 175.047 -0.458 19079 157 1 1 . 1 1 29 29 LEU CA C 29 54.133 54.133 54.375 -0.242 19079 158 1 1 . 1 1 29 29 LEU CB C 29 43.909 43.909 46.043 -2.134 19079 159 1 1 . 1 1 29 29 LEU H H 29 8.653 8.653 8.119 0.534 19079 160 1 1 . 1 1 30 30 ALA N N 30 132.532 132.532 124.342 8.190 19079 161 1 1 . 1 1 30 30 ALA HA H 30 4.995 4.995 4.940 0.055 19079 162 1 1 . 1 1 30 30 ALA C C 30 177.994 177.994 177.558 0.436 19079 163 1 1 . 1 1 30 30 ALA CA C 30 49.621 49.621 50.687 -1.066 19079 164 1 1 . 1 1 30 30 ALA CB C 30 18.022 18.022 19.437 -1.415 19079 165 1 1 . 1 1 30 30 ALA H H 30 9.179 9.179 8.679 0.500 19079 166 1 1 . 1 1 31 31 LEU N N 31 126.651 126.651 124.377 2.274 19079 167 1 1 . 1 1 31 31 LEU HA H 31 4.619 4.619 3.917 0.702 19079 168 1 1 . 1 1 31 31 LEU CA C 31 59.032 59.032 57.812 1.220 19079 169 1 1 . 1 1 31 31 LEU CB C 31 41.356 41.356 41.271 0.085 19079 170 1 1 . 1 1 31 31 LEU H H 31 8.828 8.828 9.027 -0.199 19079 171 1 1 . 1 1 32 32 THR HA H 32 4.283 4.283 3.908 0.375 19079 172 1 1 . 1 1 32 32 THR C C 32 173.341 173.341 174.876 -1.535 19079 173 1 1 . 1 1 32 32 THR CA C 32 63.443 63.443 64.491 -1.048 19079 174 1 1 . 1 1 32 32 THR CB C 32 68.639 68.639 68.496 0.143 19079 175 1 1 . 1 1 32 32 THR H H 32 8.105 8.105 7.991 0.114 19079 176 1 1 . 1 1 33 33 ALA N N 33 122.960 122.960 120.210 2.750 19079 177 1 1 . 1 1 33 33 ALA HA H 33 5.301 5.301 4.481 0.820 19079 178 1 1 . 1 1 33 33 ALA C C 33 175.467 175.467 175.685 -0.218 19079 179 1 1 . 1 1 33 33 ALA CA C 33 50.782 50.782 50.559 0.223 19079 180 1 1 . 1 1 33 33 ALA CB C 33 20.256 20.256 20.032 0.224 19079 181 1 1 . 1 1 33 33 ALA H H 33 7.328 7.328 7.666 -0.338 19079 182 1 1 . 1 1 34 34 ASP N N 34 115.713 115.713 115.425 0.288 19079 183 1 1 . 1 1 34 34 ASP HA H 34 4.194 4.194 4.224 -0.030 19079 184 1 1 . 1 1 34 34 ASP C C 34 175.750 175.750 174.509 1.241 19079 185 1 1 . 1 1 34 34 ASP CA C 34 55.269 55.269 55.296 -0.027 19079 186 1 1 . 1 1 34 34 ASP CB C 34 40.525 40.525 39.505 1.020 19079 187 1 1 . 1 1 34 34 ASP H H 34 7.927 7.927 7.287 0.640 19079 188 1 1 . 1 1 35 35 LEU N N 35 119.485 119.485 119.180 0.305 19079 189 1 1 . 1 1 35 35 LEU HA H 35 5.102 5.102 5.227 -0.125 19079 190 1 1 . 1 1 35 35 LEU C C 35 173.060 173.060 174.672 -1.612 19079 191 1 1 . 1 1 35 35 LEU CA C 35 54.268 54.268 53.557 0.711 19079 192 1 1 . 1 1 35 35 LEU CB C 35 47.326 47.326 45.653 1.673 19079 193 1 1 . 1 1 35 35 LEU H H 35 7.820 7.820 7.231 0.589 19079 194 1 1 . 1 1 36 36 GLN N N 36 127.748 127.748 122.662 5.086 19079 195 1 1 . 1 1 36 36 GLN HA H 36 4.790 4.790 4.729 0.061 19079 196 1 1 . 1 1 36 36 GLN C C 36 173.161 173.161 174.376 -1.215 19079 197 1 1 . 1 1 36 36 GLN CA C 36 55.286 55.286 54.239 1.047 19079 198 1 1 . 1 1 36 36 GLN CB C 36 32.594 32.594 33.286 -0.692 19079 199 1 1 . 1 1 36 36 GLN H H 36 9.050 9.050 8.731 0.319 19079 200 1 1 . 1 1 37 37 ILE N N 37 125.606 125.606 121.463 4.143 19079 201 1 1 . 1 1 37 37 ILE HA H 37 4.807 4.807 4.557 0.250 19079 202 1 1 . 1 1 37 37 ILE C C 37 174.921 174.921 174.154 0.767 19079 203 1 1 . 1 1 37 37 ILE CA C 37 59.869 59.869 60.085 -0.216 19079 204 1 1 . 1 1 37 37 ILE CB C 37 39.750 39.750 39.893 -0.143 19079 205 1 1 . 1 1 37 37 ILE H H 37 8.828 8.828 8.268 0.560 19079 206 1 1 . 1 1 38 38 ASP N N 38 128.163 128.163 126.626 1.537 19079 207 1 1 . 1 1 38 38 ASP HA H 38 5.259 5.259 4.920 0.339 19079 208 1 1 . 1 1 38 38 ASP C C 38 176.122 176.122 175.185 0.937 19079 209 1 1 . 1 1 38 38 ASP CA C 38 52.316 52.316 51.728 0.588 19079 210 1 1 . 1 1 38 38 ASP CB C 38 43.251 43.251 44.645 -1.394 19079 211 1 1 . 1 1 38 38 ASP H H 38 9.226 9.226 7.985 1.241 19079 212 1 1 . 1 1 39 39 GLY N N 39 107.273 107.273 106.718 0.555 19079 213 1 1 . 1 1 39 39 GLY C C 39 171.808 171.808 173.288 -1.480 19079 214 1 1 . 1 1 39 39 GLY CA C 39 45.108 45.108 44.433 0.675 19079 215 1 1 . 1 1 39 39 GLY H H 39 8.682 8.682 8.564 0.118 19079 216 1 1 . 1 1 40 40 CYS N N 40 114.602 114.602 118.525 -3.923 19079 217 1 1 . 1 1 40 40 CYS HA H 40 4.832 4.832 4.550 0.282 19079 218 1 1 . 1 1 40 40 CYS CA C 40 55.517 55.517 57.802 -2.285 19079 219 1 1 . 1 1 40 40 CYS CB C 40 30.872 30.872 31.061 -0.190 19079 220 1 1 . 1 1 40 40 CYS H H 40 7.784 7.784 8.080 -0.296 19079 221 1 1 . 1 1 41 41 ASP N N 41 121.388 121.388 122.138 -0.750 19079 222 1 1 . 1 1 41 41 ASP HA H 41 4.618 4.618 4.715 -0.097 19079 223 1 1 . 1 1 41 41 ASP CA C 41 54.808 54.808 54.575 0.233 19079 224 1 1 . 1 1 41 41 ASP CB C 41 41.299 41.299 40.972 0.327 19079 225 1 1 . 1 1 41 41 ASP H H 41 8.496 8.496 8.399 0.097 19079 226 1 1 . 1 1 42 42 GLN N N 42 118.506 118.506 119.683 -1.177 19079 227 1 1 . 1 1 42 42 GLN HA H 42 4.900 4.900 4.629 0.271 19079 228 1 1 . 1 1 42 42 GLN CA C 42 52.529 52.529 53.021 -0.492 19079 229 1 1 . 1 1 42 42 GLN CB C 42 30.580 30.580 28.457 2.123 19079 230 1 1 . 1 1 42 42 GLN H H 42 7.592 7.592 7.846 -0.254 19079 231 1 1 . 1 1 43 43 PRO HA H 43 4.438 4.438 4.542 -0.104 19079 232 1 1 . 1 1 43 43 PRO CA C 43 63.283 63.283 62.886 0.397 19079 233 1 1 . 1 1 43 43 PRO CB C 43 32.178 32.178 32.475 -0.297 19079 234 1 1 . 1 1 44 44 GLY N N 44 109.062 109.062 109.505 -0.443 19079 235 1 1 . 1 1 44 44 GLY CA C 44 45.265 45.265 43.558 1.707 19079 236 1 1 . 1 1 44 44 GLY H H 44 8.249 8.249 7.859 0.390 19079 237 1 1 . 1 1 45 45 PRO HA H 45 4.535 4.535 4.334 0.201 19079 238 1 1 . 1 1 45 45 PRO CA C 45 63.511 63.511 63.662 -0.151 19079 239 1 1 . 1 1 45 45 PRO CB C 45 33.193 33.193 32.042 1.151 19079 240 1 1 . 1 1 46 46 ASP N N 46 121.254 121.254 122.187 -0.933 19079 241 1 1 . 1 1 46 46 ASP HA H 46 4.784 4.784 4.371 0.413 19079 242 1 1 . 1 1 46 46 ASP C C 46 174.555 174.555 174.834 -0.279 19079 243 1 1 . 1 1 46 46 ASP CA C 46 55.268 55.268 55.441 -0.173 19079 244 1 1 . 1 1 46 46 ASP CB C 46 43.360 43.360 40.231 3.129 19079 245 1 1 . 1 1 46 46 ASP H H 46 8.533 8.533 8.467 0.066 19079 246 1 1 . 1 1 47 47 ASN N N 47 118.452 118.452 121.001 -2.549 19079 247 1 1 . 1 1 47 47 ASN HA H 47 4.912 4.912 4.920 -0.008 19079 248 1 1 . 1 1 47 47 ASN C C 47 172.394 172.394 174.354 -1.960 19079 249 1 1 . 1 1 47 47 ASN CA C 47 52.877 52.877 51.821 1.056 19079 250 1 1 . 1 1 47 47 ASN CB C 47 42.185 42.185 40.259 1.926 19079 251 1 1 . 1 1 47 47 ASN H H 47 8.668 8.668 8.040 0.628 19079 252 1 1 . 1 1 48 48 ILE N N 48 126.910 126.910 125.276 1.634 19079 253 1 1 . 1 1 48 48 ILE HA H 48 5.269 5.269 3.983 1.286 19079 254 1 1 . 1 1 48 48 ILE CA C 48 57.457 57.457 61.054 -3.597 19079 255 1 1 . 1 1 48 48 ILE CB C 48 39.411 39.411 37.623 1.788 19079 256 1 1 . 1 1 48 48 ILE H H 48 8.377 8.377 8.260 0.117 19079 257 1 1 . 1 1 49 49 PRO HA H 49 4.571 4.571 4.475 0.096 19079 258 1 1 . 1 1 49 49 PRO CA C 49 62.019 62.019 62.509 -0.490 19079 259 1 1 . 1 1 49 49 PRO CB C 49 34.068 34.068 32.721 1.347 19079 260 1 1 . 1 1 50 50 ASP N N 50 117.512 117.512 115.078 2.434 19079 261 1 1 . 1 1 50 50 ASP HA H 50 4.847 4.847 4.666 0.181 19079 262 1 1 . 1 1 50 50 ASP C C 50 175.105 175.105 175.055 0.050 19079 263 1 1 . 1 1 50 50 ASP CA C 50 52.186 52.186 53.929 -1.743 19079 264 1 1 . 1 1 50 50 ASP CB C 50 40.206 40.206 40.824 -0.618 19079 265 1 1 . 1 1 50 50 ASP H H 50 7.928 7.928 8.621 -0.693 19079 266 1 1 . 1 1 51 51 CYS N N 51 117.841 117.841 119.674 -1.833 19079 267 1 1 . 1 1 51 51 CYS HA H 51 4.645 4.645 4.719 -0.074 19079 268 1 1 . 1 1 51 51 CYS C C 51 173.952 173.952 173.268 0.684 19079 269 1 1 . 1 1 51 51 CYS CA C 51 57.079 57.079 57.765 -0.686 19079 270 1 1 . 1 1 51 51 CYS CB C 51 31.834 31.834 30.287 1.547 19079 271 1 1 . 1 1 51 51 CYS H H 51 6.998 6.998 7.818 -0.820 19079 272 1 1 . 1 1 52 52 ASP N N 52 113.831 113.831 124.562 -10.731 19079 273 1 1 . 1 1 52 52 ASP HA H 52 4.790 4.790 4.705 0.085 19079 274 1 1 . 1 1 52 52 ASP C C 52 177.522 177.522 175.151 2.371 19079 275 1 1 . 1 1 52 52 ASP CA C 52 52.266 52.266 52.619 -0.353 19079 276 1 1 . 1 1 52 52 ASP CB C 52 41.108 41.108 39.229 1.879 19079 277 1 1 . 1 1 52 52 ASP H H 52 7.839 7.839 8.515 -0.676 19079 278 1 1 . 1 1 53 53 CYS N N 53 120.924 120.924 121.124 -0.200 19079 279 1 1 . 1 1 53 53 CYS HA H 53 4.176 4.176 4.317 -0.141 19079 280 1 1 . 1 1 53 53 CYS C C 53 177.320 177.320 176.452 0.868 19079 281 1 1 . 1 1 53 53 CYS CA C 53 62.456 62.456 59.275 3.181 19079 282 1 1 . 1 1 53 53 CYS CB C 53 31.077 31.077 27.659 3.418 19079 283 1 1 . 1 1 53 53 CYS H H 53 8.180 8.180 8.497 -0.317 19079 284 1 1 . 1 1 54 54 THR N N 54 108.381 108.381 111.901 -3.520 19079 285 1 1 . 1 1 54 54 THR HA H 54 4.168 4.168 4.463 -0.295 19079 286 1 1 . 1 1 54 54 THR C C 54 172.044 172.044 174.321 -2.277 19079 287 1 1 . 1 1 54 54 THR CA C 54 60.645 60.645 63.736 -3.091 19079 288 1 1 . 1 1 54 54 THR CB C 54 69.425 69.425 69.612 -0.187 19079 289 1 1 . 1 1 54 54 THR H H 54 8.728 8.728 8.291 0.437 19079 290 1 1 . 1 1 55 55 SER N N 55 114.465 114.465 119.379 -4.914 19079 291 1 1 . 1 1 55 55 SER HA H 55 4.906 4.906 5.029 -0.123 19079 292 1 1 . 1 1 55 55 SER C C 55 172.897 172.897 174.395 -1.498 19079 293 1 1 . 1 1 55 55 SER CA C 55 56.279 56.279 57.444 -1.165 19079 294 1 1 . 1 1 55 55 SER CB C 55 66.156 66.156 63.419 2.737 19079 295 1 1 . 1 1 55 55 SER H H 55 7.433 7.433 7.818 -0.385 19079 296 1 1 . 1 1 56 56 GLY N N 56 106.492 106.492 111.072 -4.580 19079 297 1 1 . 1 1 56 56 GLY C C 56 172.400 172.400 172.371 0.029 19079 298 1 1 . 1 1 56 56 GLY CA C 56 46.778 46.778 44.315 2.463 19079 299 1 1 . 1 1 56 56 GLY H H 56 8.431 8.431 8.703 -0.272 19079 300 1 1 . 1 1 57 57 CYS N N 57 123.907 123.907 117.735 6.172 19079 301 1 1 . 1 1 57 57 CYS HA H 57 5.755 5.755 5.707 0.048 19079 302 1 1 . 1 1 57 57 CYS C C 57 171.012 171.012 173.126 -2.114 19079 303 1 1 . 1 1 57 57 CYS CA C 57 54.317 54.317 56.608 -2.291 19079 304 1 1 . 1 1 57 57 CYS CB C 57 32.040 32.040 30.617 1.423 19079 305 1 1 . 1 1 57 57 CYS H H 57 9.782 9.782 8.662 1.120 19079 306 1 1 . 1 1 58 58 TYR N N 58 121.251 121.251 121.782 -0.531 19079 307 1 1 . 1 1 58 58 TYR HA H 58 6.413 6.413 5.673 0.740 19079 308 1 1 . 1 1 58 58 TYR C C 58 172.177 172.177 173.475 -1.298 19079 309 1 1 . 1 1 58 58 TYR CA C 58 54.179 54.179 54.256 -0.077 19079 310 1 1 . 1 1 58 58 TYR CB C 58 44.751 44.751 41.877 2.874 19079 311 1 1 . 1 1 58 58 TYR H H 58 9.324 9.324 9.002 0.322 19079 312 1 1 . 1 1 59 59 TYR N N 59 119.921 119.921 125.164 -5.243 19079 313 1 1 . 1 1 59 59 TYR HA H 59 3.155 3.155 3.616 -0.461 19079 314 1 1 . 1 1 59 59 TYR C C 59 173.490 173.490 174.447 -0.957 19079 315 1 1 . 1 1 59 59 TYR CA C 59 56.439 56.439 56.911 -0.472 19079 316 1 1 . 1 1 59 59 TYR CB C 59 38.280 38.280 37.190 1.090 19079 317 1 1 . 1 1 59 59 TYR H H 59 7.851 7.851 7.656 0.195 19079 318 1 1 . 1 1 60 60 SER N N 60 122.333 122.333 122.417 -0.084 19079 319 1 1 . 1 1 60 60 SER HA H 60 4.286 4.286 4.365 -0.079 19079 320 1 1 . 1 1 60 60 SER C C 60 174.282 174.282 175.551 -1.269 19079 321 1 1 . 1 1 60 60 SER CA C 60 54.201 54.201 57.250 -3.049 19079 322 1 1 . 1 1 60 60 SER CB C 60 63.429 63.429 63.888 -0.459 19079 323 1 1 . 1 1 60 60 SER H H 60 7.184 7.184 8.291 -1.107 19079 324 1 1 . 1 1 61 61 ARG N N 61 131.876 131.876 128.527 3.349 19079 325 1 1 . 1 1 61 61 ARG HA H 61 3.755 3.755 4.282 -0.527 19079 326 1 1 . 1 1 61 61 ARG C C 61 179.454 179.454 177.820 1.634 19079 327 1 1 . 1 1 61 61 ARG CA C 61 58.733 58.733 57.496 1.237 19079 328 1 1 . 1 1 61 61 ARG CB C 61 29.216 29.216 29.480 -0.264 19079 329 1 1 . 1 1 61 61 ARG H H 61 9.058 9.058 9.117 -0.059 19079 330 1 1 . 1 1 62 62 SER N N 62 115.806 115.806 113.804 2.002 19079 331 1 1 . 1 1 62 62 SER HA H 62 4.021 4.021 4.342 -0.321 19079 332 1 1 . 1 1 62 62 SER C C 62 177.405 177.405 175.044 2.361 19079 333 1 1 . 1 1 62 62 SER CA C 62 60.787 60.787 60.848 -0.061 19079 334 1 1 . 1 1 62 62 SER CB C 62 60.994 60.994 63.446 -2.452 19079 335 1 1 . 1 1 62 62 SER H H 62 8.933 8.933 8.333 0.600 19079 336 1 1 . 1 1 63 63 LEU N N 63 120.142 120.142 119.875 0.267 19079 337 1 1 . 1 1 63 63 LEU HA H 63 4.315 4.315 4.588 -0.273 19079 338 1 1 . 1 1 63 63 LEU C C 63 175.462 175.462 176.331 -0.869 19079 339 1 1 . 1 1 63 63 LEU CA C 63 54.589 54.589 53.936 0.653 19079 340 1 1 . 1 1 63 63 LEU CB C 63 41.583 41.583 42.521 -0.938 19079 341 1 1 . 1 1 63 63 LEU H H 63 7.372 7.372 7.218 0.154 19079 342 1 1 . 1 1 64 64 ASP N N 64 124.723 124.723 119.093 5.630 19079 343 1 1 . 1 1 64 64 ASP HA H 64 4.308 4.308 4.466 -0.158 19079 344 1 1 . 1 1 64 64 ASP C C 64 174.405 174.405 174.876 -0.471 19079 345 1 1 . 1 1 64 64 ASP CA C 64 54.269 54.269 55.450 -1.181 19079 346 1 1 . 1 1 64 64 ASP CB C 64 39.892 39.892 40.130 -0.238 19079 347 1 1 . 1 1 64 64 ASP H H 64 8.122 8.122 7.835 0.287 19079 348 1 1 . 1 1 65 65 ARG N N 65 111.932 111.932 113.791 -1.859 19079 349 1 1 . 1 1 65 65 ARG HA H 65 4.648 4.648 4.183 0.465 19079 350 1 1 . 1 1 65 65 ARG C C 65 172.842 172.842 173.945 -1.103 19079 351 1 1 . 1 1 65 65 ARG CA C 65 54.327 54.327 54.754 -0.427 19079 352 1 1 . 1 1 65 65 ARG CB C 65 33.013 33.013 31.521 1.492 19079 353 1 1 . 1 1 65 65 ARG H H 65 7.434 7.434 8.191 -0.757 19079 354 1 1 . 1 1 66 66 TYR N N 66 121.286 121.286 122.049 -0.763 19079 355 1 1 . 1 1 66 66 TYR HA H 66 4.821 4.821 4.617 0.204 19079 356 1 1 . 1 1 66 66 TYR C C 66 176.123 176.123 176.335 -0.212 19079 357 1 1 . 1 1 66 66 TYR CA C 66 56.752 56.752 59.200 -2.448 19079 358 1 1 . 1 1 66 66 TYR CB C 66 41.877 41.877 38.875 3.002 19079 359 1 1 . 1 1 66 66 TYR H H 66 8.068 8.068 8.282 -0.214 19079 360 1 1 . 1 1 67 67 ILE N N 67 119.080 119.080 120.069 -0.989 19079 361 1 1 . 1 1 67 67 ILE HA H 67 4.620 4.620 4.823 -0.203 19079 362 1 1 . 1 1 67 67 ILE CA C 67 57.840 57.840 57.205 0.635 19079 363 1 1 . 1 1 67 67 ILE CB C 67 41.191 41.191 41.435 -0.244 19079 364 1 1 . 1 1 67 67 ILE H H 67 8.640 8.640 8.681 -0.041 19079 365 1 1 . 1 1 68 68 PRO HA H 68 4.772 4.772 4.911 -0.139 19079 366 1 1 . 1 1 68 68 PRO CA C 68 62.709 62.709 62.718 -0.009 19079 367 1 1 . 1 1 68 68 PRO CB C 68 32.923 32.923 31.524 1.399 19079 368 1 1 . 1 1 69 69 VAL N N 69 120.668 120.668 118.003 2.665 19079 369 1 1 . 1 1 69 69 VAL HA H 69 4.764 4.764 4.707 0.057 19079 370 1 1 . 1 1 69 69 VAL C C 69 171.299 171.299 173.784 -2.485 19079 371 1 1 . 1 1 69 69 VAL CA C 69 60.758 60.758 59.091 1.667 19079 372 1 1 . 1 1 69 69 VAL CB C 69 36.158 36.158 35.850 0.308 19079 373 1 1 . 1 1 69 69 VAL H H 69 8.866 8.866 8.679 0.187 19079 374 1 1 . 1 1 70 70 GLU N N 70 127.352 127.352 121.808 5.544 19079 375 1 1 . 1 1 70 70 GLU HA H 70 4.694 4.694 5.024 -0.330 19079 376 1 1 . 1 1 70 70 GLU C C 70 176.084 176.084 175.456 0.628 19079 377 1 1 . 1 1 70 70 GLU CA C 70 55.438 55.438 55.137 0.301 19079 378 1 1 . 1 1 70 70 GLU CB C 70 31.941 31.941 31.564 0.377 19079 379 1 1 . 1 1 70 70 GLU H H 70 8.303 8.303 8.571 -0.268 19079 380 1 1 . 1 1 71 71 CYS N N 71 118.985 118.985 124.473 -5.488 19079 381 1 1 . 1 1 71 71 CYS HA H 71 5.283 5.283 4.915 0.368 19079 382 1 1 . 1 1 71 71 CYS C C 71 173.987 173.987 173.495 0.492 19079 383 1 1 . 1 1 71 71 CYS CA C 71 56.927 56.927 55.879 1.048 19079 384 1 1 . 1 1 71 71 CYS CB C 71 32.056 32.056 31.249 0.807 19079 385 1 1 . 1 1 71 71 CYS H H 71 8.044 8.044 9.107 -1.063 19079 386 1 1 . 1 1 72 72 GLU N N 72 119.188 119.188 120.347 -1.159 19079 387 1 1 . 1 1 72 72 GLU HA H 72 4.550 4.550 4.465 0.085 19079 388 1 1 . 1 1 72 72 GLU C C 72 175.540 175.540 174.930 0.610 19079 389 1 1 . 1 1 72 72 GLU CA C 72 54.422 54.422 54.177 0.245 19079 390 1 1 . 1 1 72 72 GLU CB C 72 32.723 32.723 30.522 2.201 19079 391 1 1 . 1 1 72 72 GLU H H 72 8.651 8.651 8.854 -0.203 19079 392 1 1 . 1 1 73 73 ALA N N 73 128.127 128.127 128.119 0.008 19079 393 1 1 . 1 1 73 73 ALA HA H 73 4.894 4.894 4.254 0.640 19079 394 1 1 . 1 1 73 73 ALA C C 73 177.065 177.065 176.599 0.466 19079 395 1 1 . 1 1 73 73 ALA CA C 73 51.934 51.934 52.124 -0.191 19079 396 1 1 . 1 1 73 73 ALA CB C 73 19.744 19.744 19.385 0.359 19079 397 1 1 . 1 1 73 73 ALA H H 73 8.825 8.825 8.460 0.365 19079 398 1 1 . 1 1 74 74 HIS N N 74 120.049 120.049 122.309 -2.260 19079 399 1 1 . 1 1 74 74 HIS HA H 74 4.730 4.730 4.725 0.005 19079 400 1 1 . 1 1 74 74 HIS C C 74 173.973 173.973 175.238 -1.265 19079 401 1 1 . 1 1 74 74 HIS CA C 74 54.940 54.940 55.221 -0.281 19079 402 1 1 . 1 1 74 74 HIS CB C 74 32.641 32.641 32.907 -0.266 19079 403 1 1 . 1 1 74 74 HIS H H 74 8.813 8.813 8.285 0.528 19079 404 1 1 . 1 1 75 75 ASP N N 75 125.469 125.469 126.404 -0.935 19079 405 1 1 . 1 1 75 75 ASP HA H 75 4.619 4.619 4.553 0.066 19079 406 1 1 . 1 1 75 75 ASP CA C 75 57.576 57.576 57.300 0.276 19079 407 1 1 . 1 1 75 75 ASP CB C 75 42.215 42.215 41.580 0.635 19079 408 1 1 . 1 1 75 75 ASP H H 75 8.951 8.951 8.999 -0.048 19079 409 1 1 . 1 1 76 76 TRP N N 76 113.768 113.768 114.550 -0.782 19079 410 1 1 . 1 1 76 76 TRP HA H 76 5.455 5.455 5.224 0.231 19079 411 1 1 . 1 1 76 76 TRP CA C 76 54.833 54.833 56.199 -1.366 19079 412 1 1 . 1 1 76 76 TRP CB C 76 31.701 31.701 30.132 1.569 19079 413 1 1 . 1 1 76 76 TRP H H 76 7.574 7.574 7.407 0.167 19079 414 1 1 . 1 1 77 77 TYR N N 77 122.650 122.650 121.160 1.490 19079 415 1 1 . 1 1 77 77 TYR CA C 77 57.248 57.248 55.427 1.821 19079 416 1 1 . 1 1 77 77 TYR CB C 77 33.700 33.700 41.648 -7.948 19079 417 1 1 . 1 1 77 77 TYR H H 77 8.981 8.981 8.208 0.773 19079 418 1 1 . 1 1 78 78 PRO HA H 78 4.493 4.493 4.870 -0.377 19079 419 1 1 . 1 1 78 78 PRO CA C 78 62.242 62.242 62.790 -0.548 19079 420 1 1 . 1 1 78 78 PRO CB C 78 31.237 31.237 32.129 -0.892 19079 421 1 1 . 1 1 79 79 VAL N N 79 123.871 123.871 125.425 -1.554 19079 422 1 1 . 1 1 79 79 VAL HA H 79 3.953 3.953 4.471 -0.518 19079 423 1 1 . 1 1 79 79 VAL C C 79 174.991 174.991 174.297 0.694 19079 424 1 1 . 1 1 79 79 VAL CA C 79 61.545 61.545 59.394 2.151 19079 425 1 1 . 1 1 79 79 VAL CB C 79 33.090 33.090 33.650 -0.560 19079 426 1 1 . 1 1 79 79 VAL H H 79 8.512 8.512 8.953 -0.441 19079 427 1 1 . 1 1 80 80 GLU N N 80 124.050 124.050 128.894 -4.844 19079 428 1 1 . 1 1 80 80 GLU HA H 80 4.072 4.072 4.172 -0.100 19079 429 1 1 . 1 1 80 80 GLU C C 80 175.607 175.607 175.745 -0.138 19079 430 1 1 . 1 1 80 80 GLU CA C 80 56.291 56.291 56.663 -0.373 19079 431 1 1 . 1 1 80 80 GLU CB C 80 30.272 30.272 29.405 0.867 19079 432 1 1 . 1 1 80 80 GLU H H 80 8.068 8.068 8.503 -0.435 19079 433 1 1 . 1 1 81 81 GLU N N 81 120.701 120.701 122.922 -2.221 19079 434 1 1 . 1 1 81 81 GLU HA H 81 4.194 4.194 4.276 -0.082 19079 435 1 1 . 1 1 81 81 GLU C C 81 175.817 175.817 176.382 -0.565 19079 436 1 1 . 1 1 81 81 GLU CA C 81 57.390 57.390 57.306 0.084 19079 437 1 1 . 1 1 81 81 GLU CB C 81 30.713 30.713 29.751 0.962 19079 438 1 1 . 1 1 81 81 GLU H H 81 8.751 8.751 8.673 0.078 19079 439 1 1 . 1 1 82 82 THR N N 82 115.162 115.162 117.749 -2.587 19079 440 1 1 . 1 1 82 82 THR HA H 82 4.688 4.688 4.628 0.060 19079 441 1 1 . 1 1 82 82 THR CA C 82 60.041 60.041 59.810 0.231 19079 442 1 1 . 1 1 82 82 THR CB C 82 73.866 73.866 70.918 2.948 19079 443 1 1 . 1 1 82 82 THR H H 82 8.631 8.631 8.594 0.037 19079 444 1 1 . 1 1 83 83 GLN N N 83 116.650 116.650 120.203 -3.553 19079 445 1 1 . 1 1 83 83 GLN HA H 83 4.629 4.629 3.990 0.639 19079 446 1 1 . 1 1 83 83 GLN CA C 83 57.643 57.643 58.384 -0.741 19079 447 1 1 . 1 1 83 83 GLN CB C 83 30.537 30.537 28.695 1.842 19079 448 1 1 . 1 1 83 83 GLN H H 83 8.714 8.714 8.700 0.014 19079 449 1 1 . 1 1 86 86 PRO HA H 86 4.779 4.779 4.447 0.332 19079 450 1 1 . 1 1 86 86 PRO CA C 86 62.018 62.018 62.544 -0.526 19079 451 1 1 . 1 1 86 86 PRO CB C 86 32.818 32.818 32.826 -0.008 19079 452 1 1 . 1 1 87 87 LYS N N 87 123.136 123.136 120.523 2.613 19079 453 1 1 . 1 1 87 87 LYS HA H 87 4.545 4.545 4.512 0.033 19079 454 1 1 . 1 1 87 87 LYS C C 87 176.411 176.411 176.632 -0.221 19079 455 1 1 . 1 1 87 87 LYS CA C 87 57.800 57.800 56.969 0.831 19079 456 1 1 . 1 1 87 87 LYS CB C 87 32.322 32.322 32.465 -0.143 19079 457 1 1 . 1 1 87 87 LYS H H 87 8.936 8.936 8.454 0.482 19079 458 1 1 . 1 1 88 88 HIS N N 88 119.788 119.788 122.062 -2.274 19079 459 1 1 . 1 1 88 88 HIS HA H 88 4.973 4.973 4.615 0.358 19079 460 1 1 . 1 1 88 88 HIS C C 88 171.431 171.431 173.009 -1.578 19079 461 1 1 . 1 1 88 88 HIS CA C 88 55.171 55.171 55.671 -0.500 19079 462 1 1 . 1 1 88 88 HIS CB C 88 29.695 29.695 33.529 -3.833 19079 463 1 1 . 1 1 88 88 HIS H H 88 8.490 8.490 8.367 0.123 19079 464 1 1 . 1 1 89 89 ILE N N 89 120.371 120.371 120.684 -0.313 19079 465 1 1 . 1 1 89 89 ILE HA H 89 4.453 4.453 4.714 -0.261 19079 466 1 1 . 1 1 89 89 ILE C C 89 176.167 176.167 174.484 1.683 19079 467 1 1 . 1 1 89 89 ILE CA C 89 60.066 60.066 59.230 0.836 19079 468 1 1 . 1 1 89 89 ILE CB C 89 38.855 38.855 38.627 0.228 19079 469 1 1 . 1 1 89 89 ILE H H 89 8.417 8.417 8.246 0.171 19079 470 1 1 . 1 1 90 90 GLN N N 90 122.913 122.913 124.332 -1.419 19079 471 1 1 . 1 1 90 90 GLN HA H 90 5.313 5.313 4.147 1.166 19079 472 1 1 . 1 1 90 90 GLN CA C 90 54.194 54.194 54.153 0.041 19079 473 1 1 . 1 1 90 90 GLN CB C 90 32.780 32.780 32.466 0.314 19079 474 1 1 . 1 1 90 90 GLN H H 90 8.286 8.286 8.373 -0.087 19079 475 1 1 . 1 1 91 91 TYR N N 91 117.779 117.779 116.097 1.682 19079 476 1 1 . 1 1 91 91 TYR HA H 91 5.394 5.394 5.160 0.234 19079 477 1 1 . 1 1 91 91 TYR C C 91 175.762 175.762 175.340 0.422 19079 478 1 1 . 1 1 91 91 TYR CA C 91 56.672 56.672 56.097 0.575 19079 479 1 1 . 1 1 91 91 TYR CB C 91 41.701 41.701 41.203 0.498 19079 480 1 1 . 1 1 91 91 TYR H H 91 8.086 8.086 8.186 -0.100 19079 481 1 1 . 1 1 92 92 ASN N N 92 113.182 113.182 116.918 -3.736 19079 482 1 1 . 1 1 92 92 ASN HA H 92 4.558 4.558 4.467 0.091 19079 483 1 1 . 1 1 92 92 ASN C C 92 172.369 172.369 174.174 -1.805 19079 484 1 1 . 1 1 92 92 ASN CA C 92 55.522 55.522 54.199 1.323 19079 485 1 1 . 1 1 92 92 ASN CB C 92 37.732 37.732 36.650 1.082 19079 486 1 1 . 1 1 92 92 ASN H H 92 8.529 8.529 8.675 -0.146 19079 487 1 1 . 1 1 93 93 LEU N N 93 117.359 117.359 120.041 -2.682 19079 488 1 1 . 1 1 93 93 LEU HA H 93 5.455 5.455 5.080 0.375 19079 489 1 1 . 1 1 93 93 LEU C C 93 177.709 177.709 175.819 1.890 19079 490 1 1 . 1 1 93 93 LEU CA C 93 54.341 54.341 53.908 0.433 19079 491 1 1 . 1 1 93 93 LEU CB C 93 47.006 47.006 45.186 1.820 19079 492 1 1 . 1 1 93 93 LEU H H 93 7.846 7.846 8.293 -0.447 19079 493 1 1 . 1 1 94 94 LEU N N 94 123.298 123.298 125.399 -2.101 19079 494 1 1 . 1 1 94 94 LEU HA H 94 5.014 5.014 4.780 0.234 19079 495 1 1 . 1 1 94 94 LEU C C 94 175.771 175.771 176.124 -0.353 19079 496 1 1 . 1 1 94 94 LEU CA C 94 53.889 53.889 54.276 -0.387 19079 497 1 1 . 1 1 94 94 LEU CB C 94 44.784 44.784 43.133 1.651 19079 498 1 1 . 1 1 94 94 LEU H H 94 9.155 9.155 8.997 0.158 19079 499 1 1 . 1 1 95 95 ILE N N 95 121.585 121.585 125.262 -3.677 19079 500 1 1 . 1 1 95 95 ILE HA H 95 5.166 5.166 4.702 0.464 19079 501 1 1 . 1 1 95 95 ILE C C 95 175.885 175.885 175.971 -0.086 19079 502 1 1 . 1 1 95 95 ILE CA C 95 59.795 59.795 59.450 0.345 19079 503 1 1 . 1 1 95 95 ILE CB C 95 39.820 39.820 38.020 1.800 19079 504 1 1 . 1 1 95 95 ILE H H 95 8.920 8.920 7.983 0.937 19079 505 1 1 . 1 1 96 96 GLY N N 96 115.891 115.891 115.358 0.533 19079 506 1 1 . 1 1 96 96 GLY C C 96 171.937 171.937 172.323 -0.386 19079 507 1 1 . 1 1 96 96 GLY CA C 96 44.865 44.865 44.233 0.631 19079 508 1 1 . 1 1 96 96 GLY H H 96 9.223 9.223 8.806 0.417 19079 509 1 1 . 1 1 97 97 GLU N N 97 119.340 119.340 122.432 -3.092 19079 510 1 1 . 1 1 97 97 GLU HA H 97 4.831 4.831 4.910 -0.079 19079 511 1 1 . 1 1 97 97 GLU C C 97 175.567 175.567 175.601 -0.034 19079 512 1 1 . 1 1 97 97 GLU CA C 97 55.736 55.736 54.582 1.154 19079 513 1 1 . 1 1 97 97 GLU CB C 97 31.009 31.009 30.921 0.088 19079 514 1 1 . 1 1 97 97 GLU H H 97 8.197 8.197 8.120 0.077 19079 515 1 1 . 1 1 98 98 GLY N N 98 113.912 113.912 112.027 1.885 19079 516 1 1 . 1 1 98 98 GLY CA C 98 45.089 45.089 43.887 1.202 19079 517 1 1 . 1 1 98 98 GLY H H 98 7.767 7.767 7.819 -0.052 19079 518 1 1 . 1 1 99 99 PRO HA H 99 4.347 4.347 4.578 -0.231 19079 519 1 1 . 1 1 99 99 PRO CA C 99 62.396 62.396 62.564 -0.168 19079 520 1 1 . 1 1 99 99 PRO CB C 99 32.558 32.558 33.038 -0.480 19079 521 1 1 . 1 1 100 100 CYS N N 100 122.972 122.972 118.422 4.550 19079 522 1 1 . 1 1 100 100 CYS HA H 100 4.567 4.567 4.791 -0.224 19079 523 1 1 . 1 1 100 100 CYS C C 100 172.077 172.077 173.396 -1.319 19079 524 1 1 . 1 1 100 100 CYS CA C 100 60.097 60.097 57.344 2.753 19079 525 1 1 . 1 1 100 100 CYS CB C 100 28.063 28.063 30.162 -2.099 19079 526 1 1 . 1 1 100 100 CYS H H 100 8.219 8.219 8.364 -0.145 19079 527 1 1 . 1 1 101 101 VAL N N 101 123.973 123.973 118.780 5.193 19079 528 1 1 . 1 1 101 101 VAL HA H 101 4.888 4.888 4.556 0.332 19079 529 1 1 . 1 1 101 101 VAL CA C 101 58.947 58.947 58.818 0.129 19079 530 1 1 . 1 1 101 101 VAL CB C 101 32.322 32.322 34.008 -1.686 19079 531 1 1 . 1 1 101 101 VAL H H 101 8.662 8.662 8.068 0.594 19079 532 1 1 . 1 1 103 103 GLY C C 103 175.333 175.333 175.139 0.194 19079 533 1 1 . 1 1 103 103 GLY CA C 103 45.683 45.683 45.838 -0.155 19079 534 1 1 . 1 1 104 104 ASP N N 104 121.740 121.740 123.506 -1.766 19079 535 1 1 . 1 1 104 104 ASP HA H 104 4.836 4.836 4.467 0.369 19079 536 1 1 . 1 1 104 104 ASP C C 104 176.601 176.601 175.759 0.842 19079 537 1 1 . 1 1 104 104 ASP CA C 104 54.700 54.700 55.753 -1.053 19079 538 1 1 . 1 1 104 104 ASP CB C 104 41.322 41.322 41.165 0.157 19079 539 1 1 . 1 1 104 104 ASP H H 104 8.217 8.217 7.963 0.254 19079 540 1 1 . 1 1 105 105 ALA N N 105 121.750 121.750 120.540 1.210 19079 541 1 1 . 1 1 105 105 ALA HA H 105 3.707 3.707 3.915 -0.208 19079 542 1 1 . 1 1 105 105 ALA C C 105 175.218 175.218 177.618 -2.400 19079 543 1 1 . 1 1 105 105 ALA CA C 105 54.002 54.002 53.481 0.521 19079 544 1 1 . 1 1 105 105 ALA CB C 105 18.021 18.021 18.567 -0.546 19079 545 1 1 . 1 1 105 105 ALA H H 105 7.672 7.672 8.053 -0.381 19079 546 1 1 . 1 1 106 106 GLY N N 106 110.675 110.675 110.957 -0.282 19079 547 1 1 . 1 1 106 106 GLY C C 106 174.112 174.112 174.578 -0.466 19079 548 1 1 . 1 1 106 106 GLY CA C 106 45.354 45.354 44.626 0.728 19079 549 1 1 . 1 1 106 106 GLY H H 106 8.781 8.781 7.952 0.829 19079 550 1 1 . 1 1 107 107 GLY N N 107 104.052 104.052 110.495 -6.443 19079 551 1 1 . 1 1 107 107 GLY C C 107 173.970 173.970 174.379 -0.409 19079 552 1 1 . 1 1 107 107 GLY CA C 107 46.405 46.405 44.940 1.465 19079 553 1 1 . 1 1 107 107 GLY H H 107 7.727 7.727 7.682 0.045 19079 554 1 1 . 1 1 108 108 LYS N N 108 122.212 122.212 125.759 -3.547 19079 555 1 1 . 1 1 108 108 LYS HA H 108 4.442 4.442 4.480 -0.038 19079 556 1 1 . 1 1 108 108 LYS C C 108 175.056 175.056 175.887 -0.831 19079 557 1 1 . 1 1 108 108 LYS CA C 108 58.497 58.497 56.435 2.062 19079 558 1 1 . 1 1 108 108 LYS CB C 108 36.053 36.053 33.467 2.586 19079 559 1 1 . 1 1 108 108 LYS H H 108 8.553 8.553 8.480 0.073 19079 560 1 1 . 1 1 109 109 LEU N N 109 119.300 119.300 127.807 -8.507 19079 561 1 1 . 1 1 109 109 LEU HA H 109 4.881 4.881 5.188 -0.307 19079 562 1 1 . 1 1 109 109 LEU C C 109 175.017 175.017 174.813 0.204 19079 563 1 1 . 1 1 109 109 LEU CA C 109 53.372 53.372 53.899 -0.527 19079 564 1 1 . 1 1 109 109 LEU CB C 109 43.275 43.275 43.338 -0.063 19079 565 1 1 . 1 1 109 109 LEU H H 109 8.065 8.065 9.019 -0.954 19079 566 1 1 . 1 1 110 110 LEU N N 110 126.757 126.757 128.141 -1.384 19079 567 1 1 . 1 1 110 110 LEU HA H 110 5.498 5.498 4.746 0.752 19079 568 1 1 . 1 1 110 110 LEU C C 110 176.125 176.125 175.770 0.355 19079 569 1 1 . 1 1 110 110 LEU CA C 110 55.318 55.318 54.621 0.697 19079 570 1 1 . 1 1 110 110 LEU CB C 110 44.799 44.799 43.745 1.054 19079 571 1 1 . 1 1 110 110 LEU H H 110 9.450 9.450 9.095 0.355 19079 572 1 1 . 1 1 111 111 CYS N N 111 118.897 118.897 121.234 -2.337 19079 573 1 1 . 1 1 111 111 CYS HA H 111 5.254 5.254 4.826 0.428 19079 574 1 1 . 1 1 111 111 CYS C C 111 177.063 177.063 175.852 1.211 19079 575 1 1 . 1 1 111 111 CYS CA C 111 57.201 57.201 56.370 0.831 19079 576 1 1 . 1 1 111 111 CYS CB C 111 32.532 32.532 30.909 1.623 19079 577 1 1 . 1 1 111 111 CYS H H 111 8.575 8.575 8.687 -0.112 19079 578 1 1 . 1 1 112 112 ARG N N 112 116.382 116.382 120.086 -3.704 19079 579 1 1 . 1 1 112 112 ARG HA H 112 3.918 3.918 3.896 0.022 19079 580 1 1 . 1 1 112 112 ARG C C 112 176.892 176.892 177.466 -0.574 19079 581 1 1 . 1 1 112 112 ARG CA C 112 59.714 59.714 58.648 1.066 19079 582 1 1 . 1 1 112 112 ARG CB C 112 29.874 29.874 29.351 0.523 19079 583 1 1 . 1 1 112 112 ARG H H 112 8.350 8.350 8.617 -0.267 19079 584 1 1 . 1 1 113 113 HIS N N 113 121.579 121.579 114.074 7.505 19079 585 1 1 . 1 1 113 113 HIS HA H 113 4.480 4.480 4.718 -0.238 19079 586 1 1 . 1 1 113 113 HIS C C 113 175.439 175.439 175.689 -0.250 19079 587 1 1 . 1 1 113 113 HIS CA C 113 58.739 58.739 56.320 2.419 19079 588 1 1 . 1 1 113 113 HIS CB C 113 31.050 31.050 30.872 0.178 19079 589 1 1 . 1 1 113 113 HIS H H 113 10.445 10.445 7.166 3.279 19079 590 1 1 . 1 1 114 114 GLY N N 114 108.273 108.273 105.710 2.563 19079 591 1 1 . 1 1 114 114 GLY C C 114 169.307 169.307 172.826 -3.519 19079 592 1 1 . 1 1 114 114 GLY CA C 114 45.413 45.413 44.944 0.469 19079 593 1 1 . 1 1 114 114 GLY H H 114 7.689 7.689 7.419 0.270 19079 594 1 1 . 1 1 115 115 VAL N N 115 120.998 120.998 122.011 -1.013 19079 595 1 1 . 1 1 115 115 VAL HA H 115 4.476 4.476 4.048 0.428 19079 596 1 1 . 1 1 115 115 VAL C C 115 173.881 173.881 176.443 -2.562 19079 597 1 1 . 1 1 115 115 VAL CA C 115 62.513 62.513 64.516 -2.002 19079 598 1 1 . 1 1 115 115 VAL CB C 115 32.113 32.113 32.026 0.087 19079 599 1 1 . 1 1 115 115 VAL H H 115 8.455 8.455 8.474 -0.019 19079 600 1 1 . 1 1 116 116 ILE N N 116 114.566 114.566 120.003 -5.437 19079 601 1 1 . 1 1 116 116 ILE HA H 116 4.603 4.603 4.567 0.036 19079 602 1 1 . 1 1 116 116 ILE C C 116 175.445 175.445 174.868 0.577 19079 603 1 1 . 1 1 116 116 ILE CA C 116 61.470 61.470 60.392 1.078 19079 604 1 1 . 1 1 116 116 ILE CB C 116 40.782 40.782 38.694 2.088 19079 605 1 1 . 1 1 116 116 ILE H H 116 8.460 8.460 9.043 -0.583 19079 606 1 1 . 1 1 117 117 GLY N N 117 106.195 106.195 107.422 -1.227 19079 607 1 1 . 1 1 117 117 GLY C C 117 171.664 171.664 172.037 -0.373 19079 608 1 1 . 1 1 117 117 GLY CA C 117 46.303 46.303 45.757 0.546 19079 609 1 1 . 1 1 117 117 GLY H H 117 7.827 7.827 7.515 0.312 19079 610 1 1 . 1 1 118 118 ILE N N 118 109.501 109.501 116.072 -6.571 19079 611 1 1 . 1 1 118 118 ILE HA H 118 5.611 5.611 5.517 0.094 19079 612 1 1 . 1 1 118 118 ILE C C 118 176.642 176.642 175.327 1.315 19079 613 1 1 . 1 1 118 118 ILE CA C 118 58.787 58.787 57.966 0.821 19079 614 1 1 . 1 1 118 118 ILE CB C 118 43.351 43.351 41.752 1.599 19079 615 1 1 . 1 1 118 118 ILE H H 118 7.571 7.571 7.970 -0.399 19079 616 1 1 . 1 1 119 119 ILE N N 119 124.258 124.258 120.240 4.018 19079 617 1 1 . 1 1 119 119 ILE HA H 119 3.774 3.774 3.549 0.225 19079 618 1 1 . 1 1 119 119 ILE C C 119 177.447 177.447 176.531 0.916 19079 619 1 1 . 1 1 119 119 ILE CA C 119 64.399 64.399 61.754 2.645 19079 620 1 1 . 1 1 119 119 ILE CB C 119 39.393 39.393 36.211 3.182 19079 621 1 1 . 1 1 119 119 ILE H H 119 9.465 9.465 8.105 1.360 19079 622 1 1 . 1 1 120 120 THR N N 120 122.153 122.153 123.524 -1.371 19079 623 1 1 . 1 1 120 120 THR HA H 120 4.670 4.670 4.211 0.459 19079 624 1 1 . 1 1 120 120 THR C C 120 171.416 171.416 173.554 -2.138 19079 625 1 1 . 1 1 120 120 THR CA C 120 61.440 61.440 61.278 0.162 19079 626 1 1 . 1 1 120 120 THR CB C 120 70.455 70.455 69.610 0.845 19079 627 1 1 . 1 1 120 120 THR H H 120 9.400 9.400 8.001 1.399 19079 628 1 1 . 1 1 121 121 ALA N N 121 124.014 124.014 122.917 1.097 19079 629 1 1 . 1 1 121 121 ALA HA H 121 4.583 4.583 4.484 0.099 19079 630 1 1 . 1 1 121 121 ALA C C 121 173.695 173.695 175.246 -1.551 19079 631 1 1 . 1 1 121 121 ALA CA C 121 51.833 51.833 51.067 0.766 19079 632 1 1 . 1 1 121 121 ALA CB C 121 22.523 22.523 21.729 0.794 19079 633 1 1 . 1 1 121 121 ALA H H 121 7.885 7.885 7.162 0.723 19079 634 1 1 . 1 1 122 122 GLY N N 122 103.252 103.252 106.667 -3.415 19079 635 1 1 . 1 1 122 122 GLY C C 122 172.124 172.124 172.868 -0.744 19079 636 1 1 . 1 1 122 122 GLY CA C 122 45.917 45.917 45.027 0.890 19079 637 1 1 . 1 1 122 122 GLY H H 122 7.828 7.828 8.157 -0.329 19079 638 1 1 . 1 1 123 123 GLY N N 123 107.688 107.688 108.060 -0.372 19079 639 1 1 . 1 1 123 123 GLY C C 123 174.470 174.470 172.577 1.893 19079 640 1 1 . 1 1 123 123 GLY CA C 123 45.051 45.051 45.141 -0.090 19079 641 1 1 . 1 1 123 123 GLY H H 123 8.285 8.285 8.861 -0.576 19079 642 1 1 . 1 1 124 124 ASP N N 124 120.288 120.288 121.944 -1.656 19079 643 1 1 . 1 1 124 124 ASP HA H 124 4.621 4.621 4.620 0.001 19079 644 1 1 . 1 1 124 124 ASP C C 124 176.061 176.061 177.150 -1.089 19079 645 1 1 . 1 1 124 124 ASP CA C 124 55.465 55.465 55.463 0.002 19079 646 1 1 . 1 1 124 124 ASP CB C 124 40.111 40.111 40.676 -0.565 19079 647 1 1 . 1 1 124 124 ASP H H 124 9.054 9.054 8.598 0.456 19079 648 1 1 . 1 1 125 125 GLY N N 125 105.482 105.482 112.715 -7.233 19079 649 1 1 . 1 1 125 125 GLY C C 125 174.566 174.566 173.280 1.286 19079 650 1 1 . 1 1 125 125 GLY CA C 125 45.493 45.493 46.064 -0.571 19079 651 1 1 . 1 1 125 125 GLY H H 125 8.567 8.567 8.873 -0.306 19079 652 1 1 . 1 1 126 126 HIS N N 126 117.677 117.677 117.417 0.260 19079 653 1 1 . 1 1 126 126 HIS HA H 126 5.449 5.449 5.552 -0.103 19079 654 1 1 . 1 1 126 126 HIS C C 126 172.058 172.058 173.239 -1.181 19079 655 1 1 . 1 1 126 126 HIS CA C 126 54.653 54.653 55.178 -0.525 19079 656 1 1 . 1 1 126 126 HIS CB C 126 31.709 31.709 33.783 -2.074 19079 657 1 1 . 1 1 126 126 HIS H H 126 7.852 7.852 7.333 0.519 19079 658 1 1 . 1 1 127 127 VAL N N 127 121.145 121.145 123.358 -2.213 19079 659 1 1 . 1 1 127 127 VAL HA H 127 4.230 4.230 4.393 -0.163 19079 660 1 1 . 1 1 127 127 VAL C C 127 170.317 170.317 173.563 -3.246 19079 661 1 1 . 1 1 127 127 VAL CA C 127 60.125 60.125 60.414 -0.289 19079 662 1 1 . 1 1 127 127 VAL CB C 127 34.681 34.681 35.214 -0.533 19079 663 1 1 . 1 1 127 127 VAL H H 127 8.857 8.857 7.987 0.870 19079 664 1 1 . 1 1 128 128 ALA N N 128 127.867 127.867 131.590 -3.723 19079 665 1 1 . 1 1 128 128 ALA HA H 128 5.222 5.222 4.907 0.315 19079 666 1 1 . 1 1 128 128 ALA C C 128 175.506 175.506 175.531 -0.025 19079 667 1 1 . 1 1 128 128 ALA CA C 128 49.199 49.199 50.693 -1.494 19079 668 1 1 . 1 1 128 128 ALA CB C 128 21.731 21.731 21.085 0.646 19079 669 1 1 . 1 1 128 128 ALA H H 128 8.400 8.400 8.154 0.246 19079 670 1 1 . 1 1 129 129 PHE N N 129 121.202 121.202 117.905 3.297 19079 671 1 1 . 1 1 129 129 PHE HA H 129 5.301 5.301 5.153 0.148 19079 672 1 1 . 1 1 129 129 PHE C C 129 176.082 176.082 175.640 0.442 19079 673 1 1 . 1 1 129 129 PHE CA C 129 54.759 54.759 56.389 -1.630 19079 674 1 1 . 1 1 129 129 PHE CB C 129 41.372 41.372 43.283 -1.911 19079 675 1 1 . 1 1 129 129 PHE H H 129 9.689 9.689 8.288 1.401 19079 676 1 1 . 1 1 130 130 THR N N 130 121.809 121.809 121.224 0.585 19079 677 1 1 . 1 1 130 130 THR HA H 130 4.573 4.573 4.574 -0.001 19079 678 1 1 . 1 1 130 130 THR C C 130 173.050 173.050 173.873 -0.823 19079 679 1 1 . 1 1 130 130 THR CA C 130 63.487 63.487 61.546 1.941 19079 680 1 1 . 1 1 130 130 THR CB C 130 70.852 70.852 68.849 2.003 19079 681 1 1 . 1 1 130 130 THR H H 130 8.848 8.848 8.916 -0.068 19079 682 1 1 . 1 1 131 131 ASP N N 131 128.382 128.382 129.995 -1.613 19079 683 1 1 . 1 1 131 131 ASP HA H 131 4.915 4.915 4.797 0.118 19079 684 1 1 . 1 1 131 131 ASP C C 131 175.616 175.616 176.981 -1.365 19079 685 1 1 . 1 1 131 131 ASP CA C 131 52.924 52.924 54.858 -1.934 19079 686 1 1 . 1 1 131 131 ASP CB C 131 41.513 41.513 41.068 0.445 19079 687 1 1 . 1 1 131 131 ASP H H 131 8.722 8.722 8.349 0.373 19079 688 1 1 . 1 1 132 132 LEU N N 132 123.250 123.250 126.245 -2.995 19079 689 1 1 . 1 1 132 132 LEU HA H 132 4.325 4.325 4.183 0.142 19079 690 1 1 . 1 1 132 132 LEU C C 132 179.704 179.704 178.392 1.312 19079 691 1 1 . 1 1 132 132 LEU CA C 132 55.286 55.286 56.551 -1.265 19079 692 1 1 . 1 1 132 132 LEU CB C 132 42.640 42.640 41.698 0.942 19079 693 1 1 . 1 1 132 132 LEU H H 132 8.788 8.788 8.107 0.681 19079 694 1 1 . 1 1 133 133 ARG N N 133 119.561 119.561 121.552 -1.991 19079 695 1 1 . 1 1 133 133 ARG HA H 133 3.977 3.977 4.180 -0.203 19079 696 1 1 . 1 1 133 133 ARG C C 133 177.476 177.476 175.042 2.434 19079 697 1 1 . 1 1 133 133 ARG CA C 133 61.799 61.799 60.256 1.543 19079 698 1 1 . 1 1 133 133 ARG CB C 133 27.601 27.601 28.525 -0.924 19079 699 1 1 . 1 1 133 133 ARG H H 133 8.961 8.961 7.694 1.267 19079 700 1 1 . 1 1 134 134 PRO HA H 134 4.284 4.284 4.427 -0.143 19079 701 1 1 . 1 1 134 134 PRO C C 134 175.695 175.695 175.542 0.153 19079 702 1 1 . 1 1 134 134 PRO CA C 134 64.508 64.508 63.571 0.937 19079 703 1 1 . 1 1 134 134 PRO CB C 134 31.008 31.008 29.743 1.265 19079 704 1 1 . 1 1 135 135 TYR N N 135 114.745 114.745 120.695 -5.950 19079 705 1 1 . 1 1 135 135 TYR HA H 135 4.420 4.420 4.461 -0.041 19079 706 1 1 . 1 1 135 135 TYR C C 135 175.146 175.146 174.907 0.239 19079 707 1 1 . 1 1 135 135 TYR CA C 135 57.322 57.322 59.443 -2.121 19079 708 1 1 . 1 1 135 135 TYR CB C 135 39.549 39.549 39.387 0.162 19079 709 1 1 . 1 1 135 135 TYR H H 135 7.419 7.419 8.507 -1.088 19079 710 1 1 . 1 1 136 136 ASN N N 136 119.088 119.088 117.845 1.243 19079 711 1 1 . 1 1 136 136 ASN HA H 136 4.622 4.622 4.675 -0.053 19079 712 1 1 . 1 1 136 136 ASN C C 136 175.650 175.650 176.508 -0.858 19079 713 1 1 . 1 1 136 136 ASN CA C 136 53.601 53.601 53.314 0.287 19079 714 1 1 . 1 1 136 136 ASN CB C 136 38.741 38.741 39.654 -0.913 19079 715 1 1 . 1 1 136 136 ASN H H 136 7.245 7.245 7.795 -0.550 19079 716 1 1 . 1 1 137 137 ILE N N 137 126.031 126.031 120.725 5.306 19079 717 1 1 . 1 1 137 137 ILE HA H 137 4.135 4.135 4.197 -0.062 19079 718 1 1 . 1 1 137 137 ILE C C 137 175.636 175.636 176.207 -0.571 19079 719 1 1 . 1 1 137 137 ILE CA C 137 61.215 61.215 60.585 0.630 19079 720 1 1 . 1 1 137 137 ILE CB C 137 38.380 38.380 34.781 3.599 19079 721 1 1 . 1 1 137 137 ILE H H 137 7.849 7.849 8.756 -0.907 19079 722 1 1 . 1 1 138 138 LYS N N 138 125.271 125.271 125.685 -0.414 19079 723 1 1 . 1 1 138 138 LYS HA H 138 4.368 4.368 4.348 0.020 19079 724 1 1 . 1 1 138 138 LYS C C 138 176.110 176.110 176.806 -0.696 19079 725 1 1 . 1 1 138 138 LYS CA C 138 55.906 55.906 57.296 -1.390 19079 726 1 1 . 1 1 138 138 LYS CB C 138 33.564 33.564 33.227 0.337 19079 727 1 1 . 1 1 138 138 LYS H H 138 8.171 8.171 8.399 -0.228 19079 728 1 1 . 1 1 139 139 ALA N N 139 124.226 124.226 120.633 3.593 19079 729 1 1 . 1 1 139 139 ALA HA H 139 4.384 4.384 4.331 0.053 19079 730 1 1 . 1 1 139 139 ALA C C 139 177.788 177.788 176.367 1.421 19079 731 1 1 . 1 1 139 139 ALA CA C 139 52.522 52.522 52.840 -0.319 19079 732 1 1 . 1 1 139 139 ALA CB C 139 19.531 19.531 19.273 0.258 19079 733 1 1 . 1 1 139 139 ALA H H 139 8.207 8.207 8.108 0.099 19079 734 1 1 . 1 1 140 140 THR N N 140 112.869 112.869 114.232 -1.363 19079 735 1 1 . 1 1 140 140 THR HA H 140 4.390 4.390 4.047 0.343 19079 736 1 1 . 1 1 140 140 THR C C 140 174.522 174.522 174.639 -0.117 19079 737 1 1 . 1 1 140 140 THR CA C 140 61.685 61.685 62.433 -0.748 19079 738 1 1 . 1 1 140 140 THR CB C 140 69.961 69.961 68.688 1.273 19079 739 1 1 . 1 1 140 140 THR H H 140 8.094 8.094 7.871 0.223 19079 740 1 1 . 1 1 141 141 SER N N 141 118.138 118.138 115.610 2.528 19079 741 1 1 . 1 1 141 141 SER HA H 141 4.500 4.500 4.169 0.331 19079 742 1 1 . 1 1 141 141 SER C C 141 173.503 173.503 173.662 -0.159 19079 743 1 1 . 1 1 141 141 SER CA C 141 58.315 58.315 59.369 -1.054 19079 744 1 1 . 1 1 141 141 SER CB C 141 64.039 64.039 63.324 0.715 19079 745 1 1 . 1 1 141 141 SER H H 141 8.209 8.209 8.897 -0.688 19079 746 1 2 . 1 1 2 2 PRO HA H 2 4.360 4.360 4.778 -0.418 19079 747 1 2 . 1 1 2 2 PRO C C 2 178.185 178.185 176.100 2.085 19079 748 1 2 . 1 1 2 2 PRO CA C 2 65.722 65.722 62.420 3.302 19079 749 1 2 . 1 1 2 2 PRO CB C 2 33.078 33.078 33.335 -0.257 19079 750 1 2 . 1 1 3 3 SER N N 3 112.403 112.403 113.440 -1.037 19079 751 1 2 . 1 1 3 3 SER HA H 3 3.136 3.136 4.660 -1.524 19079 752 1 2 . 1 1 3 3 SER C C 3 172.101 172.101 173.582 -1.481 19079 753 1 2 . 1 1 3 3 SER CA C 3 57.421 57.421 58.395 -0.974 19079 754 1 2 . 1 1 3 3 SER CB C 3 62.812 62.812 63.219 -0.407 19079 755 1 2 . 1 1 3 3 SER H H 3 8.494 8.494 8.249 0.245 19079 756 1 2 . 1 1 4 4 ASP N N 4 119.024 119.024 121.256 -2.232 19079 757 1 2 . 1 1 4 4 ASP HA H 4 4.438 4.438 4.860 -0.422 19079 758 1 2 . 1 1 4 4 ASP C C 4 177.371 177.371 174.589 2.782 19079 759 1 2 . 1 1 4 4 ASP CA C 4 54.800 54.800 53.361 1.439 19079 760 1 2 . 1 1 4 4 ASP CB C 4 41.495 41.495 41.119 0.376 19079 761 1 2 . 1 1 4 4 ASP H H 4 6.841 6.841 8.106 -1.265 19079 762 1 2 . 1 1 5 5 LEU N N 5 129.426 129.426 115.108 14.318 19079 763 1 2 . 1 1 5 5 LEU HA H 5 4.526 4.526 4.731 -0.205 19079 764 1 2 . 1 1 5 5 LEU C C 5 176.246 176.246 174.866 1.380 19079 765 1 2 . 1 1 5 5 LEU CA C 5 54.010 54.010 55.322 -1.312 19079 766 1 2 . 1 1 5 5 LEU CB C 5 40.690 40.690 43.584 -2.894 19079 767 1 2 . 1 1 5 5 LEU H H 5 8.781 8.781 7.522 1.259 19079 768 1 2 . 1 1 6 6 PHE HA H 6 4.842 4.842 4.847 -0.005 19079 769 1 2 . 1 1 6 6 PHE C C 6 174.584 174.584 175.350 -0.766 19079 770 1 2 . 1 1 6 6 PHE CA C 6 56.782 56.782 58.306 -1.524 19079 771 1 2 . 1 1 6 6 PHE CB C 6 39.576 39.576 41.587 -2.011 19079 772 1 2 . 1 1 7 7 VAL N N 7 118.923 118.923 115.951 2.972 19079 773 1 2 . 1 1 7 7 VAL HA H 7 4.528 4.528 4.094 0.434 19079 774 1 2 . 1 1 7 7 VAL C C 7 173.989 173.989 173.462 0.527 19079 775 1 2 . 1 1 7 7 VAL CA C 7 61.571 61.571 61.925 -0.354 19079 776 1 2 . 1 1 7 7 VAL CB C 7 34.826 34.826 34.448 0.378 19079 777 1 2 . 1 1 7 7 VAL H H 7 8.586 8.586 7.839 0.747 19079 778 1 2 . 1 1 8 8 HIS N N 8 132.990 132.990 124.991 7.999 19079 779 1 2 . 1 1 8 8 HIS HA H 8 5.997 5.997 5.424 0.573 19079 780 1 2 . 1 1 8 8 HIS C C 8 174.184 174.184 175.440 -1.256 19079 781 1 2 . 1 1 8 8 HIS CA C 8 53.113 53.113 53.921 -0.808 19079 782 1 2 . 1 1 8 8 HIS CB C 8 33.889 33.889 31.613 2.276 19079 783 1 2 . 1 1 8 8 HIS H H 8 10.809 10.809 8.599 2.210 19079 784 1 2 . 1 1 9 9 THR N N 9 118.112 118.112 117.757 0.355 19079 785 1 2 . 1 1 9 9 THR HA H 9 5.343 5.343 4.771 0.572 19079 786 1 2 . 1 1 9 9 THR C C 9 175.788 175.788 174.715 1.073 19079 787 1 2 . 1 1 9 9 THR CA C 9 59.768 59.768 61.148 -1.380 19079 788 1 2 . 1 1 9 9 THR CB C 9 70.673 70.673 70.051 0.622 19079 789 1 2 . 1 1 9 9 THR H H 9 9.512 9.512 9.009 0.503 19079 790 1 2 . 1 1 10 10 GLU N N 10 117.927 117.927 126.115 -8.188 19079 791 1 2 . 1 1 10 10 GLU HA H 10 4.096 4.096 3.795 0.301 19079 792 1 2 . 1 1 10 10 GLU C C 10 176.321 176.321 176.300 0.021 19079 793 1 2 . 1 1 10 10 GLU CA C 10 59.900 59.900 59.506 0.394 19079 794 1 2 . 1 1 10 10 GLU CB C 10 29.983 29.983 27.603 2.380 19079 795 1 2 . 1 1 10 10 GLU H H 10 8.812 8.812 9.329 -0.517 19079 796 1 2 . 1 1 11 11 GLN N N 11 110.877 110.877 119.789 -8.912 19079 797 1 2 . 1 1 11 11 GLN HA H 11 4.621 4.621 4.880 -0.259 19079 798 1 2 . 1 1 11 11 GLN C C 11 175.391 175.391 173.905 1.486 19079 799 1 2 . 1 1 11 11 GLN CA C 11 56.071 56.071 55.246 0.825 19079 800 1 2 . 1 1 11 11 GLN CB C 11 31.963 31.963 31.440 0.523 19079 801 1 2 . 1 1 11 11 GLN H H 11 7.797 7.797 8.304 -0.507 19079 802 1 2 . 1 1 12 12 ALA N N 12 122.143 122.143 123.047 -0.904 19079 803 1 2 . 1 1 12 12 ALA HA H 12 5.049 5.049 5.465 -0.416 19079 804 1 2 . 1 1 12 12 ALA C C 12 174.293 174.293 175.832 -1.539 19079 805 1 2 . 1 1 12 12 ALA CA C 12 51.943 51.943 49.982 1.961 19079 806 1 2 . 1 1 12 12 ALA CB C 12 23.177 23.177 21.521 1.656 19079 807 1 2 . 1 1 12 12 ALA H H 12 7.814 7.814 8.259 -0.445 19079 808 1 2 . 1 1 13 13 ILE N N 13 119.589 119.589 126.677 -7.088 19079 809 1 2 . 1 1 13 13 ILE HA H 13 5.399 5.399 5.014 0.385 19079 810 1 2 . 1 1 13 13 ILE C C 13 174.295 174.295 175.539 -1.244 19079 811 1 2 . 1 1 13 13 ILE CA C 13 60.102 60.102 59.965 0.138 19079 812 1 2 . 1 1 13 13 ILE CB C 13 41.080 41.080 38.191 2.889 19079 813 1 2 . 1 1 13 13 ILE H H 13 9.206 9.206 8.109 1.097 19079 814 1 2 . 1 1 14 14 TYR N N 14 127.337 127.337 129.422 -2.085 19079 815 1 2 . 1 1 14 14 TYR HA H 14 4.853 4.853 4.934 -0.081 19079 816 1 2 . 1 1 14 14 TYR C C 14 172.793 172.793 175.471 -2.678 19079 817 1 2 . 1 1 14 14 TYR CA C 14 56.784 56.784 57.942 -1.158 19079 818 1 2 . 1 1 14 14 TYR CB C 14 39.797 39.797 39.015 0.782 19079 819 1 2 . 1 1 14 14 TYR H H 14 9.794 9.794 9.297 0.497 19079 820 1 2 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.191 0.181 19079 821 1 2 . 1 1 15 15 LYS CA C 15 55.924 55.924 55.413 0.511 19079 822 1 2 . 1 1 15 15 LYS CB C 15 33.563 33.563 37.038 -3.474 19079 823 1 2 . 1 1 15 15 LYS H H 15 7.550 7.550 8.170 -0.620 19079 824 1 2 . 1 1 16 16 ASN N N 16 107.943 107.943 119.724 -11.781 19079 825 1 2 . 1 1 16 16 ASN HA H 16 5.098 5.098 4.712 0.386 19079 826 1 2 . 1 1 16 16 ASN C C 16 176.475 176.475 176.655 -0.180 19079 827 1 2 . 1 1 16 16 ASN CA C 16 54.072 54.072 53.323 0.749 19079 828 1 2 . 1 1 16 16 ASN CB C 16 38.619 38.619 38.067 0.552 19079 829 1 2 . 1 1 16 16 ASN H H 16 8.156 8.156 8.164 -0.008 19079 830 1 2 . 1 1 17 17 ALA N N 17 127.319 127.319 128.490 -1.171 19079 831 1 2 . 1 1 17 17 ALA HA H 17 3.608 3.608 4.176 -0.568 19079 832 1 2 . 1 1 17 17 ALA C C 17 180.081 180.081 178.463 1.618 19079 833 1 2 . 1 1 17 17 ALA CA C 17 54.282 54.282 54.372 -0.090 19079 834 1 2 . 1 1 17 17 ALA CB C 17 17.646 17.646 18.897 -1.251 19079 835 1 2 . 1 1 17 17 ALA H H 17 7.573 7.573 8.122 -0.549 19079 836 1 2 . 1 1 18 18 HIS N N 18 108.625 108.625 113.526 -4.901 19079 837 1 2 . 1 1 18 18 HIS HA H 18 4.504 4.504 4.279 0.225 19079 838 1 2 . 1 1 18 18 HIS C C 18 174.182 174.182 175.532 -1.350 19079 839 1 2 . 1 1 18 18 HIS CA C 18 57.782 57.782 57.706 0.076 19079 840 1 2 . 1 1 18 18 HIS CB C 18 26.798 26.798 29.670 -2.872 19079 841 1 2 . 1 1 18 18 HIS H H 18 8.118 8.118 7.826 0.292 19079 842 1 2 . 1 1 19 19 LEU N N 19 117.682 117.682 119.437 -1.755 19079 843 1 2 . 1 1 19 19 LEU HA H 19 4.444 4.444 4.452 -0.008 19079 844 1 2 . 1 1 19 19 LEU C C 19 175.795 175.795 176.638 -0.843 19079 845 1 2 . 1 1 19 19 LEU CA C 19 53.309 53.309 54.354 -1.045 19079 846 1 2 . 1 1 19 19 LEU CB C 19 42.366 42.366 42.724 -0.358 19079 847 1 2 . 1 1 19 19 LEU H H 19 6.677 6.677 7.123 -0.446 19079 848 1 2 . 1 1 20 20 THR N N 20 116.187 116.187 109.657 6.530 19079 849 1 2 . 1 1 20 20 THR HA H 20 4.700 4.700 4.383 0.317 19079 850 1 2 . 1 1 20 20 THR C C 20 171.105 171.105 174.274 -3.169 19079 851 1 2 . 1 1 20 20 THR CA C 20 58.570 58.570 61.811 -3.241 19079 852 1 2 . 1 1 20 20 THR CB C 20 69.724 69.724 70.354 -0.630 19079 853 1 2 . 1 1 20 20 THR H H 20 7.399 7.399 7.189 0.210 19079 854 1 2 . 1 1 21 21 THR N N 21 114.194 114.194 120.133 -5.939 19079 855 1 2 . 1 1 21 21 THR HA H 21 5.124 5.124 3.943 1.181 19079 856 1 2 . 1 1 21 21 THR CA C 21 58.991 58.991 61.742 -2.751 19079 857 1 2 . 1 1 21 21 THR CB C 21 71.564 71.564 68.834 2.731 19079 858 1 2 . 1 1 21 21 THR H H 21 8.410 8.410 7.603 0.807 19079 859 1 2 . 1 1 22 22 PRO HA H 22 4.432 4.432 4.493 -0.061 19079 860 1 2 . 1 1 22 22 PRO C C 22 175.895 175.895 176.850 -0.955 19079 861 1 2 . 1 1 22 22 PRO CA C 22 63.390 63.390 62.739 0.651 19079 862 1 2 . 1 1 22 22 PRO CB C 22 32.203 32.203 32.084 0.119 19079 863 1 2 . 1 1 23 23 ASN N N 23 119.233 119.233 117.208 2.025 19079 864 1 2 . 1 1 23 23 ASN HA H 23 5.032 5.032 4.474 0.558 19079 865 1 2 . 1 1 23 23 ASN C C 23 175.963 175.963 175.486 0.477 19079 866 1 2 . 1 1 23 23 ASN CA C 23 52.452 52.452 53.724 -1.272 19079 867 1 2 . 1 1 23 23 ASN CB C 23 41.420 41.420 38.611 2.809 19079 868 1 2 . 1 1 23 23 ASN H H 23 9.227 9.227 8.349 0.878 19079 869 1 2 . 1 1 24 24 ASP N N 24 119.074 119.074 118.857 0.217 19079 870 1 2 . 1 1 24 24 ASP HA H 24 4.417 4.417 4.642 -0.225 19079 871 1 2 . 1 1 24 24 ASP C C 24 176.983 176.983 175.893 1.090 19079 872 1 2 . 1 1 24 24 ASP CA C 24 56.942 56.942 54.079 2.863 19079 873 1 2 . 1 1 24 24 ASP CB C 24 40.266 40.266 39.788 0.478 19079 874 1 2 . 1 1 24 24 ASP H H 24 8.649 8.649 8.616 0.033 19079 875 1 2 . 1 1 25 25 GLN N N 25 116.580 116.580 117.975 -1.395 19079 876 1 2 . 1 1 25 25 GLN HA H 25 4.425 4.425 4.493 -0.068 19079 877 1 2 . 1 1 25 25 GLN C C 25 177.373 177.373 176.637 0.736 19079 878 1 2 . 1 1 25 25 GLN CA C 25 55.419 55.419 55.557 -0.138 19079 879 1 2 . 1 1 25 25 GLN CB C 25 28.933 28.933 30.249 -1.316 19079 880 1 2 . 1 1 25 25 GLN H H 25 9.028 9.028 7.557 1.471 19079 881 1 2 . 1 1 26 26 THR N N 26 122.196 122.196 111.108 11.088 19079 882 1 2 . 1 1 26 26 THR HA H 26 4.779 4.779 4.340 0.439 19079 883 1 2 . 1 1 26 26 THR C C 26 174.583 174.583 174.344 0.239 19079 884 1 2 . 1 1 26 26 THR CA C 26 65.218 65.218 62.865 2.353 19079 885 1 2 . 1 1 26 26 THR CB C 26 68.963 68.963 69.967 -1.004 19079 886 1 2 . 1 1 26 26 THR H H 26 7.692 7.692 7.383 0.309 19079 887 1 2 . 1 1 27 27 ILE N N 27 129.367 129.367 118.582 10.785 19079 888 1 2 . 1 1 27 27 ILE HA H 27 4.112 4.112 4.293 -0.181 19079 889 1 2 . 1 1 27 27 ILE C C 27 175.734 175.734 174.949 0.785 19079 890 1 2 . 1 1 27 27 ILE CA C 27 62.558 62.558 61.697 0.861 19079 891 1 2 . 1 1 27 27 ILE CB C 27 40.357 40.357 39.631 0.726 19079 892 1 2 . 1 1 27 27 ILE H H 27 9.785 9.785 8.039 1.746 19079 893 1 2 . 1 1 28 28 LEU N N 28 120.773 120.773 121.090 -0.317 19079 894 1 2 . 1 1 28 28 LEU HA H 28 4.506 4.506 4.712 -0.206 19079 895 1 2 . 1 1 28 28 LEU C C 28 173.083 173.083 174.514 -1.431 19079 896 1 2 . 1 1 28 28 LEU CA C 28 55.337 55.337 54.092 1.245 19079 897 1 2 . 1 1 28 28 LEU CB C 28 45.942 45.942 44.850 1.092 19079 898 1 2 . 1 1 28 28 LEU H H 28 7.814 7.814 7.683 0.131 19079 899 1 2 . 1 1 29 29 LEU N N 29 128.285 128.285 122.016 6.269 19079 900 1 2 . 1 1 29 29 LEU HA H 29 4.798 4.798 5.257 -0.459 19079 901 1 2 . 1 1 29 29 LEU C C 29 174.589 174.589 175.119 -0.530 19079 902 1 2 . 1 1 29 29 LEU CA C 29 54.133 54.133 54.031 0.102 19079 903 1 2 . 1 1 29 29 LEU CB C 29 43.909 43.909 45.785 -1.876 19079 904 1 2 . 1 1 29 29 LEU H H 29 8.653 8.653 8.156 0.497 19079 905 1 2 . 1 1 30 30 ALA N N 30 132.532 132.532 125.147 7.385 19079 906 1 2 . 1 1 30 30 ALA HA H 30 4.995 4.995 4.906 0.089 19079 907 1 2 . 1 1 30 30 ALA C C 30 177.994 177.994 177.171 0.823 19079 908 1 2 . 1 1 30 30 ALA CA C 30 49.621 49.621 50.593 -0.972 19079 909 1 2 . 1 1 30 30 ALA CB C 30 18.022 18.022 20.712 -2.690 19079 910 1 2 . 1 1 30 30 ALA H H 30 9.179 9.179 8.589 0.590 19079 911 1 2 . 1 1 31 31 LEU N N 31 126.651 126.651 122.890 3.761 19079 912 1 2 . 1 1 31 31 LEU HA H 31 4.619 4.619 4.286 0.333 19079 913 1 2 . 1 1 31 31 LEU CA C 31 59.032 59.032 56.554 2.478 19079 914 1 2 . 1 1 31 31 LEU CB C 31 41.356 41.356 40.663 0.693 19079 915 1 2 . 1 1 31 31 LEU H H 31 8.828 8.828 8.922 -0.094 19079 916 1 2 . 1 1 32 32 THR HA H 32 4.283 4.283 4.152 0.131 19079 917 1 2 . 1 1 32 32 THR C C 32 173.341 173.341 175.806 -2.465 19079 918 1 2 . 1 1 32 32 THR CA C 32 63.443 63.443 64.437 -0.994 19079 919 1 2 . 1 1 32 32 THR CB C 32 68.639 68.639 68.828 -0.189 19079 920 1 2 . 1 1 32 32 THR H H 32 8.105 8.105 7.862 0.243 19079 921 1 2 . 1 1 33 33 ALA N N 33 122.960 122.960 121.059 1.901 19079 922 1 2 . 1 1 33 33 ALA HA H 33 5.301 5.301 4.615 0.685 19079 923 1 2 . 1 1 33 33 ALA C C 33 175.467 175.467 176.747 -1.280 19079 924 1 2 . 1 1 33 33 ALA CA C 33 50.782 50.782 51.475 -0.693 19079 925 1 2 . 1 1 33 33 ALA CB C 33 20.256 20.256 19.642 0.614 19079 926 1 2 . 1 1 33 33 ALA H H 33 7.328 7.328 8.235 -0.907 19079 927 1 2 . 1 1 34 34 ASP N N 34 115.713 115.713 116.975 -1.262 19079 928 1 2 . 1 1 34 34 ASP HA H 34 4.194 4.194 4.527 -0.333 19079 929 1 2 . 1 1 34 34 ASP C C 34 175.750 175.750 174.536 1.214 19079 930 1 2 . 1 1 34 34 ASP CA C 34 55.269 55.269 55.623 -0.354 19079 931 1 2 . 1 1 34 34 ASP CB C 34 40.525 40.525 40.023 0.502 19079 932 1 2 . 1 1 34 34 ASP H H 34 7.927 7.927 8.051 -0.124 19079 933 1 2 . 1 1 35 35 LEU N N 35 119.485 119.485 118.147 1.338 19079 934 1 2 . 1 1 35 35 LEU HA H 35 5.102 5.102 4.905 0.197 19079 935 1 2 . 1 1 35 35 LEU C C 35 173.060 173.060 174.257 -1.197 19079 936 1 2 . 1 1 35 35 LEU CA C 35 54.268 54.268 53.548 0.720 19079 937 1 2 . 1 1 35 35 LEU CB C 35 47.326 47.326 46.178 1.147 19079 938 1 2 . 1 1 35 35 LEU H H 35 7.820 7.820 7.447 0.373 19079 939 1 2 . 1 1 36 36 GLN N N 36 127.748 127.748 118.872 8.876 19079 940 1 2 . 1 1 36 36 GLN HA H 36 4.790 4.790 5.131 -0.341 19079 941 1 2 . 1 1 36 36 GLN C C 36 173.161 173.161 173.968 -0.807 19079 942 1 2 . 1 1 36 36 GLN CA C 36 55.286 55.286 53.573 1.713 19079 943 1 2 . 1 1 36 36 GLN CB C 36 32.594 32.594 33.011 -0.417 19079 944 1 2 . 1 1 36 36 GLN H H 36 9.050 9.050 8.782 0.268 19079 945 1 2 . 1 1 37 37 ILE N N 37 125.606 125.606 120.122 5.484 19079 946 1 2 . 1 1 37 37 ILE HA H 37 4.807 4.807 4.533 0.274 19079 947 1 2 . 1 1 37 37 ILE C C 37 174.921 174.921 174.518 0.403 19079 948 1 2 . 1 1 37 37 ILE CA C 37 59.869 59.869 58.248 1.621 19079 949 1 2 . 1 1 37 37 ILE CB C 37 39.750 39.750 39.216 0.534 19079 950 1 2 . 1 1 37 37 ILE H H 37 8.828 8.828 8.450 0.378 19079 951 1 2 . 1 1 38 38 ASP N N 38 128.163 128.163 124.351 3.812 19079 952 1 2 . 1 1 38 38 ASP HA H 38 5.259 5.259 4.893 0.366 19079 953 1 2 . 1 1 38 38 ASP C C 38 176.122 176.122 175.074 1.048 19079 954 1 2 . 1 1 38 38 ASP CA C 38 52.316 52.316 51.833 0.483 19079 955 1 2 . 1 1 38 38 ASP CB C 38 43.251 43.251 44.890 -1.639 19079 956 1 2 . 1 1 38 38 ASP H H 38 9.226 9.226 8.012 1.214 19079 957 1 2 . 1 1 39 39 GLY N N 39 107.273 107.273 107.151 0.122 19079 958 1 2 . 1 1 39 39 GLY C C 39 171.808 171.808 173.037 -1.229 19079 959 1 2 . 1 1 39 39 GLY CA C 39 45.108 45.108 44.404 0.704 19079 960 1 2 . 1 1 39 39 GLY H H 39 8.682 8.682 8.598 0.084 19079 961 1 2 . 1 1 40 40 CYS N N 40 114.602 114.602 119.742 -5.140 19079 962 1 2 . 1 1 40 40 CYS HA H 40 4.832 4.832 4.525 0.307 19079 963 1 2 . 1 1 40 40 CYS CA C 40 55.517 55.517 58.654 -3.137 19079 964 1 2 . 1 1 40 40 CYS CB C 40 30.872 30.872 30.618 0.254 19079 965 1 2 . 1 1 40 40 CYS H H 40 7.784 7.784 8.126 -0.342 19079 966 1 2 . 1 1 41 41 ASP N N 41 121.388 121.388 123.664 -2.276 19079 967 1 2 . 1 1 41 41 ASP HA H 41 4.618 4.618 4.765 -0.147 19079 968 1 2 . 1 1 41 41 ASP CA C 41 54.808 54.808 54.565 0.243 19079 969 1 2 . 1 1 41 41 ASP CB C 41 41.299 41.299 41.107 0.192 19079 970 1 2 . 1 1 41 41 ASP H H 41 8.496 8.496 8.473 0.023 19079 971 1 2 . 1 1 42 42 GLN N N 42 118.506 118.506 119.749 -1.243 19079 972 1 2 . 1 1 42 42 GLN HA H 42 4.900 4.900 4.654 0.246 19079 973 1 2 . 1 1 42 42 GLN CA C 42 52.529 52.529 53.158 -0.629 19079 974 1 2 . 1 1 42 42 GLN CB C 42 30.580 30.580 28.583 1.997 19079 975 1 2 . 1 1 42 42 GLN H H 42 7.592 7.592 7.966 -0.374 19079 976 1 2 . 1 1 43 43 PRO HA H 43 4.438 4.438 4.476 -0.038 19079 977 1 2 . 1 1 43 43 PRO CA C 43 63.283 63.283 62.722 0.561 19079 978 1 2 . 1 1 43 43 PRO CB C 43 32.178 32.178 32.462 -0.284 19079 979 1 2 . 1 1 44 44 GLY N N 44 109.062 109.062 106.462 2.600 19079 980 1 2 . 1 1 44 44 GLY CA C 44 45.265 45.265 44.752 0.513 19079 981 1 2 . 1 1 44 44 GLY H H 44 8.249 8.249 8.067 0.182 19079 982 1 2 . 1 1 45 45 PRO HA H 45 4.535 4.535 4.407 0.128 19079 983 1 2 . 1 1 45 45 PRO CA C 45 63.511 63.511 63.441 0.070 19079 984 1 2 . 1 1 45 45 PRO CB C 45 33.193 33.193 31.862 1.331 19079 985 1 2 . 1 1 46 46 ASP N N 46 121.254 121.254 121.547 -0.293 19079 986 1 2 . 1 1 46 46 ASP HA H 46 4.784 4.784 4.426 0.358 19079 987 1 2 . 1 1 46 46 ASP C C 46 174.555 174.555 175.467 -0.912 19079 988 1 2 . 1 1 46 46 ASP CA C 46 55.268 55.268 55.269 -0.001 19079 989 1 2 . 1 1 46 46 ASP CB C 46 43.360 43.360 41.223 2.137 19079 990 1 2 . 1 1 46 46 ASP H H 46 8.533 8.533 8.292 0.241 19079 991 1 2 . 1 1 47 47 ASN N N 47 118.452 118.452 121.926 -3.474 19079 992 1 2 . 1 1 47 47 ASN HA H 47 4.912 4.912 4.862 0.050 19079 993 1 2 . 1 1 47 47 ASN C C 47 172.394 172.394 174.517 -2.123 19079 994 1 2 . 1 1 47 47 ASN CA C 47 52.877 52.877 52.048 0.829 19079 995 1 2 . 1 1 47 47 ASN CB C 47 42.185 42.185 39.239 2.946 19079 996 1 2 . 1 1 47 47 ASN H H 47 8.668 8.668 8.421 0.247 19079 997 1 2 . 1 1 48 48 ILE N N 48 126.910 126.910 125.326 1.584 19079 998 1 2 . 1 1 48 48 ILE HA H 48 5.269 5.269 3.963 1.306 19079 999 1 2 . 1 1 48 48 ILE CA C 48 57.457 57.457 60.958 -3.501 19079 1000 1 2 . 1 1 48 48 ILE CB C 48 39.411 39.411 37.422 1.989 19079 1001 1 2 . 1 1 48 48 ILE H H 48 8.377 8.377 8.296 0.081 19079 1002 1 2 . 1 1 49 49 PRO HA H 49 4.571 4.571 4.469 0.102 19079 1003 1 2 . 1 1 49 49 PRO CA C 49 62.019 62.019 62.480 -0.461 19079 1004 1 2 . 1 1 49 49 PRO CB C 49 34.068 34.068 32.647 1.421 19079 1005 1 2 . 1 1 50 50 ASP N N 50 117.512 117.512 116.775 0.737 19079 1006 1 2 . 1 1 50 50 ASP HA H 50 4.847 4.847 4.904 -0.057 19079 1007 1 2 . 1 1 50 50 ASP C C 50 175.105 175.105 175.141 -0.036 19079 1008 1 2 . 1 1 50 50 ASP CA C 50 52.186 52.186 54.177 -1.991 19079 1009 1 2 . 1 1 50 50 ASP CB C 50 40.206 40.206 40.678 -0.472 19079 1010 1 2 . 1 1 50 50 ASP H H 50 7.928 7.928 8.498 -0.570 19079 1011 1 2 . 1 1 51 51 CYS N N 51 117.841 117.841 119.037 -1.196 19079 1012 1 2 . 1 1 51 51 CYS HA H 51 4.645 4.645 4.663 -0.018 19079 1013 1 2 . 1 1 51 51 CYS C C 51 173.952 173.952 173.288 0.664 19079 1014 1 2 . 1 1 51 51 CYS CA C 51 57.079 57.079 59.448 -2.369 19079 1015 1 2 . 1 1 51 51 CYS CB C 51 31.834 31.834 29.399 2.435 19079 1016 1 2 . 1 1 51 51 CYS H H 51 6.998 6.998 8.352 -1.354 19079 1017 1 2 . 1 1 52 52 ASP N N 52 113.831 113.831 121.581 -7.750 19079 1018 1 2 . 1 1 52 52 ASP HA H 52 4.790 4.790 4.373 0.417 19079 1019 1 2 . 1 1 52 52 ASP C C 52 177.522 177.522 175.094 2.428 19079 1020 1 2 . 1 1 52 52 ASP CA C 52 52.266 52.266 54.710 -2.444 19079 1021 1 2 . 1 1 52 52 ASP CB C 52 41.108 41.108 37.937 3.171 19079 1022 1 2 . 1 1 52 52 ASP H H 52 7.839 7.839 8.679 -0.840 19079 1023 1 2 . 1 1 53 53 CYS N N 53 120.924 120.924 118.098 2.826 19079 1024 1 2 . 1 1 53 53 CYS HA H 53 4.176 4.176 4.411 -0.235 19079 1025 1 2 . 1 1 53 53 CYS C C 53 177.320 177.320 176.034 1.286 19079 1026 1 2 . 1 1 53 53 CYS CA C 53 62.456 62.456 59.229 3.227 19079 1027 1 2 . 1 1 53 53 CYS CB C 53 31.077 31.077 28.802 2.275 19079 1028 1 2 . 1 1 53 53 CYS H H 53 8.180 8.180 8.266 -0.086 19079 1029 1 2 . 1 1 54 54 THR N N 54 108.381 108.381 112.636 -4.255 19079 1030 1 2 . 1 1 54 54 THR HA H 54 4.168 4.168 4.480 -0.312 19079 1031 1 2 . 1 1 54 54 THR C C 54 172.044 172.044 175.002 -2.958 19079 1032 1 2 . 1 1 54 54 THR CA C 54 60.645 60.645 63.930 -3.285 19079 1033 1 2 . 1 1 54 54 THR CB C 54 69.425 69.425 69.738 -0.313 19079 1034 1 2 . 1 1 54 54 THR H H 54 8.728 8.728 8.189 0.539 19079 1035 1 2 . 1 1 55 55 SER N N 55 114.465 114.465 119.088 -4.623 19079 1036 1 2 . 1 1 55 55 SER HA H 55 4.906 4.906 4.982 -0.076 19079 1037 1 2 . 1 1 55 55 SER C C 55 172.897 172.897 174.370 -1.473 19079 1038 1 2 . 1 1 55 55 SER CA C 55 56.279 56.279 57.316 -1.037 19079 1039 1 2 . 1 1 55 55 SER CB C 55 66.156 66.156 63.828 2.328 19079 1040 1 2 . 1 1 55 55 SER H H 55 7.433 7.433 7.960 -0.527 19079 1041 1 2 . 1 1 56 56 GLY N N 56 106.492 106.492 113.682 -7.190 19079 1042 1 2 . 1 1 56 56 GLY C C 56 172.400 172.400 172.287 0.113 19079 1043 1 2 . 1 1 56 56 GLY CA C 56 46.778 46.778 44.300 2.478 19079 1044 1 2 . 1 1 56 56 GLY H H 56 8.431 8.431 8.565 -0.134 19079 1045 1 2 . 1 1 57 57 CYS N N 57 123.907 123.907 117.304 6.603 19079 1046 1 2 . 1 1 57 57 CYS HA H 57 5.755 5.755 5.692 0.063 19079 1047 1 2 . 1 1 57 57 CYS C C 57 171.012 171.012 173.063 -2.051 19079 1048 1 2 . 1 1 57 57 CYS CA C 57 54.317 54.317 56.891 -2.574 19079 1049 1 2 . 1 1 57 57 CYS CB C 57 32.040 32.040 30.674 1.366 19079 1050 1 2 . 1 1 57 57 CYS H H 57 9.782 9.782 8.558 1.224 19079 1051 1 2 . 1 1 58 58 TYR N N 58 121.251 121.251 121.806 -0.555 19079 1052 1 2 . 1 1 58 58 TYR HA H 58 6.413 6.413 5.575 0.838 19079 1053 1 2 . 1 1 58 58 TYR C C 58 172.177 172.177 173.478 -1.301 19079 1054 1 2 . 1 1 58 58 TYR CA C 58 54.179 54.179 54.139 0.040 19079 1055 1 2 . 1 1 58 58 TYR CB C 58 44.751 44.751 41.680 3.071 19079 1056 1 2 . 1 1 58 58 TYR H H 58 9.324 9.324 8.936 0.388 19079 1057 1 2 . 1 1 59 59 TYR N N 59 119.921 119.921 124.562 -4.641 19079 1058 1 2 . 1 1 59 59 TYR HA H 59 3.155 3.155 3.595 -0.440 19079 1059 1 2 . 1 1 59 59 TYR C C 59 173.490 173.490 174.367 -0.877 19079 1060 1 2 . 1 1 59 59 TYR CA C 59 56.439 56.439 56.639 -0.200 19079 1061 1 2 . 1 1 59 59 TYR CB C 59 38.280 38.280 37.156 1.124 19079 1062 1 2 . 1 1 59 59 TYR H H 59 7.851 7.851 7.656 0.195 19079 1063 1 2 . 1 1 60 60 SER N N 60 122.333 122.333 123.214 -0.881 19079 1064 1 2 . 1 1 60 60 SER HA H 60 4.286 4.286 4.072 0.214 19079 1065 1 2 . 1 1 60 60 SER C C 60 174.282 174.282 175.064 -0.782 19079 1066 1 2 . 1 1 60 60 SER CA C 60 54.201 54.201 57.088 -2.887 19079 1067 1 2 . 1 1 60 60 SER CB C 60 63.429 63.429 62.588 0.841 19079 1068 1 2 . 1 1 60 60 SER H H 60 7.184 7.184 8.046 -0.862 19079 1069 1 2 . 1 1 61 61 ARG N N 61 131.876 131.876 128.884 2.992 19079 1070 1 2 . 1 1 61 61 ARG HA H 61 3.755 3.755 3.657 0.098 19079 1071 1 2 . 1 1 61 61 ARG C C 61 179.454 179.454 177.597 1.857 19079 1072 1 2 . 1 1 61 61 ARG CA C 61 58.733 58.733 58.412 0.321 19079 1073 1 2 . 1 1 61 61 ARG CB C 61 29.216 29.216 30.086 -0.870 19079 1074 1 2 . 1 1 61 61 ARG H H 61 9.058 9.058 8.510 0.548 19079 1075 1 2 . 1 1 62 62 SER N N 62 115.806 115.806 114.316 1.490 19079 1076 1 2 . 1 1 62 62 SER HA H 62 4.021 4.021 4.184 -0.163 19079 1077 1 2 . 1 1 62 62 SER C C 62 177.405 177.405 175.402 2.003 19079 1078 1 2 . 1 1 62 62 SER CA C 62 60.787 60.787 60.944 -0.157 19079 1079 1 2 . 1 1 62 62 SER CB C 62 60.994 60.994 63.336 -2.342 19079 1080 1 2 . 1 1 62 62 SER H H 62 8.933 8.933 8.048 0.885 19079 1081 1 2 . 1 1 63 63 LEU N N 63 120.142 120.142 119.496 0.646 19079 1082 1 2 . 1 1 63 63 LEU HA H 63 4.315 4.315 4.468 -0.153 19079 1083 1 2 . 1 1 63 63 LEU C C 63 175.462 175.462 176.675 -1.213 19079 1084 1 2 . 1 1 63 63 LEU CA C 63 54.589 54.589 53.892 0.697 19079 1085 1 2 . 1 1 63 63 LEU CB C 63 41.583 41.583 41.345 0.238 19079 1086 1 2 . 1 1 63 63 LEU H H 63 7.372 7.372 7.337 0.035 19079 1087 1 2 . 1 1 64 64 ASP N N 64 124.723 124.723 118.347 6.376 19079 1088 1 2 . 1 1 64 64 ASP HA H 64 4.308 4.308 4.123 0.185 19079 1089 1 2 . 1 1 64 64 ASP C C 64 174.405 174.405 174.732 -0.327 19079 1090 1 2 . 1 1 64 64 ASP CA C 64 54.269 54.269 55.290 -1.021 19079 1091 1 2 . 1 1 64 64 ASP CB C 64 39.892 39.892 40.027 -0.135 19079 1092 1 2 . 1 1 64 64 ASP H H 64 8.122 8.122 7.705 0.417 19079 1093 1 2 . 1 1 65 65 ARG N N 65 111.932 111.932 113.294 -1.362 19079 1094 1 2 . 1 1 65 65 ARG HA H 65 4.648 4.648 4.698 -0.050 19079 1095 1 2 . 1 1 65 65 ARG C C 65 172.842 172.842 174.303 -1.461 19079 1096 1 2 . 1 1 65 65 ARG CA C 65 54.327 54.327 54.975 -0.648 19079 1097 1 2 . 1 1 65 65 ARG CB C 65 33.013 33.013 31.515 1.498 19079 1098 1 2 . 1 1 65 65 ARG H H 65 7.434 7.434 7.596 -0.162 19079 1099 1 2 . 1 1 66 66 TYR N N 66 121.286 121.286 122.086 -0.800 19079 1100 1 2 . 1 1 66 66 TYR HA H 66 4.821 4.821 4.810 0.011 19079 1101 1 2 . 1 1 66 66 TYR C C 66 176.123 176.123 176.441 -0.318 19079 1102 1 2 . 1 1 66 66 TYR CA C 66 56.752 56.752 59.334 -2.582 19079 1103 1 2 . 1 1 66 66 TYR CB C 66 41.877 41.877 39.167 2.710 19079 1104 1 2 . 1 1 66 66 TYR H H 66 8.068 8.068 8.695 -0.627 19079 1105 1 2 . 1 1 67 67 ILE N N 67 119.080 119.080 120.179 -1.099 19079 1106 1 2 . 1 1 67 67 ILE HA H 67 4.620 4.620 4.844 -0.224 19079 1107 1 2 . 1 1 67 67 ILE CA C 67 57.840 57.840 57.230 0.610 19079 1108 1 2 . 1 1 67 67 ILE CB C 67 41.191 41.191 41.391 -0.200 19079 1109 1 2 . 1 1 67 67 ILE H H 67 8.640 8.640 8.670 -0.030 19079 1110 1 2 . 1 1 68 68 PRO HA H 68 4.772 4.772 4.972 -0.200 19079 1111 1 2 . 1 1 68 68 PRO CA C 68 62.709 62.709 62.653 0.056 19079 1112 1 2 . 1 1 68 68 PRO CB C 68 32.923 32.923 31.162 1.761 19079 1113 1 2 . 1 1 69 69 VAL N N 69 120.668 120.668 116.289 4.379 19079 1114 1 2 . 1 1 69 69 VAL HA H 69 4.764 4.764 4.666 0.098 19079 1115 1 2 . 1 1 69 69 VAL C C 69 171.299 171.299 173.910 -2.611 19079 1116 1 2 . 1 1 69 69 VAL CA C 69 60.758 60.758 59.027 1.731 19079 1117 1 2 . 1 1 69 69 VAL CB C 69 36.158 36.158 35.814 0.344 19079 1118 1 2 . 1 1 69 69 VAL H H 69 8.866 8.866 8.731 0.135 19079 1119 1 2 . 1 1 70 70 GLU N N 70 127.352 127.352 121.883 5.469 19079 1120 1 2 . 1 1 70 70 GLU HA H 70 4.694 4.694 5.119 -0.425 19079 1121 1 2 . 1 1 70 70 GLU C C 70 176.084 176.084 175.430 0.654 19079 1122 1 2 . 1 1 70 70 GLU CA C 70 55.438 55.438 55.268 0.170 19079 1123 1 2 . 1 1 70 70 GLU CB C 70 31.941 31.941 31.692 0.249 19079 1124 1 2 . 1 1 70 70 GLU H H 70 8.303 8.303 8.579 -0.276 19079 1125 1 2 . 1 1 71 71 CYS N N 71 118.985 118.985 122.728 -3.743 19079 1126 1 2 . 1 1 71 71 CYS HA H 71 5.283 5.283 5.256 0.027 19079 1127 1 2 . 1 1 71 71 CYS C C 71 173.987 173.987 173.436 0.551 19079 1128 1 2 . 1 1 71 71 CYS CA C 71 56.927 56.927 55.722 1.204 19079 1129 1 2 . 1 1 71 71 CYS CB C 71 32.056 32.056 32.143 -0.087 19079 1130 1 2 . 1 1 71 71 CYS H H 71 8.044 8.044 9.208 -1.164 19079 1131 1 2 . 1 1 72 72 GLU N N 72 119.188 119.188 118.517 0.671 19079 1132 1 2 . 1 1 72 72 GLU HA H 72 4.550 4.550 4.554 -0.004 19079 1133 1 2 . 1 1 72 72 GLU C C 72 175.540 175.540 174.814 0.726 19079 1134 1 2 . 1 1 72 72 GLU CA C 72 54.422 54.422 54.112 0.310 19079 1135 1 2 . 1 1 72 72 GLU CB C 72 32.723 32.723 31.193 1.530 19079 1136 1 2 . 1 1 72 72 GLU H H 72 8.651 8.651 8.799 -0.148 19079 1137 1 2 . 1 1 73 73 ALA N N 73 128.127 128.127 127.497 0.630 19079 1138 1 2 . 1 1 73 73 ALA HA H 73 4.894 4.894 4.705 0.189 19079 1139 1 2 . 1 1 73 73 ALA C C 73 177.065 177.065 176.739 0.326 19079 1140 1 2 . 1 1 73 73 ALA CA C 73 51.934 51.934 51.175 0.759 19079 1141 1 2 . 1 1 73 73 ALA CB C 73 19.744 19.744 19.848 -0.104 19079 1142 1 2 . 1 1 73 73 ALA H H 73 8.825 8.825 8.429 0.396 19079 1143 1 2 . 1 1 74 74 HIS N N 74 120.049 120.049 122.541 -2.492 19079 1144 1 2 . 1 1 74 74 HIS HA H 74 4.730 4.730 4.753 -0.023 19079 1145 1 2 . 1 1 74 74 HIS C C 74 173.973 173.973 175.282 -1.309 19079 1146 1 2 . 1 1 74 74 HIS CA C 74 54.940 54.940 54.104 0.836 19079 1147 1 2 . 1 1 74 74 HIS CB C 74 32.641 32.641 32.308 0.333 19079 1148 1 2 . 1 1 74 74 HIS H H 74 8.813 8.813 8.375 0.438 19079 1149 1 2 . 1 1 75 75 ASP N N 75 125.469 125.469 124.434 1.035 19079 1150 1 2 . 1 1 75 75 ASP HA H 75 4.619 4.619 4.509 0.110 19079 1151 1 2 . 1 1 75 75 ASP CA C 75 57.576 57.576 57.357 0.219 19079 1152 1 2 . 1 1 75 75 ASP CB C 75 42.215 42.215 41.346 0.869 19079 1153 1 2 . 1 1 75 75 ASP H H 75 8.951 8.951 8.976 -0.025 19079 1154 1 2 . 1 1 76 76 TRP N N 76 113.768 113.768 113.408 0.360 19079 1155 1 2 . 1 1 76 76 TRP HA H 76 5.455 5.455 4.756 0.699 19079 1156 1 2 . 1 1 76 76 TRP CA C 76 54.833 54.833 56.297 -1.464 19079 1157 1 2 . 1 1 76 76 TRP CB C 76 31.701 31.701 29.997 1.704 19079 1158 1 2 . 1 1 76 76 TRP H H 76 7.574 7.574 7.130 0.444 19079 1159 1 2 . 1 1 77 77 TYR N N 77 122.650 122.650 121.546 1.104 19079 1160 1 2 . 1 1 77 77 TYR CA C 77 57.248 57.248 55.302 1.946 19079 1161 1 2 . 1 1 77 77 TYR CB C 77 33.700 33.700 41.501 -7.801 19079 1162 1 2 . 1 1 77 77 TYR H H 77 8.981 8.981 7.872 1.109 19079 1163 1 2 . 1 1 78 78 PRO HA H 78 4.493 4.493 4.747 -0.254 19079 1164 1 2 . 1 1 78 78 PRO CA C 78 62.242 62.242 62.954 -0.712 19079 1165 1 2 . 1 1 78 78 PRO CB C 78 31.237 31.237 32.080 -0.843 19079 1166 1 2 . 1 1 79 79 VAL N N 79 123.871 123.871 125.196 -1.325 19079 1167 1 2 . 1 1 79 79 VAL HA H 79 3.953 3.953 4.439 -0.486 19079 1168 1 2 . 1 1 79 79 VAL C C 79 174.991 174.991 174.542 0.449 19079 1169 1 2 . 1 1 79 79 VAL CA C 79 61.545 61.545 59.551 1.994 19079 1170 1 2 . 1 1 79 79 VAL CB C 79 33.090 33.090 33.675 -0.585 19079 1171 1 2 . 1 1 79 79 VAL H H 79 8.512 8.512 9.008 -0.496 19079 1172 1 2 . 1 1 80 80 GLU N N 80 124.050 124.050 128.302 -4.252 19079 1173 1 2 . 1 1 80 80 GLU HA H 80 4.072 4.072 4.167 -0.095 19079 1174 1 2 . 1 1 80 80 GLU C C 80 175.607 175.607 175.390 0.217 19079 1175 1 2 . 1 1 80 80 GLU CA C 80 56.291 56.291 56.969 -0.678 19079 1176 1 2 . 1 1 80 80 GLU CB C 80 30.272 30.272 30.066 0.206 19079 1177 1 2 . 1 1 80 80 GLU H H 80 8.068 8.068 8.566 -0.498 19079 1178 1 2 . 1 1 81 81 GLU N N 81 120.701 120.701 121.091 -0.390 19079 1179 1 2 . 1 1 81 81 GLU HA H 81 4.194 4.194 4.259 -0.065 19079 1180 1 2 . 1 1 81 81 GLU C C 81 175.817 175.817 176.285 -0.468 19079 1181 1 2 . 1 1 81 81 GLU CA C 81 57.390 57.390 57.434 -0.045 19079 1182 1 2 . 1 1 81 81 GLU CB C 81 30.713 30.713 29.291 1.422 19079 1183 1 2 . 1 1 81 81 GLU H H 81 8.751 8.751 8.714 0.037 19079 1184 1 2 . 1 1 82 82 THR N N 82 115.162 115.162 118.816 -3.654 19079 1185 1 2 . 1 1 82 82 THR HA H 82 4.688 4.688 4.307 0.381 19079 1186 1 2 . 1 1 82 82 THR CA C 82 60.041 60.041 61.885 -1.844 19079 1187 1 2 . 1 1 82 82 THR CB C 82 73.866 73.866 69.454 4.412 19079 1188 1 2 . 1 1 82 82 THR H H 82 8.631 8.631 8.663 -0.032 19079 1189 1 2 . 1 1 83 83 GLN N N 83 116.650 116.650 118.835 -2.185 19079 1190 1 2 . 1 1 83 83 GLN HA H 83 4.629 4.629 3.996 0.633 19079 1191 1 2 . 1 1 83 83 GLN CA C 83 57.643 57.643 58.440 -0.796 19079 1192 1 2 . 1 1 83 83 GLN CB C 83 30.537 30.537 27.734 2.803 19079 1193 1 2 . 1 1 83 83 GLN H H 83 8.714 8.714 8.748 -0.034 19079 1194 1 2 . 1 1 86 86 PRO HA H 86 4.779 4.779 4.553 0.226 19079 1195 1 2 . 1 1 86 86 PRO CA C 86 62.018 62.018 62.621 -0.603 19079 1196 1 2 . 1 1 86 86 PRO CB C 86 32.818 32.818 32.631 0.187 19079 1197 1 2 . 1 1 87 87 LYS N N 87 123.136 123.136 120.282 2.854 19079 1198 1 2 . 1 1 87 87 LYS HA H 87 4.545 4.545 4.523 0.022 19079 1199 1 2 . 1 1 87 87 LYS C C 87 176.411 176.411 176.581 -0.170 19079 1200 1 2 . 1 1 87 87 LYS CA C 87 57.800 57.800 56.956 0.844 19079 1201 1 2 . 1 1 87 87 LYS CB C 87 32.322 32.322 32.304 0.018 19079 1202 1 2 . 1 1 87 87 LYS H H 87 8.936 8.936 8.221 0.715 19079 1203 1 2 . 1 1 88 88 HIS N N 88 119.788 119.788 122.974 -3.186 19079 1204 1 2 . 1 1 88 88 HIS HA H 88 4.973 4.973 4.674 0.299 19079 1205 1 2 . 1 1 88 88 HIS C C 88 171.431 171.431 173.303 -1.872 19079 1206 1 2 . 1 1 88 88 HIS CA C 88 55.171 55.171 56.048 -0.877 19079 1207 1 2 . 1 1 88 88 HIS CB C 88 29.695 29.695 32.951 -3.256 19079 1208 1 2 . 1 1 88 88 HIS H H 88 8.490 8.490 8.383 0.107 19079 1209 1 2 . 1 1 89 89 ILE N N 89 120.371 120.371 120.538 -0.167 19079 1210 1 2 . 1 1 89 89 ILE HA H 89 4.453 4.453 4.770 -0.317 19079 1211 1 2 . 1 1 89 89 ILE C C 89 176.167 176.167 175.584 0.583 19079 1212 1 2 . 1 1 89 89 ILE CA C 89 60.066 60.066 59.680 0.386 19079 1213 1 2 . 1 1 89 89 ILE CB C 89 38.855 38.855 40.025 -1.170 19079 1214 1 2 . 1 1 89 89 ILE H H 89 8.417 8.417 8.172 0.245 19079 1215 1 2 . 1 1 90 90 GLN N N 90 122.913 122.913 124.533 -1.620 19079 1216 1 2 . 1 1 90 90 GLN HA H 90 5.313 5.313 4.791 0.522 19079 1217 1 2 . 1 1 90 90 GLN CA C 90 54.194 54.194 54.063 0.131 19079 1218 1 2 . 1 1 90 90 GLN CB C 90 32.780 32.780 30.943 1.837 19079 1219 1 2 . 1 1 90 90 GLN H H 90 8.286 8.286 8.829 -0.543 19079 1220 1 2 . 1 1 91 91 TYR N N 91 117.779 117.779 117.168 0.611 19079 1221 1 2 . 1 1 91 91 TYR HA H 91 5.394 5.394 4.999 0.395 19079 1222 1 2 . 1 1 91 91 TYR C C 91 175.762 175.762 174.885 0.877 19079 1223 1 2 . 1 1 91 91 TYR CA C 91 56.672 56.672 58.062 -1.390 19079 1224 1 2 . 1 1 91 91 TYR CB C 91 41.701 41.701 42.636 -0.935 19079 1225 1 2 . 1 1 91 91 TYR H H 91 8.086 8.086 8.403 -0.317 19079 1226 1 2 . 1 1 92 92 ASN N N 92 113.182 113.182 116.526 -3.344 19079 1227 1 2 . 1 1 92 92 ASN HA H 92 4.558 4.558 4.367 0.191 19079 1228 1 2 . 1 1 92 92 ASN C C 92 172.369 172.369 174.062 -1.693 19079 1229 1 2 . 1 1 92 92 ASN CA C 92 55.522 55.522 54.108 1.414 19079 1230 1 2 . 1 1 92 92 ASN CB C 92 37.732 37.732 36.731 1.000 19079 1231 1 2 . 1 1 92 92 ASN H H 92 8.529 8.529 8.635 -0.106 19079 1232 1 2 . 1 1 93 93 LEU N N 93 117.359 117.359 118.694 -1.335 19079 1233 1 2 . 1 1 93 93 LEU HA H 93 5.455 5.455 4.869 0.586 19079 1234 1 2 . 1 1 93 93 LEU C C 93 177.709 177.709 175.668 2.041 19079 1235 1 2 . 1 1 93 93 LEU CA C 93 54.341 54.341 54.428 -0.087 19079 1236 1 2 . 1 1 93 93 LEU CB C 93 47.006 47.006 43.621 3.385 19079 1237 1 2 . 1 1 93 93 LEU H H 93 7.846 7.846 7.533 0.313 19079 1238 1 2 . 1 1 94 94 LEU N N 94 123.298 123.298 124.788 -1.490 19079 1239 1 2 . 1 1 94 94 LEU HA H 94 5.014 5.014 4.896 0.118 19079 1240 1 2 . 1 1 94 94 LEU C C 94 175.771 175.771 176.043 -0.272 19079 1241 1 2 . 1 1 94 94 LEU CA C 94 53.889 53.889 54.051 -0.162 19079 1242 1 2 . 1 1 94 94 LEU CB C 94 44.784 44.784 43.730 1.054 19079 1243 1 2 . 1 1 94 94 LEU H H 94 9.155 9.155 8.439 0.716 19079 1244 1 2 . 1 1 95 95 ILE N N 95 121.585 121.585 124.484 -2.899 19079 1245 1 2 . 1 1 95 95 ILE HA H 95 5.166 5.166 4.585 0.581 19079 1246 1 2 . 1 1 95 95 ILE C C 95 175.885 175.885 175.337 0.548 19079 1247 1 2 . 1 1 95 95 ILE CA C 95 59.795 59.795 58.884 0.911 19079 1248 1 2 . 1 1 95 95 ILE CB C 95 39.820 39.820 38.997 0.823 19079 1249 1 2 . 1 1 95 95 ILE H H 95 8.920 8.920 7.779 1.141 19079 1250 1 2 . 1 1 96 96 GLY N N 96 115.891 115.891 114.776 1.115 19079 1251 1 2 . 1 1 96 96 GLY C C 96 171.937 171.937 172.739 -0.802 19079 1252 1 2 . 1 1 96 96 GLY CA C 96 44.865 44.865 44.757 0.109 19079 1253 1 2 . 1 1 96 96 GLY H H 96 9.223 9.223 8.913 0.310 19079 1254 1 2 . 1 1 97 97 GLU N N 97 119.340 119.340 125.729 -6.389 19079 1255 1 2 . 1 1 97 97 GLU HA H 97 4.831 4.831 4.326 0.505 19079 1256 1 2 . 1 1 97 97 GLU C C 97 175.567 175.567 175.941 -0.374 19079 1257 1 2 . 1 1 97 97 GLU CA C 97 55.736 55.736 56.831 -1.095 19079 1258 1 2 . 1 1 97 97 GLU CB C 97 31.009 31.009 30.185 0.824 19079 1259 1 2 . 1 1 97 97 GLU H H 97 8.197 8.197 8.559 -0.362 19079 1260 1 2 . 1 1 98 98 GLY N N 98 113.912 113.912 113.172 0.740 19079 1261 1 2 . 1 1 98 98 GLY CA C 98 45.089 45.089 43.717 1.372 19079 1262 1 2 . 1 1 98 98 GLY H H 98 7.767 7.767 7.474 0.293 19079 1263 1 2 . 1 1 99 99 PRO HA H 99 4.347 4.347 4.568 -0.221 19079 1264 1 2 . 1 1 99 99 PRO CA C 99 62.396 62.396 62.468 -0.072 19079 1265 1 2 . 1 1 99 99 PRO CB C 99 32.558 32.558 33.143 -0.585 19079 1266 1 2 . 1 1 100 100 CYS N N 100 122.972 122.972 119.722 3.250 19079 1267 1 2 . 1 1 100 100 CYS HA H 100 4.567 4.567 4.786 -0.219 19079 1268 1 2 . 1 1 100 100 CYS C C 100 172.077 172.077 173.537 -1.460 19079 1269 1 2 . 1 1 100 100 CYS CA C 100 60.097 60.097 57.984 2.113 19079 1270 1 2 . 1 1 100 100 CYS CB C 100 28.063 28.063 29.503 -1.440 19079 1271 1 2 . 1 1 100 100 CYS H H 100 8.219 8.219 8.167 0.052 19079 1272 1 2 . 1 1 101 101 VAL N N 101 123.973 123.973 120.453 3.520 19079 1273 1 2 . 1 1 101 101 VAL HA H 101 4.888 4.888 4.560 0.328 19079 1274 1 2 . 1 1 101 101 VAL CA C 101 58.947 58.947 58.767 0.180 19079 1275 1 2 . 1 1 101 101 VAL CB C 101 32.322 32.322 33.928 -1.606 19079 1276 1 2 . 1 1 101 101 VAL H H 101 8.662 8.662 8.221 0.441 19079 1277 1 2 . 1 1 103 103 GLY C C 103 175.333 175.333 175.381 -0.048 19079 1278 1 2 . 1 1 103 103 GLY CA C 103 45.683 45.683 45.400 0.283 19079 1279 1 2 . 1 1 104 104 ASP N N 104 121.740 121.740 124.122 -2.382 19079 1280 1 2 . 1 1 104 104 ASP HA H 104 4.836 4.836 4.419 0.417 19079 1281 1 2 . 1 1 104 104 ASP C C 104 176.601 176.601 175.826 0.775 19079 1282 1 2 . 1 1 104 104 ASP CA C 104 54.700 54.700 56.383 -1.683 19079 1283 1 2 . 1 1 104 104 ASP CB C 104 41.322 41.322 41.017 0.305 19079 1284 1 2 . 1 1 104 104 ASP H H 104 8.217 8.217 8.062 0.155 19079 1285 1 2 . 1 1 105 105 ALA N N 105 121.750 121.750 119.574 2.176 19079 1286 1 2 . 1 1 105 105 ALA HA H 105 3.707 3.707 4.126 -0.419 19079 1287 1 2 . 1 1 105 105 ALA C C 105 175.218 175.218 177.732 -2.514 19079 1288 1 2 . 1 1 105 105 ALA CA C 105 54.002 54.002 53.717 0.285 19079 1289 1 2 . 1 1 105 105 ALA CB C 105 18.021 18.021 18.621 -0.600 19079 1290 1 2 . 1 1 105 105 ALA H H 105 7.672 7.672 8.123 -0.451 19079 1291 1 2 . 1 1 106 106 GLY N N 106 110.675 110.675 111.177 -0.502 19079 1292 1 2 . 1 1 106 106 GLY C C 106 174.112 174.112 174.423 -0.311 19079 1293 1 2 . 1 1 106 106 GLY CA C 106 45.354 45.354 44.734 0.620 19079 1294 1 2 . 1 1 106 106 GLY H H 106 8.781 8.781 8.227 0.554 19079 1295 1 2 . 1 1 107 107 GLY N N 107 104.052 104.052 109.886 -5.834 19079 1296 1 2 . 1 1 107 107 GLY C C 107 173.970 173.970 174.124 -0.154 19079 1297 1 2 . 1 1 107 107 GLY CA C 107 46.405 46.405 44.846 1.558 19079 1298 1 2 . 1 1 107 107 GLY H H 107 7.727 7.727 7.850 -0.123 19079 1299 1 2 . 1 1 108 108 LYS N N 108 122.212 122.212 125.732 -3.520 19079 1300 1 2 . 1 1 108 108 LYS HA H 108 4.442 4.442 4.297 0.145 19079 1301 1 2 . 1 1 108 108 LYS C C 108 175.056 175.056 175.788 -0.732 19079 1302 1 2 . 1 1 108 108 LYS CA C 108 58.497 58.497 56.361 2.136 19079 1303 1 2 . 1 1 108 108 LYS CB C 108 36.053 36.053 33.138 2.915 19079 1304 1 2 . 1 1 108 108 LYS H H 108 8.553 8.553 8.382 0.171 19079 1305 1 2 . 1 1 109 109 LEU N N 109 119.300 119.300 128.167 -8.867 19079 1306 1 2 . 1 1 109 109 LEU HA H 109 4.881 4.881 5.021 -0.140 19079 1307 1 2 . 1 1 109 109 LEU C C 109 175.017 175.017 174.716 0.301 19079 1308 1 2 . 1 1 109 109 LEU CA C 109 53.372 53.372 53.822 -0.450 19079 1309 1 2 . 1 1 109 109 LEU CB C 109 43.275 43.275 43.048 0.227 19079 1310 1 2 . 1 1 109 109 LEU H H 109 8.065 8.065 8.922 -0.857 19079 1311 1 2 . 1 1 110 110 LEU N N 110 126.757 126.757 128.178 -1.421 19079 1312 1 2 . 1 1 110 110 LEU HA H 110 5.498 5.498 4.710 0.788 19079 1313 1 2 . 1 1 110 110 LEU C C 110 176.125 176.125 175.751 0.374 19079 1314 1 2 . 1 1 110 110 LEU CA C 110 55.318 55.318 54.641 0.677 19079 1315 1 2 . 1 1 110 110 LEU CB C 110 44.799 44.799 43.712 1.087 19079 1316 1 2 . 1 1 110 110 LEU H H 110 9.450 9.450 9.050 0.400 19079 1317 1 2 . 1 1 111 111 CYS N N 111 118.897 118.897 121.160 -2.263 19079 1318 1 2 . 1 1 111 111 CYS HA H 111 5.254 5.254 4.830 0.424 19079 1319 1 2 . 1 1 111 111 CYS C C 111 177.063 177.063 175.836 1.227 19079 1320 1 2 . 1 1 111 111 CYS CA C 111 57.201 57.201 56.379 0.822 19079 1321 1 2 . 1 1 111 111 CYS CB C 111 32.532 32.532 30.912 1.620 19079 1322 1 2 . 1 1 111 111 CYS H H 111 8.575 8.575 8.652 -0.077 19079 1323 1 2 . 1 1 112 112 ARG N N 112 116.382 116.382 120.143 -3.761 19079 1324 1 2 . 1 1 112 112 ARG HA H 112 3.918 3.918 3.902 0.016 19079 1325 1 2 . 1 1 112 112 ARG C C 112 176.892 176.892 177.465 -0.573 19079 1326 1 2 . 1 1 112 112 ARG CA C 112 59.714 59.714 58.645 1.069 19079 1327 1 2 . 1 1 112 112 ARG CB C 112 29.874 29.874 29.374 0.500 19079 1328 1 2 . 1 1 112 112 ARG H H 112 8.350 8.350 8.628 -0.278 19079 1329 1 2 . 1 1 113 113 HIS N N 113 121.579 121.579 113.976 7.603 19079 1330 1 2 . 1 1 113 113 HIS HA H 113 4.480 4.480 4.716 -0.236 19079 1331 1 2 . 1 1 113 113 HIS C C 113 175.439 175.439 175.700 -0.261 19079 1332 1 2 . 1 1 113 113 HIS CA C 113 58.739 58.739 56.327 2.412 19079 1333 1 2 . 1 1 113 113 HIS CB C 113 31.050 31.050 30.873 0.177 19079 1334 1 2 . 1 1 113 113 HIS H H 113 10.445 10.445 7.164 3.281 19079 1335 1 2 . 1 1 114 114 GLY N N 114 108.273 108.273 105.624 2.649 19079 1336 1 2 . 1 1 114 114 GLY C C 114 169.307 169.307 173.077 -3.770 19079 1337 1 2 . 1 1 114 114 GLY CA C 114 45.413 45.413 44.928 0.485 19079 1338 1 2 . 1 1 114 114 GLY H H 114 7.689 7.689 7.474 0.215 19079 1339 1 2 . 1 1 115 115 VAL N N 115 120.998 120.998 122.610 -1.612 19079 1340 1 2 . 1 1 115 115 VAL HA H 115 4.476 4.476 4.066 0.410 19079 1341 1 2 . 1 1 115 115 VAL C C 115 173.881 173.881 176.531 -2.650 19079 1342 1 2 . 1 1 115 115 VAL CA C 115 62.513 62.513 64.136 -1.623 19079 1343 1 2 . 1 1 115 115 VAL CB C 115 32.113 32.113 31.484 0.629 19079 1344 1 2 . 1 1 115 115 VAL H H 115 8.455 8.455 8.421 0.034 19079 1345 1 2 . 1 1 116 116 ILE N N 116 114.566 114.566 117.406 -2.840 19079 1346 1 2 . 1 1 116 116 ILE HA H 116 4.603 4.603 4.617 -0.014 19079 1347 1 2 . 1 1 116 116 ILE C C 116 175.445 175.445 174.962 0.483 19079 1348 1 2 . 1 1 116 116 ILE CA C 116 61.470 61.470 60.500 0.970 19079 1349 1 2 . 1 1 116 116 ILE CB C 116 40.782 40.782 39.214 1.568 19079 1350 1 2 . 1 1 116 116 ILE H H 116 8.460 8.460 8.921 -0.461 19079 1351 1 2 . 1 1 117 117 GLY N N 117 106.195 106.195 107.462 -1.267 19079 1352 1 2 . 1 1 117 117 GLY C C 117 171.664 171.664 171.806 -0.142 19079 1353 1 2 . 1 1 117 117 GLY CA C 117 46.303 46.303 45.759 0.544 19079 1354 1 2 . 1 1 117 117 GLY H H 117 7.827 7.827 7.454 0.373 19079 1355 1 2 . 1 1 118 118 ILE N N 118 109.501 109.501 115.584 -6.083 19079 1356 1 2 . 1 1 118 118 ILE HA H 118 5.611 5.611 5.441 0.170 19079 1357 1 2 . 1 1 118 118 ILE C C 118 176.642 176.642 175.542 1.100 19079 1358 1 2 . 1 1 118 118 ILE CA C 118 58.787 58.787 57.884 0.903 19079 1359 1 2 . 1 1 118 118 ILE CB C 118 43.351 43.351 42.031 1.320 19079 1360 1 2 . 1 1 118 118 ILE H H 118 7.571 7.571 8.149 -0.578 19079 1361 1 2 . 1 1 119 119 ILE N N 119 124.258 124.258 120.254 4.004 19079 1362 1 2 . 1 1 119 119 ILE HA H 119 3.774 3.774 4.612 -0.838 19079 1363 1 2 . 1 1 119 119 ILE C C 119 177.447 177.447 176.635 0.812 19079 1364 1 2 . 1 1 119 119 ILE CA C 119 64.399 64.399 62.271 2.128 19079 1365 1 2 . 1 1 119 119 ILE CB C 119 39.393 39.393 36.935 2.458 19079 1366 1 2 . 1 1 119 119 ILE H H 119 9.465 9.465 8.312 1.153 19079 1367 1 2 . 1 1 120 120 THR N N 120 122.153 122.153 123.960 -1.807 19079 1368 1 2 . 1 1 120 120 THR HA H 120 4.670 4.670 4.572 0.098 19079 1369 1 2 . 1 1 120 120 THR C C 120 171.416 171.416 174.043 -2.627 19079 1370 1 2 . 1 1 120 120 THR CA C 120 61.440 61.440 61.691 -0.251 19079 1371 1 2 . 1 1 120 120 THR CB C 120 70.455 70.455 69.680 0.775 19079 1372 1 2 . 1 1 120 120 THR H H 120 9.400 9.400 8.472 0.928 19079 1373 1 2 . 1 1 121 121 ALA N N 121 124.014 124.014 122.563 1.451 19079 1374 1 2 . 1 1 121 121 ALA HA H 121 4.583 4.583 4.628 -0.045 19079 1375 1 2 . 1 1 121 121 ALA C C 121 173.695 173.695 174.798 -1.103 19079 1376 1 2 . 1 1 121 121 ALA CA C 121 51.833 51.833 51.414 0.419 19079 1377 1 2 . 1 1 121 121 ALA CB C 121 22.523 22.523 21.388 1.135 19079 1378 1 2 . 1 1 121 121 ALA H H 121 7.885 7.885 7.256 0.629 19079 1379 1 2 . 1 1 122 122 GLY N N 122 103.252 103.252 107.425 -4.173 19079 1380 1 2 . 1 1 122 122 GLY C C 122 172.124 172.124 173.538 -1.414 19079 1381 1 2 . 1 1 122 122 GLY CA C 122 45.917 45.917 44.903 1.014 19079 1382 1 2 . 1 1 122 122 GLY H H 122 7.828 7.828 8.132 -0.304 19079 1383 1 2 . 1 1 123 123 GLY N N 123 107.688 107.688 108.995 -1.307 19079 1384 1 2 . 1 1 123 123 GLY C C 123 174.470 174.470 172.794 1.676 19079 1385 1 2 . 1 1 123 123 GLY CA C 123 45.051 45.051 44.966 0.085 19079 1386 1 2 . 1 1 123 123 GLY H H 123 8.285 8.285 8.896 -0.611 19079 1387 1 2 . 1 1 124 124 ASP N N 124 120.288 120.288 121.886 -1.598 19079 1388 1 2 . 1 1 124 124 ASP HA H 124 4.621 4.621 4.716 -0.095 19079 1389 1 2 . 1 1 124 124 ASP C C 124 176.061 176.061 176.378 -0.317 19079 1390 1 2 . 1 1 124 124 ASP CA C 124 55.465 55.465 53.686 1.779 19079 1391 1 2 . 1 1 124 124 ASP CB C 124 40.111 40.111 40.523 -0.412 19079 1392 1 2 . 1 1 124 124 ASP H H 124 9.054 9.054 8.346 0.708 19079 1393 1 2 . 1 1 125 125 GLY N N 125 105.482 105.482 111.178 -5.696 19079 1394 1 2 . 1 1 125 125 GLY C C 125 174.566 174.566 173.101 1.465 19079 1395 1 2 . 1 1 125 125 GLY CA C 125 45.493 45.493 45.497 -0.004 19079 1396 1 2 . 1 1 125 125 GLY H H 125 8.567 8.567 8.764 -0.197 19079 1397 1 2 . 1 1 126 126 HIS N N 126 117.677 117.677 117.627 0.050 19079 1398 1 2 . 1 1 126 126 HIS HA H 126 5.449 5.449 4.978 0.471 19079 1399 1 2 . 1 1 126 126 HIS C C 126 172.058 172.058 172.884 -0.826 19079 1400 1 2 . 1 1 126 126 HIS CA C 126 54.653 54.653 54.653 0.000 19079 1401 1 2 . 1 1 126 126 HIS CB C 126 31.709 31.709 32.716 -1.007 19079 1402 1 2 . 1 1 126 126 HIS H H 126 7.852 7.852 7.564 0.288 19079 1403 1 2 . 1 1 127 127 VAL N N 127 121.145 121.145 123.992 -2.847 19079 1404 1 2 . 1 1 127 127 VAL HA H 127 4.230 4.230 4.215 0.015 19079 1405 1 2 . 1 1 127 127 VAL C C 127 170.317 170.317 172.629 -2.312 19079 1406 1 2 . 1 1 127 127 VAL CA C 127 60.125 60.125 59.391 0.734 19079 1407 1 2 . 1 1 127 127 VAL CB C 127 34.681 34.681 35.397 -0.716 19079 1408 1 2 . 1 1 127 127 VAL H H 127 8.857 8.857 8.390 0.467 19079 1409 1 2 . 1 1 128 128 ALA N N 128 127.867 127.867 129.968 -2.101 19079 1410 1 2 . 1 1 128 128 ALA HA H 128 5.222 5.222 4.797 0.425 19079 1411 1 2 . 1 1 128 128 ALA C C 128 175.506 175.506 175.633 -0.127 19079 1412 1 2 . 1 1 128 128 ALA CA C 128 49.199 49.199 49.601 -0.402 19079 1413 1 2 . 1 1 128 128 ALA CB C 128 21.731 21.731 21.128 0.603 19079 1414 1 2 . 1 1 128 128 ALA H H 128 8.400 8.400 8.296 0.104 19079 1415 1 2 . 1 1 129 129 PHE N N 129 121.202 121.202 117.516 3.686 19079 1416 1 2 . 1 1 129 129 PHE HA H 129 5.301 5.301 5.215 0.086 19079 1417 1 2 . 1 1 129 129 PHE C C 129 176.082 176.082 175.586 0.496 19079 1418 1 2 . 1 1 129 129 PHE CA C 129 54.759 54.759 56.341 -1.582 19079 1419 1 2 . 1 1 129 129 PHE CB C 129 41.372 41.372 43.320 -1.948 19079 1420 1 2 . 1 1 129 129 PHE H H 129 9.689 9.689 8.150 1.539 19079 1421 1 2 . 1 1 130 130 THR N N 130 121.809 121.809 119.459 2.350 19079 1422 1 2 . 1 1 130 130 THR HA H 130 4.573 4.573 4.695 -0.122 19079 1423 1 2 . 1 1 130 130 THR C C 130 173.050 173.050 174.219 -1.169 19079 1424 1 2 . 1 1 130 130 THR CA C 130 63.487 63.487 62.163 1.323 19079 1425 1 2 . 1 1 130 130 THR CB C 130 70.852 70.852 69.646 1.206 19079 1426 1 2 . 1 1 130 130 THR H H 130 8.848 8.848 9.176 -0.328 19079 1427 1 2 . 1 1 131 131 ASP N N 131 128.382 128.382 130.141 -1.759 19079 1428 1 2 . 1 1 131 131 ASP HA H 131 4.915 4.915 4.928 -0.013 19079 1429 1 2 . 1 1 131 131 ASP C C 131 175.616 175.616 176.825 -1.209 19079 1430 1 2 . 1 1 131 131 ASP CA C 131 52.924 52.924 54.977 -2.053 19079 1431 1 2 . 1 1 131 131 ASP CB C 131 41.513 41.513 41.173 0.340 19079 1432 1 2 . 1 1 131 131 ASP H H 131 8.722 8.722 8.528 0.194 19079 1433 1 2 . 1 1 132 132 LEU N N 132 123.250 123.250 125.314 -2.064 19079 1434 1 2 . 1 1 132 132 LEU HA H 132 4.325 4.325 4.502 -0.177 19079 1435 1 2 . 1 1 132 132 LEU C C 132 179.704 179.704 178.323 1.381 19079 1436 1 2 . 1 1 132 132 LEU CA C 132 55.286 55.286 56.178 -0.892 19079 1437 1 2 . 1 1 132 132 LEU CB C 132 42.640 42.640 42.068 0.572 19079 1438 1 2 . 1 1 132 132 LEU H H 132 8.788 8.788 8.216 0.572 19079 1439 1 2 . 1 1 133 133 ARG N N 133 119.561 119.561 121.536 -1.975 19079 1440 1 2 . 1 1 133 133 ARG HA H 133 3.977 3.977 4.309 -0.332 19079 1441 1 2 . 1 1 133 133 ARG C C 133 177.476 177.476 176.472 1.004 19079 1442 1 2 . 1 1 133 133 ARG CA C 133 61.799 61.799 60.904 0.895 19079 1443 1 2 . 1 1 133 133 ARG CB C 133 27.601 27.601 28.256 -0.655 19079 1444 1 2 . 1 1 133 133 ARG H H 133 8.961 8.961 7.815 1.146 19079 1445 1 2 . 1 1 134 134 PRO HA H 134 4.284 4.284 4.341 -0.057 19079 1446 1 2 . 1 1 134 134 PRO C C 134 175.695 175.695 176.592 -0.897 19079 1447 1 2 . 1 1 134 134 PRO CA C 134 64.508 64.508 64.245 0.263 19079 1448 1 2 . 1 1 134 134 PRO CB C 134 31.008 31.008 31.378 -0.370 19079 1449 1 2 . 1 1 135 135 TYR N N 135 114.745 114.745 117.934 -3.189 19079 1450 1 2 . 1 1 135 135 TYR HA H 135 4.420 4.420 4.515 -0.095 19079 1451 1 2 . 1 1 135 135 TYR C C 135 175.146 175.146 175.509 -0.363 19079 1452 1 2 . 1 1 135 135 TYR CA C 135 57.322 57.322 59.542 -2.220 19079 1453 1 2 . 1 1 135 135 TYR CB C 135 39.549 39.549 39.837 -0.288 19079 1454 1 2 . 1 1 135 135 TYR H H 135 7.419 7.419 7.745 -0.326 19079 1455 1 2 . 1 1 136 136 ASN N N 136 119.088 119.088 116.578 2.510 19079 1456 1 2 . 1 1 136 136 ASN HA H 136 4.622 4.622 4.892 -0.270 19079 1457 1 2 . 1 1 136 136 ASN C C 136 175.650 175.650 175.057 0.593 19079 1458 1 2 . 1 1 136 136 ASN CA C 136 53.601 53.601 51.838 1.763 19079 1459 1 2 . 1 1 136 136 ASN CB C 136 38.741 38.741 40.549 -1.808 19079 1460 1 2 . 1 1 136 136 ASN H H 136 7.245 7.245 7.945 -0.700 19079 1461 1 2 . 1 1 137 137 ILE N N 137 126.031 126.031 121.248 4.783 19079 1462 1 2 . 1 1 137 137 ILE HA H 137 4.135 4.135 4.273 -0.138 19079 1463 1 2 . 1 1 137 137 ILE C C 137 175.636 175.636 176.314 -0.678 19079 1464 1 2 . 1 1 137 137 ILE CA C 137 61.215 61.215 60.403 0.812 19079 1465 1 2 . 1 1 137 137 ILE CB C 137 38.380 38.380 34.720 3.660 19079 1466 1 2 . 1 1 137 137 ILE H H 137 7.849 7.849 8.575 -0.726 19079 1467 1 2 . 1 1 138 138 LYS N N 138 125.271 125.271 124.600 0.671 19079 1468 1 2 . 1 1 138 138 LYS HA H 138 4.368 4.368 4.460 -0.092 19079 1469 1 2 . 1 1 138 138 LYS C C 138 176.110 176.110 176.272 -0.162 19079 1470 1 2 . 1 1 138 138 LYS CA C 138 55.906 55.906 58.627 -2.721 19079 1471 1 2 . 1 1 138 138 LYS CB C 138 33.564 33.564 32.541 1.023 19079 1472 1 2 . 1 1 138 138 LYS H H 138 8.171 8.171 8.059 0.112 19079 1473 1 2 . 1 1 139 139 ALA N N 139 124.226 124.226 120.033 4.193 19079 1474 1 2 . 1 1 139 139 ALA HA H 139 4.384 4.384 4.370 0.014 19079 1475 1 2 . 1 1 139 139 ALA C C 139 177.788 177.788 176.473 1.315 19079 1476 1 2 . 1 1 139 139 ALA CA C 139 52.522 52.522 52.272 0.250 19079 1477 1 2 . 1 1 139 139 ALA CB C 139 19.531 19.531 19.846 -0.316 19079 1478 1 2 . 1 1 139 139 ALA H H 139 8.207 8.207 8.218 -0.011 19079 1479 1 2 . 1 1 140 140 THR N N 140 112.869 112.869 112.409 0.460 19079 1480 1 2 . 1 1 140 140 THR HA H 140 4.390 4.390 4.643 -0.253 19079 1481 1 2 . 1 1 140 140 THR C C 140 174.522 174.522 175.155 -0.633 19079 1482 1 2 . 1 1 140 140 THR CA C 140 61.685 61.685 60.510 1.175 19079 1483 1 2 . 1 1 140 140 THR CB C 140 69.961 69.961 71.520 -1.559 19079 1484 1 2 . 1 1 140 140 THR H H 140 8.094 8.094 7.713 0.381 19079 1485 1 2 . 1 1 141 141 SER N N 141 118.138 118.138 115.822 2.316 19079 1486 1 2 . 1 1 141 141 SER HA H 141 4.500 4.500 4.423 0.077 19079 1487 1 2 . 1 1 141 141 SER C C 141 173.503 173.503 174.839 -1.336 19079 1488 1 2 . 1 1 141 141 SER CA C 141 58.315 58.315 58.576 -0.261 19079 1489 1 2 . 1 1 141 141 SER CB C 141 64.039 64.039 63.567 0.472 19079 1490 1 2 . 1 1 141 141 SER H H 141 8.209 8.209 8.456 -0.247 19079 1491 1 3 . 1 1 2 2 PRO HA H 2 4.360 4.360 4.939 -0.579 19079 1492 1 3 . 1 1 2 2 PRO C C 2 178.185 178.185 175.822 2.363 19079 1493 1 3 . 1 1 2 2 PRO CA C 2 65.722 65.722 62.764 2.958 19079 1494 1 3 . 1 1 2 2 PRO CB C 2 33.078 33.078 33.356 -0.278 19079 1495 1 3 . 1 1 3 3 SER N N 3 112.403 112.403 114.609 -2.206 19079 1496 1 3 . 1 1 3 3 SER HA H 3 3.136 3.136 4.712 -1.576 19079 1497 1 3 . 1 1 3 3 SER C C 3 172.101 172.101 172.621 -0.520 19079 1498 1 3 . 1 1 3 3 SER CA C 3 57.421 57.421 57.905 -0.484 19079 1499 1 3 . 1 1 3 3 SER CB C 3 62.812 62.812 64.442 -1.630 19079 1500 1 3 . 1 1 3 3 SER H H 3 8.494 8.494 8.515 -0.021 19079 1501 1 3 . 1 1 4 4 ASP N N 4 119.024 119.024 125.652 -6.628 19079 1502 1 3 . 1 1 4 4 ASP HA H 4 4.438 4.438 4.857 -0.419 19079 1503 1 3 . 1 1 4 4 ASP C C 4 177.371 177.371 174.744 2.627 19079 1504 1 3 . 1 1 4 4 ASP CA C 4 54.800 54.800 54.317 0.483 19079 1505 1 3 . 1 1 4 4 ASP CB C 4 41.495 41.495 43.117 -1.623 19079 1506 1 3 . 1 1 4 4 ASP H H 4 6.841 6.841 8.493 -1.652 19079 1507 1 3 . 1 1 5 5 LEU N N 5 129.426 129.426 123.940 5.486 19079 1508 1 3 . 1 1 5 5 LEU HA H 5 4.526 4.526 4.618 -0.092 19079 1509 1 3 . 1 1 5 5 LEU C C 5 176.246 176.246 175.328 0.918 19079 1510 1 3 . 1 1 5 5 LEU CA C 5 54.010 54.010 54.571 -0.561 19079 1511 1 3 . 1 1 5 5 LEU CB C 5 40.690 40.690 40.622 0.068 19079 1512 1 3 . 1 1 5 5 LEU H H 5 8.781 8.781 8.491 0.290 19079 1513 1 3 . 1 1 6 6 PHE HA H 6 4.842 4.842 4.865 -0.023 19079 1514 1 3 . 1 1 6 6 PHE C C 6 174.584 174.584 173.192 1.392 19079 1515 1 3 . 1 1 6 6 PHE CA C 6 56.782 56.782 56.940 -0.158 19079 1516 1 3 . 1 1 6 6 PHE CB C 6 39.576 39.576 39.984 -0.408 19079 1517 1 3 . 1 1 7 7 VAL N N 7 118.923 118.923 122.316 -3.393 19079 1518 1 3 . 1 1 7 7 VAL HA H 7 4.528 4.528 4.285 0.243 19079 1519 1 3 . 1 1 7 7 VAL C C 7 173.989 173.989 173.898 0.091 19079 1520 1 3 . 1 1 7 7 VAL CA C 7 61.571 61.571 61.184 0.387 19079 1521 1 3 . 1 1 7 7 VAL CB C 7 34.826 34.826 35.476 -0.650 19079 1522 1 3 . 1 1 7 7 VAL H H 7 8.586 8.586 8.349 0.237 19079 1523 1 3 . 1 1 8 8 HIS N N 8 132.990 132.990 122.402 10.588 19079 1524 1 3 . 1 1 8 8 HIS HA H 8 5.997 5.997 5.557 0.440 19079 1525 1 3 . 1 1 8 8 HIS C C 8 174.184 174.184 174.310 -0.126 19079 1526 1 3 . 1 1 8 8 HIS CA C 8 53.113 53.113 53.614 -0.500 19079 1527 1 3 . 1 1 8 8 HIS CB C 8 33.889 33.889 32.569 1.320 19079 1528 1 3 . 1 1 8 8 HIS H H 8 10.809 10.809 8.332 2.477 19079 1529 1 3 . 1 1 9 9 THR N N 9 118.112 118.112 115.894 2.218 19079 1530 1 3 . 1 1 9 9 THR HA H 9 5.343 5.343 4.760 0.583 19079 1531 1 3 . 1 1 9 9 THR C C 9 175.788 175.788 175.015 0.773 19079 1532 1 3 . 1 1 9 9 THR CA C 9 59.768 59.768 60.750 -0.982 19079 1533 1 3 . 1 1 9 9 THR CB C 9 70.673 70.673 70.994 -0.321 19079 1534 1 3 . 1 1 9 9 THR H H 9 9.512 9.512 8.819 0.693 19079 1535 1 3 . 1 1 10 10 GLU N N 10 117.927 117.927 125.559 -7.632 19079 1536 1 3 . 1 1 10 10 GLU HA H 10 4.096 4.096 3.811 0.285 19079 1537 1 3 . 1 1 10 10 GLU C C 10 176.321 176.321 176.324 -0.003 19079 1538 1 3 . 1 1 10 10 GLU CA C 10 59.900 59.900 59.502 0.398 19079 1539 1 3 . 1 1 10 10 GLU CB C 10 29.983 29.983 27.943 2.040 19079 1540 1 3 . 1 1 10 10 GLU H H 10 8.812 8.812 9.148 -0.336 19079 1541 1 3 . 1 1 11 11 GLN N N 11 110.877 110.877 120.020 -9.143 19079 1542 1 3 . 1 1 11 11 GLN HA H 11 4.621 4.621 4.722 -0.101 19079 1543 1 3 . 1 1 11 11 GLN C C 11 175.391 175.391 173.570 1.821 19079 1544 1 3 . 1 1 11 11 GLN CA C 11 56.071 56.071 55.135 0.937 19079 1545 1 3 . 1 1 11 11 GLN CB C 11 31.963 31.963 31.469 0.494 19079 1546 1 3 . 1 1 11 11 GLN H H 11 7.797 7.797 8.428 -0.631 19079 1547 1 3 . 1 1 12 12 ALA N N 12 122.143 122.143 122.993 -0.850 19079 1548 1 3 . 1 1 12 12 ALA HA H 12 5.049 5.049 5.267 -0.218 19079 1549 1 3 . 1 1 12 12 ALA C C 12 174.293 174.293 175.672 -1.379 19079 1550 1 3 . 1 1 12 12 ALA CA C 12 51.943 51.943 50.114 1.829 19079 1551 1 3 . 1 1 12 12 ALA CB C 12 23.177 23.177 21.477 1.700 19079 1552 1 3 . 1 1 12 12 ALA H H 12 7.814 7.814 8.208 -0.394 19079 1553 1 3 . 1 1 13 13 ILE N N 13 119.589 119.589 126.285 -6.696 19079 1554 1 3 . 1 1 13 13 ILE HA H 13 5.399 5.399 4.710 0.689 19079 1555 1 3 . 1 1 13 13 ILE C C 13 174.295 174.295 174.932 -0.637 19079 1556 1 3 . 1 1 13 13 ILE CA C 13 60.102 60.102 59.785 0.317 19079 1557 1 3 . 1 1 13 13 ILE CB C 13 41.080 41.080 38.588 2.492 19079 1558 1 3 . 1 1 13 13 ILE H H 13 9.206 9.206 8.342 0.864 19079 1559 1 3 . 1 1 14 14 TYR N N 14 127.337 127.337 128.990 -1.653 19079 1560 1 3 . 1 1 14 14 TYR HA H 14 4.853 4.853 5.269 -0.416 19079 1561 1 3 . 1 1 14 14 TYR C C 14 172.793 172.793 175.437 -2.644 19079 1562 1 3 . 1 1 14 14 TYR CA C 14 56.784 56.784 57.132 -0.347 19079 1563 1 3 . 1 1 14 14 TYR CB C 14 39.797 39.797 38.309 1.488 19079 1564 1 3 . 1 1 14 14 TYR H H 14 9.794 9.794 9.113 0.681 19079 1565 1 3 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.714 -0.342 19079 1566 1 3 . 1 1 15 15 LYS CA C 15 55.924 55.924 54.419 1.506 19079 1567 1 3 . 1 1 15 15 LYS CB C 15 33.563 33.563 37.178 -3.615 19079 1568 1 3 . 1 1 15 15 LYS H H 15 7.550 7.550 8.097 -0.547 19079 1569 1 3 . 1 1 16 16 ASN N N 16 107.943 107.943 120.662 -12.719 19079 1570 1 3 . 1 1 16 16 ASN HA H 16 5.098 5.098 4.658 0.440 19079 1571 1 3 . 1 1 16 16 ASN C C 16 176.475 176.475 176.740 -0.265 19079 1572 1 3 . 1 1 16 16 ASN CA C 16 54.072 54.072 53.381 0.691 19079 1573 1 3 . 1 1 16 16 ASN CB C 16 38.619 38.619 38.446 0.173 19079 1574 1 3 . 1 1 16 16 ASN H H 16 8.156 8.156 8.879 -0.723 19079 1575 1 3 . 1 1 17 17 ALA N N 17 127.319 127.319 128.659 -1.340 19079 1576 1 3 . 1 1 17 17 ALA HA H 17 3.608 3.608 4.309 -0.701 19079 1577 1 3 . 1 1 17 17 ALA C C 17 180.081 180.081 177.661 2.420 19079 1578 1 3 . 1 1 17 17 ALA CA C 17 54.282 54.282 54.807 -0.525 19079 1579 1 3 . 1 1 17 17 ALA CB C 17 17.646 17.646 18.923 -1.277 19079 1580 1 3 . 1 1 17 17 ALA H H 17 7.573 7.573 8.620 -1.047 19079 1581 1 3 . 1 1 18 18 HIS N N 18 108.625 108.625 111.384 -2.759 19079 1582 1 3 . 1 1 18 18 HIS HA H 18 4.504 4.504 4.287 0.217 19079 1583 1 3 . 1 1 18 18 HIS C C 18 174.182 174.182 175.417 -1.235 19079 1584 1 3 . 1 1 18 18 HIS CA C 18 57.782 57.782 56.583 1.200 19079 1585 1 3 . 1 1 18 18 HIS CB C 18 26.798 26.798 28.859 -2.061 19079 1586 1 3 . 1 1 18 18 HIS H H 18 8.118 8.118 7.868 0.250 19079 1587 1 3 . 1 1 19 19 LEU N N 19 117.682 117.682 120.305 -2.623 19079 1588 1 3 . 1 1 19 19 LEU HA H 19 4.444 4.444 4.610 -0.166 19079 1589 1 3 . 1 1 19 19 LEU C C 19 175.795 175.795 176.447 -0.652 19079 1590 1 3 . 1 1 19 19 LEU CA C 19 53.309 53.309 54.799 -1.490 19079 1591 1 3 . 1 1 19 19 LEU CB C 19 42.366 42.366 43.384 -1.018 19079 1592 1 3 . 1 1 19 19 LEU H H 19 6.677 6.677 7.606 -0.929 19079 1593 1 3 . 1 1 20 20 THR N N 20 116.187 116.187 110.274 5.913 19079 1594 1 3 . 1 1 20 20 THR HA H 20 4.700 4.700 4.341 0.359 19079 1595 1 3 . 1 1 20 20 THR C C 20 171.105 171.105 175.166 -4.061 19079 1596 1 3 . 1 1 20 20 THR CA C 20 58.570 58.570 62.591 -4.021 19079 1597 1 3 . 1 1 20 20 THR CB C 20 69.724 69.724 70.694 -0.970 19079 1598 1 3 . 1 1 20 20 THR H H 20 7.399 7.399 7.372 0.027 19079 1599 1 3 . 1 1 21 21 THR N N 21 114.194 114.194 120.554 -6.360 19079 1600 1 3 . 1 1 21 21 THR HA H 21 5.124 5.124 4.072 1.052 19079 1601 1 3 . 1 1 21 21 THR CA C 21 58.991 58.991 62.417 -3.426 19079 1602 1 3 . 1 1 21 21 THR CB C 21 71.564 71.564 68.576 2.988 19079 1603 1 3 . 1 1 21 21 THR H H 21 8.410 8.410 8.046 0.364 19079 1604 1 3 . 1 1 22 22 PRO HA H 22 4.432 4.432 4.454 -0.022 19079 1605 1 3 . 1 1 22 22 PRO C C 22 175.895 175.895 176.657 -0.762 19079 1606 1 3 . 1 1 22 22 PRO CA C 22 63.390 63.390 62.536 0.854 19079 1607 1 3 . 1 1 22 22 PRO CB C 22 32.203 32.203 32.379 -0.176 19079 1608 1 3 . 1 1 23 23 ASN N N 23 119.233 119.233 117.403 1.830 19079 1609 1 3 . 1 1 23 23 ASN HA H 23 5.032 5.032 4.564 0.468 19079 1610 1 3 . 1 1 23 23 ASN C C 23 175.963 175.963 175.735 0.228 19079 1611 1 3 . 1 1 23 23 ASN CA C 23 52.452 52.452 53.449 -0.997 19079 1612 1 3 . 1 1 23 23 ASN CB C 23 41.420 41.420 38.697 2.723 19079 1613 1 3 . 1 1 23 23 ASN H H 23 9.227 9.227 8.514 0.713 19079 1614 1 3 . 1 1 24 24 ASP N N 24 119.074 119.074 118.930 0.144 19079 1615 1 3 . 1 1 24 24 ASP HA H 24 4.417 4.417 4.658 -0.241 19079 1616 1 3 . 1 1 24 24 ASP C C 24 176.983 176.983 176.508 0.475 19079 1617 1 3 . 1 1 24 24 ASP CA C 24 56.942 56.942 54.826 2.116 19079 1618 1 3 . 1 1 24 24 ASP CB C 24 40.266 40.266 40.432 -0.166 19079 1619 1 3 . 1 1 24 24 ASP H H 24 8.649 8.649 8.689 -0.040 19079 1620 1 3 . 1 1 25 25 GLN N N 25 116.580 116.580 118.080 -1.500 19079 1621 1 3 . 1 1 25 25 GLN HA H 25 4.425 4.425 4.435 -0.010 19079 1622 1 3 . 1 1 25 25 GLN C C 25 177.373 177.373 176.263 1.110 19079 1623 1 3 . 1 1 25 25 GLN CA C 25 55.419 55.419 56.255 -0.836 19079 1624 1 3 . 1 1 25 25 GLN CB C 25 28.933 28.933 29.548 -0.615 19079 1625 1 3 . 1 1 25 25 GLN H H 25 9.028 9.028 8.115 0.913 19079 1626 1 3 . 1 1 26 26 THR N N 26 122.196 122.196 113.935 8.261 19079 1627 1 3 . 1 1 26 26 THR HA H 26 4.779 4.779 4.225 0.554 19079 1628 1 3 . 1 1 26 26 THR C C 26 174.583 174.583 175.234 -0.651 19079 1629 1 3 . 1 1 26 26 THR CA C 26 65.218 65.218 63.179 2.038 19079 1630 1 3 . 1 1 26 26 THR CB C 26 68.963 68.963 68.945 0.018 19079 1631 1 3 . 1 1 26 26 THR H H 26 7.692 7.692 7.678 0.014 19079 1632 1 3 . 1 1 27 27 ILE N N 27 129.367 129.367 125.630 3.737 19079 1633 1 3 . 1 1 27 27 ILE HA H 27 4.112 4.112 3.791 0.321 19079 1634 1 3 . 1 1 27 27 ILE C C 27 175.734 175.734 176.563 -0.829 19079 1635 1 3 . 1 1 27 27 ILE CA C 27 62.558 62.558 64.485 -1.927 19079 1636 1 3 . 1 1 27 27 ILE CB C 27 40.357 40.357 38.508 1.849 19079 1637 1 3 . 1 1 27 27 ILE H H 27 9.785 9.785 8.107 1.678 19079 1638 1 3 . 1 1 28 28 LEU N N 28 120.773 120.773 119.088 1.685 19079 1639 1 3 . 1 1 28 28 LEU HA H 28 4.506 4.506 4.634 -0.128 19079 1640 1 3 . 1 1 28 28 LEU C C 28 173.083 173.083 175.141 -2.058 19079 1641 1 3 . 1 1 28 28 LEU CA C 28 55.337 55.337 54.113 1.224 19079 1642 1 3 . 1 1 28 28 LEU CB C 28 45.942 45.942 44.244 1.698 19079 1643 1 3 . 1 1 28 28 LEU H H 28 7.814 7.814 7.434 0.380 19079 1644 1 3 . 1 1 29 29 LEU N N 29 128.285 128.285 126.482 1.803 19079 1645 1 3 . 1 1 29 29 LEU HA H 29 4.798 4.798 4.415 0.383 19079 1646 1 3 . 1 1 29 29 LEU C C 29 174.589 174.589 176.911 -2.322 19079 1647 1 3 . 1 1 29 29 LEU CA C 29 54.133 54.133 54.991 -0.858 19079 1648 1 3 . 1 1 29 29 LEU CB C 29 43.909 43.909 43.251 0.658 19079 1649 1 3 . 1 1 29 29 LEU H H 29 8.653 8.653 8.584 0.069 19079 1650 1 3 . 1 1 30 30 ALA N N 30 132.532 132.532 128.568 3.964 19079 1651 1 3 . 1 1 30 30 ALA HA H 30 4.995 4.995 4.803 0.192 19079 1652 1 3 . 1 1 30 30 ALA C C 30 177.994 177.994 177.049 0.945 19079 1653 1 3 . 1 1 30 30 ALA CA C 30 49.621 49.621 50.868 -1.247 19079 1654 1 3 . 1 1 30 30 ALA CB C 30 18.022 18.022 19.017 -0.995 19079 1655 1 3 . 1 1 30 30 ALA H H 30 9.179 9.179 9.117 0.062 19079 1656 1 3 . 1 1 31 31 LEU N N 31 126.651 126.651 121.446 5.205 19079 1657 1 3 . 1 1 31 31 LEU HA H 31 4.619 4.619 4.175 0.444 19079 1658 1 3 . 1 1 31 31 LEU CA C 31 59.032 59.032 57.205 1.827 19079 1659 1 3 . 1 1 31 31 LEU CB C 31 41.356 41.356 41.111 0.245 19079 1660 1 3 . 1 1 31 31 LEU H H 31 8.828 8.828 8.574 0.254 19079 1661 1 3 . 1 1 32 32 THR HA H 32 4.283 4.283 3.695 0.588 19079 1662 1 3 . 1 1 32 32 THR C C 32 173.341 173.341 174.891 -1.550 19079 1663 1 3 . 1 1 32 32 THR CA C 32 63.443 63.443 64.733 -1.290 19079 1664 1 3 . 1 1 32 32 THR CB C 32 68.639 68.639 68.649 -0.010 19079 1665 1 3 . 1 1 32 32 THR H H 32 8.105 8.105 8.338 -0.233 19079 1666 1 3 . 1 1 33 33 ALA N N 33 122.960 122.960 120.888 2.072 19079 1667 1 3 . 1 1 33 33 ALA HA H 33 5.301 5.301 4.535 0.766 19079 1668 1 3 . 1 1 33 33 ALA C C 33 175.467 175.467 175.330 0.137 19079 1669 1 3 . 1 1 33 33 ALA CA C 33 50.782 50.782 50.544 0.238 19079 1670 1 3 . 1 1 33 33 ALA CB C 33 20.256 20.256 20.898 -0.642 19079 1671 1 3 . 1 1 33 33 ALA H H 33 7.328 7.328 7.420 -0.092 19079 1672 1 3 . 1 1 34 34 ASP N N 34 115.713 115.713 117.409 -1.696 19079 1673 1 3 . 1 1 34 34 ASP HA H 34 4.194 4.194 4.498 -0.304 19079 1674 1 3 . 1 1 34 34 ASP C C 34 175.750 175.750 174.264 1.486 19079 1675 1 3 . 1 1 34 34 ASP CA C 34 55.269 55.269 55.361 -0.092 19079 1676 1 3 . 1 1 34 34 ASP CB C 34 40.525 40.525 39.156 1.369 19079 1677 1 3 . 1 1 34 34 ASP H H 34 7.927 7.927 7.955 -0.028 19079 1678 1 3 . 1 1 35 35 LEU N N 35 119.485 119.485 120.227 -0.742 19079 1679 1 3 . 1 1 35 35 LEU HA H 35 5.102 5.102 4.931 0.171 19079 1680 1 3 . 1 1 35 35 LEU C C 35 173.060 173.060 174.258 -1.198 19079 1681 1 3 . 1 1 35 35 LEU CA C 35 54.268 54.268 54.575 -0.306 19079 1682 1 3 . 1 1 35 35 LEU CB C 35 47.326 47.326 47.082 0.244 19079 1683 1 3 . 1 1 35 35 LEU H H 35 7.820 7.820 7.978 -0.158 19079 1684 1 3 . 1 1 36 36 GLN N N 36 127.748 127.748 118.761 8.987 19079 1685 1 3 . 1 1 36 36 GLN HA H 36 4.790 4.790 4.841 -0.051 19079 1686 1 3 . 1 1 36 36 GLN C C 36 173.161 173.161 174.276 -1.115 19079 1687 1 3 . 1 1 36 36 GLN CA C 36 55.286 55.286 54.236 1.050 19079 1688 1 3 . 1 1 36 36 GLN CB C 36 32.594 32.594 33.374 -0.780 19079 1689 1 3 . 1 1 36 36 GLN H H 36 9.050 9.050 8.498 0.552 19079 1690 1 3 . 1 1 37 37 ILE N N 37 125.606 125.606 121.901 3.705 19079 1691 1 3 . 1 1 37 37 ILE HA H 37 4.807 4.807 4.679 0.128 19079 1692 1 3 . 1 1 37 37 ILE C C 37 174.921 174.921 174.245 0.676 19079 1693 1 3 . 1 1 37 37 ILE CA C 37 59.869 59.869 60.041 -0.172 19079 1694 1 3 . 1 1 37 37 ILE CB C 37 39.750 39.750 39.992 -0.242 19079 1695 1 3 . 1 1 37 37 ILE H H 37 8.828 8.828 8.219 0.609 19079 1696 1 3 . 1 1 38 38 ASP N N 38 128.163 128.163 126.348 1.815 19079 1697 1 3 . 1 1 38 38 ASP HA H 38 5.259 5.259 4.953 0.306 19079 1698 1 3 . 1 1 38 38 ASP C C 38 176.122 176.122 175.294 0.828 19079 1699 1 3 . 1 1 38 38 ASP CA C 38 52.316 52.316 51.403 0.913 19079 1700 1 3 . 1 1 38 38 ASP CB C 38 43.251 43.251 44.561 -1.310 19079 1701 1 3 . 1 1 38 38 ASP H H 38 9.226 9.226 8.038 1.188 19079 1702 1 3 . 1 1 39 39 GLY N N 39 107.273 107.273 106.780 0.493 19079 1703 1 3 . 1 1 39 39 GLY C C 39 171.808 171.808 173.249 -1.441 19079 1704 1 3 . 1 1 39 39 GLY CA C 39 45.108 45.108 43.974 1.134 19079 1705 1 3 . 1 1 39 39 GLY H H 39 8.682 8.682 8.468 0.214 19079 1706 1 3 . 1 1 40 40 CYS N N 40 114.602 114.602 118.479 -3.877 19079 1707 1 3 . 1 1 40 40 CYS HA H 40 4.832 4.832 4.638 0.194 19079 1708 1 3 . 1 1 40 40 CYS CA C 40 55.517 55.517 57.794 -2.277 19079 1709 1 3 . 1 1 40 40 CYS CB C 40 30.872 30.872 30.404 0.468 19079 1710 1 3 . 1 1 40 40 CYS H H 40 7.784 7.784 8.423 -0.639 19079 1711 1 3 . 1 1 41 41 ASP N N 41 121.388 121.388 120.026 1.362 19079 1712 1 3 . 1 1 41 41 ASP HA H 41 4.618 4.618 4.597 0.021 19079 1713 1 3 . 1 1 41 41 ASP CA C 41 54.808 54.808 54.640 0.168 19079 1714 1 3 . 1 1 41 41 ASP CB C 41 41.299 41.299 40.467 0.832 19079 1715 1 3 . 1 1 41 41 ASP H H 41 8.496 8.496 8.624 -0.128 19079 1716 1 3 . 1 1 42 42 GLN N N 42 118.506 118.506 119.493 -0.987 19079 1717 1 3 . 1 1 42 42 GLN HA H 42 4.900 4.900 4.637 0.263 19079 1718 1 3 . 1 1 42 42 GLN CA C 42 52.529 52.529 52.249 0.280 19079 1719 1 3 . 1 1 42 42 GLN CB C 42 30.580 30.580 28.800 1.780 19079 1720 1 3 . 1 1 42 42 GLN H H 42 7.592 7.592 7.744 -0.152 19079 1721 1 3 . 1 1 43 43 PRO HA H 43 4.438 4.438 4.577 -0.139 19079 1722 1 3 . 1 1 43 43 PRO CA C 43 63.283 63.283 62.862 0.421 19079 1723 1 3 . 1 1 43 43 PRO CB C 43 32.178 32.178 32.576 -0.398 19079 1724 1 3 . 1 1 44 44 GLY N N 44 109.062 109.062 107.725 1.337 19079 1725 1 3 . 1 1 44 44 GLY CA C 44 45.265 45.265 43.778 1.487 19079 1726 1 3 . 1 1 44 44 GLY H H 44 8.249 8.249 8.171 0.078 19079 1727 1 3 . 1 1 45 45 PRO HA H 45 4.535 4.535 4.342 0.193 19079 1728 1 3 . 1 1 45 45 PRO CA C 45 63.511 63.511 63.510 0.002 19079 1729 1 3 . 1 1 45 45 PRO CB C 45 33.193 33.193 32.004 1.189 19079 1730 1 3 . 1 1 46 46 ASP N N 46 121.254 121.254 121.576 -0.322 19079 1731 1 3 . 1 1 46 46 ASP HA H 46 4.784 4.784 4.319 0.465 19079 1732 1 3 . 1 1 46 46 ASP C C 46 174.555 174.555 174.933 -0.378 19079 1733 1 3 . 1 1 46 46 ASP CA C 46 55.268 55.268 55.437 -0.169 19079 1734 1 3 . 1 1 46 46 ASP CB C 46 43.360 43.360 40.398 2.962 19079 1735 1 3 . 1 1 46 46 ASP H H 46 8.533 8.533 8.315 0.218 19079 1736 1 3 . 1 1 47 47 ASN N N 47 118.452 118.452 121.499 -3.047 19079 1737 1 3 . 1 1 47 47 ASN HA H 47 4.912 4.912 4.826 0.086 19079 1738 1 3 . 1 1 47 47 ASN C C 47 172.394 172.394 174.297 -1.903 19079 1739 1 3 . 1 1 47 47 ASN CA C 47 52.877 52.877 52.262 0.615 19079 1740 1 3 . 1 1 47 47 ASN CB C 47 42.185 42.185 40.505 1.680 19079 1741 1 3 . 1 1 47 47 ASN H H 47 8.668 8.668 8.161 0.507 19079 1742 1 3 . 1 1 48 48 ILE N N 48 126.910 126.910 125.467 1.443 19079 1743 1 3 . 1 1 48 48 ILE HA H 48 5.269 5.269 3.965 1.304 19079 1744 1 3 . 1 1 48 48 ILE CA C 48 57.457 57.457 61.131 -3.674 19079 1745 1 3 . 1 1 48 48 ILE CB C 48 39.411 39.411 37.477 1.934 19079 1746 1 3 . 1 1 48 48 ILE H H 48 8.377 8.377 8.294 0.083 19079 1747 1 3 . 1 1 49 49 PRO HA H 49 4.571 4.571 4.461 0.110 19079 1748 1 3 . 1 1 49 49 PRO CA C 49 62.019 62.019 62.526 -0.507 19079 1749 1 3 . 1 1 49 49 PRO CB C 49 34.068 34.068 32.605 1.462 19079 1750 1 3 . 1 1 50 50 ASP N N 50 117.512 117.512 116.831 0.681 19079 1751 1 3 . 1 1 50 50 ASP HA H 50 4.847 4.847 4.878 -0.031 19079 1752 1 3 . 1 1 50 50 ASP C C 50 175.105 175.105 175.421 -0.316 19079 1753 1 3 . 1 1 50 50 ASP CA C 50 52.186 52.186 53.647 -1.460 19079 1754 1 3 . 1 1 50 50 ASP CB C 50 40.206 40.206 40.879 -0.673 19079 1755 1 3 . 1 1 50 50 ASP H H 50 7.928 7.928 8.563 -0.635 19079 1756 1 3 . 1 1 51 51 CYS N N 51 117.841 117.841 118.646 -0.805 19079 1757 1 3 . 1 1 51 51 CYS HA H 51 4.645 4.645 4.839 -0.194 19079 1758 1 3 . 1 1 51 51 CYS C C 51 173.952 173.952 173.258 0.694 19079 1759 1 3 . 1 1 51 51 CYS CA C 51 57.079 57.079 57.821 -0.742 19079 1760 1 3 . 1 1 51 51 CYS CB C 51 31.834 31.834 30.027 1.807 19079 1761 1 3 . 1 1 51 51 CYS H H 51 6.998 6.998 7.877 -0.879 19079 1762 1 3 . 1 1 52 52 ASP N N 52 113.831 113.831 124.245 -10.414 19079 1763 1 3 . 1 1 52 52 ASP HA H 52 4.790 4.790 4.730 0.060 19079 1764 1 3 . 1 1 52 52 ASP C C 52 177.522 177.522 175.500 2.022 19079 1765 1 3 . 1 1 52 52 ASP CA C 52 52.266 52.266 52.241 0.025 19079 1766 1 3 . 1 1 52 52 ASP CB C 52 41.108 41.108 38.835 2.273 19079 1767 1 3 . 1 1 52 52 ASP H H 52 7.839 7.839 8.492 -0.653 19079 1768 1 3 . 1 1 53 53 CYS N N 53 120.924 120.924 119.913 1.011 19079 1769 1 3 . 1 1 53 53 CYS HA H 53 4.176 4.176 4.253 -0.077 19079 1770 1 3 . 1 1 53 53 CYS C C 53 177.320 177.320 176.265 1.055 19079 1771 1 3 . 1 1 53 53 CYS CA C 53 62.456 62.456 59.652 2.804 19079 1772 1 3 . 1 1 53 53 CYS CB C 53 31.077 31.077 27.679 3.398 19079 1773 1 3 . 1 1 53 53 CYS H H 53 8.180 8.180 8.443 -0.263 19079 1774 1 3 . 1 1 54 54 THR N N 54 108.381 108.381 111.961 -3.580 19079 1775 1 3 . 1 1 54 54 THR HA H 54 4.168 4.168 4.277 -0.109 19079 1776 1 3 . 1 1 54 54 THR C C 54 172.044 172.044 174.585 -2.541 19079 1777 1 3 . 1 1 54 54 THR CA C 54 60.645 60.645 62.990 -2.345 19079 1778 1 3 . 1 1 54 54 THR CB C 54 69.425 69.425 69.603 -0.178 19079 1779 1 3 . 1 1 54 54 THR H H 54 8.728 8.728 8.122 0.606 19079 1780 1 3 . 1 1 55 55 SER N N 55 114.465 114.465 120.601 -6.136 19079 1781 1 3 . 1 1 55 55 SER HA H 55 4.906 4.906 4.525 0.381 19079 1782 1 3 . 1 1 55 55 SER C C 55 172.897 172.897 174.325 -1.428 19079 1783 1 3 . 1 1 55 55 SER CA C 55 56.279 56.279 58.721 -2.442 19079 1784 1 3 . 1 1 55 55 SER CB C 55 66.156 66.156 62.461 3.695 19079 1785 1 3 . 1 1 55 55 SER H H 55 7.433 7.433 8.041 -0.608 19079 1786 1 3 . 1 1 56 56 GLY N N 56 106.492 106.492 112.620 -6.128 19079 1787 1 3 . 1 1 56 56 GLY C C 56 172.400 172.400 172.389 0.011 19079 1788 1 3 . 1 1 56 56 GLY CA C 56 46.778 46.778 44.216 2.562 19079 1789 1 3 . 1 1 56 56 GLY H H 56 8.431 8.431 8.416 0.015 19079 1790 1 3 . 1 1 57 57 CYS N N 57 123.907 123.907 117.439 6.468 19079 1791 1 3 . 1 1 57 57 CYS HA H 57 5.755 5.755 5.702 0.053 19079 1792 1 3 . 1 1 57 57 CYS C C 57 171.012 171.012 173.080 -2.068 19079 1793 1 3 . 1 1 57 57 CYS CA C 57 54.317 54.317 56.683 -2.366 19079 1794 1 3 . 1 1 57 57 CYS CB C 57 32.040 32.040 30.531 1.509 19079 1795 1 3 . 1 1 57 57 CYS H H 57 9.782 9.782 8.733 1.049 19079 1796 1 3 . 1 1 58 58 TYR N N 58 121.251 121.251 122.124 -0.873 19079 1797 1 3 . 1 1 58 58 TYR HA H 58 6.413 6.413 5.694 0.719 19079 1798 1 3 . 1 1 58 58 TYR C C 58 172.177 172.177 173.569 -1.392 19079 1799 1 3 . 1 1 58 58 TYR CA C 58 54.179 54.179 54.410 -0.231 19079 1800 1 3 . 1 1 58 58 TYR CB C 58 44.751 44.751 41.862 2.889 19079 1801 1 3 . 1 1 58 58 TYR H H 58 9.324 9.324 8.884 0.440 19079 1802 1 3 . 1 1 59 59 TYR N N 59 119.921 119.921 125.902 -5.981 19079 1803 1 3 . 1 1 59 59 TYR HA H 59 3.155 3.155 3.553 -0.398 19079 1804 1 3 . 1 1 59 59 TYR C C 59 173.490 173.490 174.315 -0.825 19079 1805 1 3 . 1 1 59 59 TYR CA C 59 56.439 56.439 57.463 -1.024 19079 1806 1 3 . 1 1 59 59 TYR CB C 59 38.280 38.280 37.627 0.653 19079 1807 1 3 . 1 1 59 59 TYR H H 59 7.851 7.851 7.734 0.117 19079 1808 1 3 . 1 1 60 60 SER N N 60 122.333 122.333 122.972 -0.639 19079 1809 1 3 . 1 1 60 60 SER HA H 60 4.286 4.286 4.173 0.113 19079 1810 1 3 . 1 1 60 60 SER C C 60 174.282 174.282 174.954 -0.672 19079 1811 1 3 . 1 1 60 60 SER CA C 60 54.201 54.201 57.012 -2.811 19079 1812 1 3 . 1 1 60 60 SER CB C 60 63.429 63.429 63.470 -0.041 19079 1813 1 3 . 1 1 60 60 SER H H 60 7.184 7.184 8.042 -0.858 19079 1814 1 3 . 1 1 61 61 ARG N N 61 131.876 131.876 129.088 2.788 19079 1815 1 3 . 1 1 61 61 ARG HA H 61 3.755 3.755 4.148 -0.393 19079 1816 1 3 . 1 1 61 61 ARG C C 61 179.454 179.454 177.529 1.925 19079 1817 1 3 . 1 1 61 61 ARG CA C 61 58.733 58.733 58.644 0.089 19079 1818 1 3 . 1 1 61 61 ARG CB C 61 29.216 29.216 30.021 -0.805 19079 1819 1 3 . 1 1 61 61 ARG H H 61 9.058 9.058 8.815 0.243 19079 1820 1 3 . 1 1 62 62 SER N N 62 115.806 115.806 113.535 2.271 19079 1821 1 3 . 1 1 62 62 SER HA H 62 4.021 4.021 4.354 -0.333 19079 1822 1 3 . 1 1 62 62 SER C C 62 177.405 177.405 175.016 2.389 19079 1823 1 3 . 1 1 62 62 SER CA C 62 60.787 60.787 60.574 0.213 19079 1824 1 3 . 1 1 62 62 SER CB C 62 60.994 60.994 63.269 -2.275 19079 1825 1 3 . 1 1 62 62 SER H H 62 8.933 8.933 8.407 0.526 19079 1826 1 3 . 1 1 63 63 LEU N N 63 120.142 120.142 119.433 0.709 19079 1827 1 3 . 1 1 63 63 LEU HA H 63 4.315 4.315 4.522 -0.207 19079 1828 1 3 . 1 1 63 63 LEU C C 63 175.462 175.462 176.286 -0.824 19079 1829 1 3 . 1 1 63 63 LEU CA C 63 54.589 54.589 53.786 0.803 19079 1830 1 3 . 1 1 63 63 LEU CB C 63 41.583 41.583 42.365 -0.782 19079 1831 1 3 . 1 1 63 63 LEU H H 63 7.372 7.372 7.084 0.288 19079 1832 1 3 . 1 1 64 64 ASP N N 64 124.723 124.723 118.824 5.899 19079 1833 1 3 . 1 1 64 64 ASP HA H 64 4.308 4.308 4.149 0.159 19079 1834 1 3 . 1 1 64 64 ASP C C 64 174.405 174.405 174.525 -0.120 19079 1835 1 3 . 1 1 64 64 ASP CA C 64 54.269 54.269 55.169 -0.900 19079 1836 1 3 . 1 1 64 64 ASP CB C 64 39.892 39.892 40.077 -0.185 19079 1837 1 3 . 1 1 64 64 ASP H H 64 8.122 8.122 7.664 0.458 19079 1838 1 3 . 1 1 65 65 ARG N N 65 111.932 111.932 113.262 -1.330 19079 1839 1 3 . 1 1 65 65 ARG HA H 65 4.648 4.648 4.220 0.428 19079 1840 1 3 . 1 1 65 65 ARG C C 65 172.842 172.842 173.849 -1.007 19079 1841 1 3 . 1 1 65 65 ARG CA C 65 54.327 54.327 54.582 -0.255 19079 1842 1 3 . 1 1 65 65 ARG CB C 65 33.013 33.013 31.492 1.521 19079 1843 1 3 . 1 1 65 65 ARG H H 65 7.434 7.434 7.551 -0.117 19079 1844 1 3 . 1 1 66 66 TYR N N 66 121.286 121.286 121.891 -0.605 19079 1845 1 3 . 1 1 66 66 TYR HA H 66 4.821 4.821 4.649 0.172 19079 1846 1 3 . 1 1 66 66 TYR C C 66 176.123 176.123 176.343 -0.220 19079 1847 1 3 . 1 1 66 66 TYR CA C 66 56.752 56.752 59.249 -2.497 19079 1848 1 3 . 1 1 66 66 TYR CB C 66 41.877 41.877 39.223 2.654 19079 1849 1 3 . 1 1 66 66 TYR H H 66 8.068 8.068 8.543 -0.475 19079 1850 1 3 . 1 1 67 67 ILE N N 67 119.080 119.080 119.553 -0.473 19079 1851 1 3 . 1 1 67 67 ILE HA H 67 4.620 4.620 4.801 -0.180 19079 1852 1 3 . 1 1 67 67 ILE CA C 67 57.840 57.840 57.176 0.664 19079 1853 1 3 . 1 1 67 67 ILE CB C 67 41.191 41.191 41.535 -0.344 19079 1854 1 3 . 1 1 67 67 ILE H H 67 8.640 8.640 8.598 0.042 19079 1855 1 3 . 1 1 68 68 PRO HA H 68 4.772 4.772 4.965 -0.193 19079 1856 1 3 . 1 1 68 68 PRO CA C 68 62.709 62.709 62.706 0.003 19079 1857 1 3 . 1 1 68 68 PRO CB C 68 32.923 32.923 31.263 1.660 19079 1858 1 3 . 1 1 69 69 VAL N N 69 120.668 120.668 117.076 3.592 19079 1859 1 3 . 1 1 69 69 VAL HA H 69 4.764 4.764 4.562 0.202 19079 1860 1 3 . 1 1 69 69 VAL C C 69 171.299 171.299 173.725 -2.426 19079 1861 1 3 . 1 1 69 69 VAL CA C 69 60.758 60.758 59.268 1.490 19079 1862 1 3 . 1 1 69 69 VAL CB C 69 36.158 36.158 35.886 0.272 19079 1863 1 3 . 1 1 69 69 VAL H H 69 8.866 8.866 8.737 0.129 19079 1864 1 3 . 1 1 70 70 GLU N N 70 127.352 127.352 120.978 6.374 19079 1865 1 3 . 1 1 70 70 GLU HA H 70 4.694 4.694 4.564 0.130 19079 1866 1 3 . 1 1 70 70 GLU C C 70 176.084 176.084 175.202 0.882 19079 1867 1 3 . 1 1 70 70 GLU CA C 70 55.438 55.438 54.911 0.527 19079 1868 1 3 . 1 1 70 70 GLU CB C 70 31.941 31.941 31.766 0.175 19079 1869 1 3 . 1 1 70 70 GLU H H 70 8.303 8.303 8.542 -0.239 19079 1870 1 3 . 1 1 71 71 CYS N N 71 118.985 118.985 123.680 -4.695 19079 1871 1 3 . 1 1 71 71 CYS HA H 71 5.283 5.283 4.912 0.371 19079 1872 1 3 . 1 1 71 71 CYS C C 71 173.987 173.987 174.124 -0.137 19079 1873 1 3 . 1 1 71 71 CYS CA C 71 56.927 56.927 57.273 -0.346 19079 1874 1 3 . 1 1 71 71 CYS CB C 71 32.056 32.056 31.921 0.135 19079 1875 1 3 . 1 1 71 71 CYS H H 71 8.044 8.044 8.078 -0.034 19079 1876 1 3 . 1 1 72 72 GLU N N 72 119.188 119.188 120.112 -0.924 19079 1877 1 3 . 1 1 72 72 GLU HA H 72 4.550 4.550 4.496 0.054 19079 1878 1 3 . 1 1 72 72 GLU C C 72 175.540 175.540 175.117 0.423 19079 1879 1 3 . 1 1 72 72 GLU CA C 72 54.422 54.422 54.595 -0.173 19079 1880 1 3 . 1 1 72 72 GLU CB C 72 32.723 32.723 30.326 2.397 19079 1881 1 3 . 1 1 72 72 GLU H H 72 8.651 8.651 8.877 -0.226 19079 1882 1 3 . 1 1 73 73 ALA N N 73 128.127 128.127 128.602 -0.475 19079 1883 1 3 . 1 1 73 73 ALA HA H 73 4.894 4.894 4.431 0.463 19079 1884 1 3 . 1 1 73 73 ALA C C 73 177.065 177.065 176.643 0.422 19079 1885 1 3 . 1 1 73 73 ALA CA C 73 51.934 51.934 51.938 -0.004 19079 1886 1 3 . 1 1 73 73 ALA CB C 73 19.744 19.744 18.742 1.002 19079 1887 1 3 . 1 1 73 73 ALA H H 73 8.825 8.825 8.725 0.100 19079 1888 1 3 . 1 1 74 74 HIS N N 74 120.049 120.049 125.627 -5.578 19079 1889 1 3 . 1 1 74 74 HIS HA H 74 4.730 4.730 4.650 0.080 19079 1890 1 3 . 1 1 74 74 HIS C C 74 173.973 173.973 175.594 -1.621 19079 1891 1 3 . 1 1 74 74 HIS CA C 74 54.940 54.940 55.607 -0.667 19079 1892 1 3 . 1 1 74 74 HIS CB C 74 32.641 32.641 32.086 0.555 19079 1893 1 3 . 1 1 74 74 HIS H H 74 8.813 8.813 8.836 -0.023 19079 1894 1 3 . 1 1 75 75 ASP N N 75 125.469 125.469 125.681 -0.212 19079 1895 1 3 . 1 1 75 75 ASP HA H 75 4.619 4.619 4.513 0.106 19079 1896 1 3 . 1 1 75 75 ASP CA C 75 57.576 57.576 57.248 0.328 19079 1897 1 3 . 1 1 75 75 ASP CB C 75 42.215 42.215 41.615 0.600 19079 1898 1 3 . 1 1 75 75 ASP H H 75 8.951 8.951 9.137 -0.186 19079 1899 1 3 . 1 1 76 76 TRP N N 76 113.768 113.768 114.559 -0.791 19079 1900 1 3 . 1 1 76 76 TRP HA H 76 5.455 5.455 4.940 0.515 19079 1901 1 3 . 1 1 76 76 TRP CA C 76 54.833 54.833 55.078 -0.245 19079 1902 1 3 . 1 1 76 76 TRP CB C 76 31.701 31.701 30.543 1.158 19079 1903 1 3 . 1 1 76 76 TRP H H 76 7.574 7.574 7.498 0.076 19079 1904 1 3 . 1 1 77 77 TYR N N 77 122.650 122.650 118.845 3.805 19079 1905 1 3 . 1 1 77 77 TYR CA C 77 57.248 57.248 56.808 0.440 19079 1906 1 3 . 1 1 77 77 TYR CB C 77 33.700 33.700 40.847 -7.147 19079 1907 1 3 . 1 1 77 77 TYR H H 77 8.981 8.981 8.145 0.836 19079 1908 1 3 . 1 1 78 78 PRO HA H 78 4.493 4.493 4.691 -0.198 19079 1909 1 3 . 1 1 78 78 PRO CA C 78 62.242 62.242 62.459 -0.217 19079 1910 1 3 . 1 1 78 78 PRO CB C 78 31.237 31.237 32.245 -1.008 19079 1911 1 3 . 1 1 79 79 VAL N N 79 123.871 123.871 123.238 0.633 19079 1912 1 3 . 1 1 79 79 VAL HA H 79 3.953 3.953 4.420 -0.467 19079 1913 1 3 . 1 1 79 79 VAL C C 79 174.991 174.991 174.195 0.796 19079 1914 1 3 . 1 1 79 79 VAL CA C 79 61.545 61.545 59.482 2.063 19079 1915 1 3 . 1 1 79 79 VAL CB C 79 33.090 33.090 35.121 -2.031 19079 1916 1 3 . 1 1 79 79 VAL H H 79 8.512 8.512 8.982 -0.470 19079 1917 1 3 . 1 1 80 80 GLU N N 80 124.050 124.050 128.259 -4.209 19079 1918 1 3 . 1 1 80 80 GLU HA H 80 4.072 4.072 4.217 -0.145 19079 1919 1 3 . 1 1 80 80 GLU C C 80 175.607 175.607 175.329 0.278 19079 1920 1 3 . 1 1 80 80 GLU CA C 80 56.291 56.291 55.853 0.438 19079 1921 1 3 . 1 1 80 80 GLU CB C 80 30.272 30.272 30.445 -0.173 19079 1922 1 3 . 1 1 80 80 GLU H H 80 8.068 8.068 8.624 -0.556 19079 1923 1 3 . 1 1 81 81 GLU N N 81 120.701 120.701 123.102 -2.401 19079 1924 1 3 . 1 1 81 81 GLU HA H 81 4.194 4.194 4.294 -0.100 19079 1925 1 3 . 1 1 81 81 GLU C C 81 175.817 175.817 176.379 -0.562 19079 1926 1 3 . 1 1 81 81 GLU CA C 81 57.390 57.390 57.373 0.017 19079 1927 1 3 . 1 1 81 81 GLU CB C 81 30.713 30.713 29.004 1.709 19079 1928 1 3 . 1 1 81 81 GLU H H 81 8.751 8.751 8.693 0.058 19079 1929 1 3 . 1 1 82 82 THR N N 82 115.162 115.162 117.919 -2.757 19079 1930 1 3 . 1 1 82 82 THR HA H 82 4.688 4.688 4.389 0.299 19079 1931 1 3 . 1 1 82 82 THR CA C 82 60.041 60.041 61.425 -1.383 19079 1932 1 3 . 1 1 82 82 THR CB C 82 73.866 73.866 70.244 3.622 19079 1933 1 3 . 1 1 82 82 THR H H 82 8.631 8.631 8.711 -0.080 19079 1934 1 3 . 1 1 83 83 GLN N N 83 116.650 116.650 118.826 -2.176 19079 1935 1 3 . 1 1 83 83 GLN HA H 83 4.629 4.629 4.046 0.583 19079 1936 1 3 . 1 1 83 83 GLN CA C 83 57.643 57.643 58.781 -1.138 19079 1937 1 3 . 1 1 83 83 GLN CB C 83 30.537 30.537 28.092 2.445 19079 1938 1 3 . 1 1 83 83 GLN H H 83 8.714 8.714 8.909 -0.195 19079 1939 1 3 . 1 1 86 86 PRO HA H 86 4.779 4.779 4.362 0.417 19079 1940 1 3 . 1 1 86 86 PRO CA C 86 62.018 62.018 62.308 -0.290 19079 1941 1 3 . 1 1 86 86 PRO CB C 86 32.818 32.818 32.629 0.189 19079 1942 1 3 . 1 1 87 87 LYS N N 87 123.136 123.136 120.699 2.437 19079 1943 1 3 . 1 1 87 87 LYS HA H 87 4.545 4.545 4.583 -0.038 19079 1944 1 3 . 1 1 87 87 LYS C C 87 176.411 176.411 176.320 0.091 19079 1945 1 3 . 1 1 87 87 LYS CA C 87 57.800 57.800 56.560 1.240 19079 1946 1 3 . 1 1 87 87 LYS CB C 87 32.322 32.322 32.021 0.301 19079 1947 1 3 . 1 1 87 87 LYS H H 87 8.936 8.936 8.281 0.654 19079 1948 1 3 . 1 1 88 88 HIS N N 88 119.788 119.788 123.491 -3.703 19079 1949 1 3 . 1 1 88 88 HIS HA H 88 4.973 4.973 4.663 0.309 19079 1950 1 3 . 1 1 88 88 HIS C C 88 171.431 171.431 173.243 -1.812 19079 1951 1 3 . 1 1 88 88 HIS CA C 88 55.171 55.171 56.032 -0.861 19079 1952 1 3 . 1 1 88 88 HIS CB C 88 29.695 29.695 32.919 -3.224 19079 1953 1 3 . 1 1 88 88 HIS H H 88 8.490 8.490 8.489 0.001 19079 1954 1 3 . 1 1 89 89 ILE N N 89 120.371 120.371 120.101 0.270 19079 1955 1 3 . 1 1 89 89 ILE HA H 89 4.453 4.453 4.619 -0.166 19079 1956 1 3 . 1 1 89 89 ILE C C 89 176.167 176.167 175.335 0.832 19079 1957 1 3 . 1 1 89 89 ILE CA C 89 60.066 60.066 59.816 0.250 19079 1958 1 3 . 1 1 89 89 ILE CB C 89 38.855 38.855 40.144 -1.289 19079 1959 1 3 . 1 1 89 89 ILE H H 89 8.417 8.417 8.638 -0.221 19079 1960 1 3 . 1 1 90 90 GLN N N 90 122.913 122.913 123.335 -0.422 19079 1961 1 3 . 1 1 90 90 GLN HA H 90 5.313 5.313 4.908 0.405 19079 1962 1 3 . 1 1 90 90 GLN CA C 90 54.194 54.194 53.685 0.509 19079 1963 1 3 . 1 1 90 90 GLN CB C 90 32.780 32.780 33.672 -0.892 19079 1964 1 3 . 1 1 90 90 GLN H H 90 8.286 8.286 8.181 0.105 19079 1965 1 3 . 1 1 91 91 TYR N N 91 117.779 117.779 117.360 0.419 19079 1966 1 3 . 1 1 91 91 TYR HA H 91 5.394 5.394 5.122 0.272 19079 1967 1 3 . 1 1 91 91 TYR C C 91 175.762 175.762 175.567 0.195 19079 1968 1 3 . 1 1 91 91 TYR CA C 91 56.672 56.672 56.742 -0.070 19079 1969 1 3 . 1 1 91 91 TYR CB C 91 41.701 41.701 42.619 -0.918 19079 1970 1 3 . 1 1 91 91 TYR H H 91 8.086 8.086 8.668 -0.582 19079 1971 1 3 . 1 1 92 92 ASN N N 92 113.182 113.182 115.725 -2.543 19079 1972 1 3 . 1 1 92 92 ASN HA H 92 4.558 4.558 4.461 0.097 19079 1973 1 3 . 1 1 92 92 ASN C C 92 172.369 172.369 174.224 -1.855 19079 1974 1 3 . 1 1 92 92 ASN CA C 92 55.522 55.522 54.281 1.241 19079 1975 1 3 . 1 1 92 92 ASN CB C 92 37.732 37.732 36.448 1.284 19079 1976 1 3 . 1 1 92 92 ASN H H 92 8.529 8.529 8.463 0.066 19079 1977 1 3 . 1 1 93 93 LEU N N 93 117.359 117.359 119.653 -2.294 19079 1978 1 3 . 1 1 93 93 LEU HA H 93 5.455 5.455 5.571 -0.116 19079 1979 1 3 . 1 1 93 93 LEU C C 93 177.709 177.709 175.592 2.117 19079 1980 1 3 . 1 1 93 93 LEU CA C 93 54.341 54.341 53.422 0.919 19079 1981 1 3 . 1 1 93 93 LEU CB C 93 47.006 47.006 46.076 0.930 19079 1982 1 3 . 1 1 93 93 LEU H H 93 7.846 7.846 8.557 -0.711 19079 1983 1 3 . 1 1 94 94 LEU N N 94 123.298 123.298 123.729 -0.431 19079 1984 1 3 . 1 1 94 94 LEU HA H 94 5.014 5.014 5.069 -0.055 19079 1985 1 3 . 1 1 94 94 LEU C C 94 175.771 175.771 175.788 -0.017 19079 1986 1 3 . 1 1 94 94 LEU CA C 94 53.889 53.889 53.648 0.241 19079 1987 1 3 . 1 1 94 94 LEU CB C 94 44.784 44.784 42.468 2.316 19079 1988 1 3 . 1 1 94 94 LEU H H 94 9.155 9.155 8.915 0.240 19079 1989 1 3 . 1 1 95 95 ILE N N 95 121.585 121.585 124.920 -3.335 19079 1990 1 3 . 1 1 95 95 ILE HA H 95 5.166 5.166 5.150 0.016 19079 1991 1 3 . 1 1 95 95 ILE C C 95 175.885 175.885 175.902 -0.017 19079 1992 1 3 . 1 1 95 95 ILE CA C 95 59.795 59.795 59.185 0.610 19079 1993 1 3 . 1 1 95 95 ILE CB C 95 39.820 39.820 39.050 0.770 19079 1994 1 3 . 1 1 95 95 ILE H H 95 8.920 8.920 7.767 1.153 19079 1995 1 3 . 1 1 96 96 GLY N N 96 115.891 115.891 115.767 0.124 19079 1996 1 3 . 1 1 96 96 GLY C C 96 171.937 171.937 172.074 -0.137 19079 1997 1 3 . 1 1 96 96 GLY CA C 96 44.865 44.865 44.203 0.662 19079 1998 1 3 . 1 1 96 96 GLY H H 96 9.223 9.223 8.697 0.526 19079 1999 1 3 . 1 1 97 97 GLU N N 97 119.340 119.340 121.595 -2.255 19079 2000 1 3 . 1 1 97 97 GLU HA H 97 4.831 4.831 4.591 0.240 19079 2001 1 3 . 1 1 97 97 GLU C C 97 175.567 175.567 175.279 0.288 19079 2002 1 3 . 1 1 97 97 GLU CA C 97 55.736 55.736 54.985 0.751 19079 2003 1 3 . 1 1 97 97 GLU CB C 97 31.009 31.009 30.684 0.325 19079 2004 1 3 . 1 1 97 97 GLU H H 97 8.197 8.197 7.845 0.352 19079 2005 1 3 . 1 1 98 98 GLY N N 98 113.912 113.912 113.028 0.884 19079 2006 1 3 . 1 1 98 98 GLY CA C 98 45.089 45.089 43.506 1.583 19079 2007 1 3 . 1 1 98 98 GLY H H 98 7.767 7.767 8.100 -0.333 19079 2008 1 3 . 1 1 99 99 PRO HA H 99 4.347 4.347 4.479 -0.132 19079 2009 1 3 . 1 1 99 99 PRO CA C 99 62.396 62.396 62.684 -0.288 19079 2010 1 3 . 1 1 99 99 PRO CB C 99 32.558 32.558 32.959 -0.402 19079 2011 1 3 . 1 1 100 100 CYS N N 100 122.972 122.972 117.447 5.525 19079 2012 1 3 . 1 1 100 100 CYS HA H 100 4.567 4.567 4.790 -0.223 19079 2013 1 3 . 1 1 100 100 CYS C C 100 172.077 172.077 173.114 -1.037 19079 2014 1 3 . 1 1 100 100 CYS CA C 100 60.097 60.097 58.416 1.681 19079 2015 1 3 . 1 1 100 100 CYS CB C 100 28.063 28.063 29.184 -1.121 19079 2016 1 3 . 1 1 100 100 CYS H H 100 8.219 8.219 8.108 0.111 19079 2017 1 3 . 1 1 101 101 VAL N N 101 123.973 123.973 123.831 0.142 19079 2018 1 3 . 1 1 101 101 VAL HA H 101 4.888 4.888 4.503 0.385 19079 2019 1 3 . 1 1 101 101 VAL CA C 101 58.947 58.947 59.160 -0.213 19079 2020 1 3 . 1 1 101 101 VAL CB C 101 32.322 32.322 33.888 -1.566 19079 2021 1 3 . 1 1 101 101 VAL H H 101 8.662 8.662 8.476 0.186 19079 2022 1 3 . 1 1 103 103 GLY C C 103 175.333 175.333 174.863 0.470 19079 2023 1 3 . 1 1 103 103 GLY CA C 103 45.683 45.683 45.897 -0.214 19079 2024 1 3 . 1 1 104 104 ASP N N 104 121.740 121.740 121.516 0.224 19079 2025 1 3 . 1 1 104 104 ASP HA H 104 4.836 4.836 4.447 0.389 19079 2026 1 3 . 1 1 104 104 ASP C C 104 176.601 176.601 176.624 -0.023 19079 2027 1 3 . 1 1 104 104 ASP CA C 104 54.700 54.700 55.259 -0.559 19079 2028 1 3 . 1 1 104 104 ASP CB C 104 41.322 41.322 40.645 0.677 19079 2029 1 3 . 1 1 104 104 ASP H H 104 8.217 8.217 7.918 0.299 19079 2030 1 3 . 1 1 105 105 ALA N N 105 121.750 121.750 121.615 0.135 19079 2031 1 3 . 1 1 105 105 ALA HA H 105 3.707 3.707 3.887 -0.180 19079 2032 1 3 . 1 1 105 105 ALA C C 105 175.218 175.218 177.640 -2.422 19079 2033 1 3 . 1 1 105 105 ALA CA C 105 54.002 54.002 53.436 0.566 19079 2034 1 3 . 1 1 105 105 ALA CB C 105 18.021 18.021 18.586 -0.565 19079 2035 1 3 . 1 1 105 105 ALA H H 105 7.672 7.672 7.782 -0.110 19079 2036 1 3 . 1 1 106 106 GLY N N 106 110.675 110.675 111.089 -0.414 19079 2037 1 3 . 1 1 106 106 GLY C C 106 174.112 174.112 174.783 -0.671 19079 2038 1 3 . 1 1 106 106 GLY CA C 106 45.354 45.354 44.601 0.753 19079 2039 1 3 . 1 1 106 106 GLY H H 106 8.781 8.781 7.978 0.803 19079 2040 1 3 . 1 1 107 107 GLY N N 107 104.052 104.052 107.937 -3.885 19079 2041 1 3 . 1 1 107 107 GLY C C 107 173.970 173.970 173.131 0.839 19079 2042 1 3 . 1 1 107 107 GLY CA C 107 46.405 46.405 45.241 1.164 19079 2043 1 3 . 1 1 107 107 GLY H H 107 7.727 7.727 7.686 0.041 19079 2044 1 3 . 1 1 108 108 LYS N N 108 122.212 122.212 119.649 2.563 19079 2045 1 3 . 1 1 108 108 LYS HA H 108 4.442 4.442 4.654 -0.212 19079 2046 1 3 . 1 1 108 108 LYS C C 108 175.056 175.056 175.612 -0.556 19079 2047 1 3 . 1 1 108 108 LYS CA C 108 58.497 58.497 55.348 3.149 19079 2048 1 3 . 1 1 108 108 LYS CB C 108 36.053 36.053 34.460 1.593 19079 2049 1 3 . 1 1 108 108 LYS H H 108 8.553 8.553 8.290 0.263 19079 2050 1 3 . 1 1 109 109 LEU N N 109 119.300 119.300 128.858 -9.558 19079 2051 1 3 . 1 1 109 109 LEU HA H 109 4.881 4.881 5.230 -0.349 19079 2052 1 3 . 1 1 109 109 LEU C C 109 175.017 175.017 174.613 0.404 19079 2053 1 3 . 1 1 109 109 LEU CA C 109 53.372 53.372 53.671 -0.299 19079 2054 1 3 . 1 1 109 109 LEU CB C 109 43.275 43.275 43.182 0.093 19079 2055 1 3 . 1 1 109 109 LEU H H 109 8.065 8.065 9.215 -1.150 19079 2056 1 3 . 1 1 110 110 LEU N N 110 126.757 126.757 127.550 -0.793 19079 2057 1 3 . 1 1 110 110 LEU HA H 110 5.498 5.498 4.952 0.546 19079 2058 1 3 . 1 1 110 110 LEU C C 110 176.125 176.125 175.921 0.204 19079 2059 1 3 . 1 1 110 110 LEU CA C 110 55.318 55.318 54.295 1.023 19079 2060 1 3 . 1 1 110 110 LEU CB C 110 44.799 44.799 44.351 0.448 19079 2061 1 3 . 1 1 110 110 LEU H H 110 9.450 9.450 9.172 0.278 19079 2062 1 3 . 1 1 111 111 CYS N N 111 118.897 118.897 120.866 -1.969 19079 2063 1 3 . 1 1 111 111 CYS HA H 111 5.254 5.254 4.847 0.407 19079 2064 1 3 . 1 1 111 111 CYS C C 111 177.063 177.063 175.844 1.219 19079 2065 1 3 . 1 1 111 111 CYS CA C 111 57.201 57.201 56.408 0.793 19079 2066 1 3 . 1 1 111 111 CYS CB C 111 32.532 32.532 30.935 1.597 19079 2067 1 3 . 1 1 111 111 CYS H H 111 8.575 8.575 8.735 -0.160 19079 2068 1 3 . 1 1 112 112 ARG N N 112 116.382 116.382 120.095 -3.713 19079 2069 1 3 . 1 1 112 112 ARG HA H 112 3.918 3.918 3.902 0.016 19079 2070 1 3 . 1 1 112 112 ARG C C 112 176.892 176.892 177.548 -0.656 19079 2071 1 3 . 1 1 112 112 ARG CA C 112 59.714 59.714 58.617 1.097 19079 2072 1 3 . 1 1 112 112 ARG CB C 112 29.874 29.874 29.303 0.571 19079 2073 1 3 . 1 1 112 112 ARG H H 112 8.350 8.350 8.639 -0.289 19079 2074 1 3 . 1 1 113 113 HIS N N 113 121.579 121.579 114.252 7.327 19079 2075 1 3 . 1 1 113 113 HIS HA H 113 4.480 4.480 4.697 -0.217 19079 2076 1 3 . 1 1 113 113 HIS C C 113 175.439 175.439 175.711 -0.272 19079 2077 1 3 . 1 1 113 113 HIS CA C 113 58.739 58.739 56.372 2.367 19079 2078 1 3 . 1 1 113 113 HIS CB C 113 31.050 31.050 30.768 0.282 19079 2079 1 3 . 1 1 113 113 HIS H H 113 10.445 10.445 7.182 3.263 19079 2080 1 3 . 1 1 114 114 GLY N N 114 108.273 108.273 105.539 2.734 19079 2081 1 3 . 1 1 114 114 GLY C C 114 169.307 169.307 172.781 -3.474 19079 2082 1 3 . 1 1 114 114 GLY CA C 114 45.413 45.413 44.915 0.498 19079 2083 1 3 . 1 1 114 114 GLY H H 114 7.689 7.689 7.440 0.249 19079 2084 1 3 . 1 1 115 115 VAL N N 115 120.998 120.998 121.833 -0.835 19079 2085 1 3 . 1 1 115 115 VAL HA H 115 4.476 4.476 4.044 0.432 19079 2086 1 3 . 1 1 115 115 VAL C C 115 173.881 173.881 176.373 -2.492 19079 2087 1 3 . 1 1 115 115 VAL CA C 115 62.513 62.513 64.658 -2.145 19079 2088 1 3 . 1 1 115 115 VAL CB C 115 32.113 32.113 32.098 0.015 19079 2089 1 3 . 1 1 115 115 VAL H H 115 8.455 8.455 8.434 0.021 19079 2090 1 3 . 1 1 116 116 ILE N N 116 114.566 114.566 117.367 -2.801 19079 2091 1 3 . 1 1 116 116 ILE HA H 116 4.603 4.603 4.650 -0.047 19079 2092 1 3 . 1 1 116 116 ILE C C 116 175.445 175.445 175.037 0.408 19079 2093 1 3 . 1 1 116 116 ILE CA C 116 61.470 61.470 60.182 1.288 19079 2094 1 3 . 1 1 116 116 ILE CB C 116 40.782 40.782 39.254 1.528 19079 2095 1 3 . 1 1 116 116 ILE H H 116 8.460 8.460 9.092 -0.632 19079 2096 1 3 . 1 1 117 117 GLY N N 117 106.195 106.195 107.948 -1.753 19079 2097 1 3 . 1 1 117 117 GLY C C 117 171.664 171.664 171.774 -0.110 19079 2098 1 3 . 1 1 117 117 GLY CA C 117 46.303 46.303 45.882 0.421 19079 2099 1 3 . 1 1 117 117 GLY H H 117 7.827 7.827 7.535 0.292 19079 2100 1 3 . 1 1 118 118 ILE N N 118 109.501 109.501 115.327 -5.826 19079 2101 1 3 . 1 1 118 118 ILE HA H 118 5.611 5.611 5.523 0.088 19079 2102 1 3 . 1 1 118 118 ILE C C 118 176.642 176.642 175.153 1.489 19079 2103 1 3 . 1 1 118 118 ILE CA C 118 58.787 58.787 57.749 1.038 19079 2104 1 3 . 1 1 118 118 ILE CB C 118 43.351 43.351 41.946 1.405 19079 2105 1 3 . 1 1 118 118 ILE H H 118 7.571 7.571 8.023 -0.452 19079 2106 1 3 . 1 1 119 119 ILE N N 119 124.258 124.258 119.860 4.398 19079 2107 1 3 . 1 1 119 119 ILE HA H 119 3.774 3.774 3.424 0.350 19079 2108 1 3 . 1 1 119 119 ILE C C 119 177.447 177.447 176.457 0.990 19079 2109 1 3 . 1 1 119 119 ILE CA C 119 64.399 64.399 61.526 2.873 19079 2110 1 3 . 1 1 119 119 ILE CB C 119 39.393 39.393 36.020 3.373 19079 2111 1 3 . 1 1 119 119 ILE H H 119 9.465 9.465 7.974 1.491 19079 2112 1 3 . 1 1 120 120 THR N N 120 122.153 122.153 123.564 -1.411 19079 2113 1 3 . 1 1 120 120 THR HA H 120 4.670 4.670 4.350 0.320 19079 2114 1 3 . 1 1 120 120 THR C C 120 171.416 171.416 174.026 -2.610 19079 2115 1 3 . 1 1 120 120 THR CA C 120 61.440 61.440 62.278 -0.838 19079 2116 1 3 . 1 1 120 120 THR CB C 120 70.455 70.455 69.672 0.783 19079 2117 1 3 . 1 1 120 120 THR H H 120 9.400 9.400 8.074 1.326 19079 2118 1 3 . 1 1 121 121 ALA N N 121 124.014 124.014 120.884 3.130 19079 2119 1 3 . 1 1 121 121 ALA HA H 121 4.583 4.583 4.472 0.111 19079 2120 1 3 . 1 1 121 121 ALA C C 121 173.695 173.695 174.998 -1.303 19079 2121 1 3 . 1 1 121 121 ALA CA C 121 51.833 51.833 51.219 0.614 19079 2122 1 3 . 1 1 121 121 ALA CB C 121 22.523 22.523 21.011 1.512 19079 2123 1 3 . 1 1 121 121 ALA H H 121 7.885 7.885 7.167 0.718 19079 2124 1 3 . 1 1 122 122 GLY N N 122 103.252 103.252 105.049 -1.797 19079 2125 1 3 . 1 1 122 122 GLY C C 122 172.124 172.124 172.819 -0.695 19079 2126 1 3 . 1 1 122 122 GLY CA C 122 45.917 45.917 44.780 1.137 19079 2127 1 3 . 1 1 122 122 GLY H H 122 7.828 7.828 8.156 -0.328 19079 2128 1 3 . 1 1 123 123 GLY N N 123 107.688 107.688 106.558 1.130 19079 2129 1 3 . 1 1 123 123 GLY C C 123 174.470 174.470 172.727 1.743 19079 2130 1 3 . 1 1 123 123 GLY CA C 123 45.051 45.051 45.005 0.046 19079 2131 1 3 . 1 1 123 123 GLY H H 123 8.285 8.285 8.690 -0.405 19079 2132 1 3 . 1 1 124 124 ASP N N 124 120.288 120.288 121.973 -1.685 19079 2133 1 3 . 1 1 124 124 ASP HA H 124 4.621 4.621 4.684 -0.063 19079 2134 1 3 . 1 1 124 124 ASP C C 124 176.061 176.061 177.083 -1.022 19079 2135 1 3 . 1 1 124 124 ASP CA C 124 55.465 55.465 54.770 0.695 19079 2136 1 3 . 1 1 124 124 ASP CB C 124 40.111 40.111 39.776 0.335 19079 2137 1 3 . 1 1 124 124 ASP H H 124 9.054 9.054 8.486 0.568 19079 2138 1 3 . 1 1 125 125 GLY N N 125 105.482 105.482 113.058 -7.576 19079 2139 1 3 . 1 1 125 125 GLY C C 125 174.566 174.566 173.501 1.065 19079 2140 1 3 . 1 1 125 125 GLY CA C 125 45.493 45.493 45.577 -0.084 19079 2141 1 3 . 1 1 125 125 GLY H H 125 8.567 8.567 8.873 -0.306 19079 2142 1 3 . 1 1 126 126 HIS N N 126 117.677 117.677 116.963 0.714 19079 2143 1 3 . 1 1 126 126 HIS HA H 126 5.449 5.449 5.469 -0.020 19079 2144 1 3 . 1 1 126 126 HIS C C 126 172.058 172.058 173.214 -1.156 19079 2145 1 3 . 1 1 126 126 HIS CA C 126 54.653 54.653 55.038 -0.385 19079 2146 1 3 . 1 1 126 126 HIS CB C 126 31.709 31.709 34.164 -2.455 19079 2147 1 3 . 1 1 126 126 HIS H H 126 7.852 7.852 7.379 0.473 19079 2148 1 3 . 1 1 127 127 VAL N N 127 121.145 121.145 120.619 0.526 19079 2149 1 3 . 1 1 127 127 VAL HA H 127 4.230 4.230 4.381 -0.151 19079 2150 1 3 . 1 1 127 127 VAL C C 127 170.317 170.317 173.278 -2.961 19079 2151 1 3 . 1 1 127 127 VAL CA C 127 60.125 60.125 59.570 0.555 19079 2152 1 3 . 1 1 127 127 VAL CB C 127 34.681 34.681 35.081 -0.400 19079 2153 1 3 . 1 1 127 127 VAL H H 127 8.857 8.857 8.110 0.747 19079 2154 1 3 . 1 1 128 128 ALA N N 128 127.867 127.867 131.463 -3.596 19079 2155 1 3 . 1 1 128 128 ALA HA H 128 5.222 5.222 4.873 0.349 19079 2156 1 3 . 1 1 128 128 ALA C C 128 175.506 175.506 175.832 -0.326 19079 2157 1 3 . 1 1 128 128 ALA CA C 128 49.199 49.199 50.901 -1.702 19079 2158 1 3 . 1 1 128 128 ALA CB C 128 21.731 21.731 20.733 0.998 19079 2159 1 3 . 1 1 128 128 ALA H H 128 8.400 8.400 8.206 0.194 19079 2160 1 3 . 1 1 129 129 PHE N N 129 121.202 121.202 118.423 2.779 19079 2161 1 3 . 1 1 129 129 PHE HA H 129 5.301 5.301 5.228 0.073 19079 2162 1 3 . 1 1 129 129 PHE C C 129 176.082 176.082 175.287 0.795 19079 2163 1 3 . 1 1 129 129 PHE CA C 129 54.759 54.759 57.197 -2.438 19079 2164 1 3 . 1 1 129 129 PHE CB C 129 41.372 41.372 44.422 -3.050 19079 2165 1 3 . 1 1 129 129 PHE H H 129 9.689 9.689 8.404 1.285 19079 2166 1 3 . 1 1 130 130 THR N N 130 121.809 121.809 118.727 3.082 19079 2167 1 3 . 1 1 130 130 THR HA H 130 4.573 4.573 5.008 -0.435 19079 2168 1 3 . 1 1 130 130 THR C C 130 173.050 173.050 173.676 -0.626 19079 2169 1 3 . 1 1 130 130 THR CA C 130 63.487 63.487 60.361 3.127 19079 2170 1 3 . 1 1 130 130 THR CB C 130 70.852 70.852 70.202 0.650 19079 2171 1 3 . 1 1 130 130 THR H H 130 8.848 8.848 9.016 -0.168 19079 2172 1 3 . 1 1 131 131 ASP N N 131 128.382 128.382 129.894 -1.512 19079 2173 1 3 . 1 1 131 131 ASP HA H 131 4.915 4.915 4.777 0.138 19079 2174 1 3 . 1 1 131 131 ASP C C 131 175.616 175.616 176.584 -0.968 19079 2175 1 3 . 1 1 131 131 ASP CA C 131 52.924 52.924 56.127 -3.203 19079 2176 1 3 . 1 1 131 131 ASP CB C 131 41.513 41.513 41.198 0.315 19079 2177 1 3 . 1 1 131 131 ASP H H 131 8.722 8.722 8.384 0.338 19079 2178 1 3 . 1 1 132 132 LEU N N 132 123.250 123.250 126.676 -3.426 19079 2179 1 3 . 1 1 132 132 LEU HA H 132 4.325 4.325 4.589 -0.264 19079 2180 1 3 . 1 1 132 132 LEU C C 132 179.704 179.704 177.912 1.792 19079 2181 1 3 . 1 1 132 132 LEU CA C 132 55.286 55.286 54.864 0.422 19079 2182 1 3 . 1 1 132 132 LEU CB C 132 42.640 42.640 42.318 0.322 19079 2183 1 3 . 1 1 132 132 LEU H H 132 8.788 8.788 8.550 0.238 19079 2184 1 3 . 1 1 133 133 ARG N N 133 119.561 119.561 120.805 -1.244 19079 2185 1 3 . 1 1 133 133 ARG HA H 133 3.977 3.977 4.141 -0.164 19079 2186 1 3 . 1 1 133 133 ARG C C 133 177.476 177.476 176.336 1.140 19079 2187 1 3 . 1 1 133 133 ARG CA C 133 61.799 61.799 61.450 0.349 19079 2188 1 3 . 1 1 133 133 ARG CB C 133 27.601 27.601 28.206 -0.605 19079 2189 1 3 . 1 1 133 133 ARG H H 133 8.961 8.961 8.061 0.900 19079 2190 1 3 . 1 1 134 134 PRO HA H 134 4.284 4.284 4.315 -0.031 19079 2191 1 3 . 1 1 134 134 PRO C C 134 175.695 175.695 176.676 -0.981 19079 2192 1 3 . 1 1 134 134 PRO CA C 134 64.508 64.508 64.258 0.250 19079 2193 1 3 . 1 1 134 134 PRO CB C 134 31.008 31.008 31.342 -0.334 19079 2194 1 3 . 1 1 135 135 TYR N N 135 114.745 114.745 117.631 -2.886 19079 2195 1 3 . 1 1 135 135 TYR HA H 135 4.420 4.420 4.476 -0.056 19079 2196 1 3 . 1 1 135 135 TYR C C 135 175.146 175.146 175.542 -0.396 19079 2197 1 3 . 1 1 135 135 TYR CA C 135 57.322 57.322 59.594 -2.272 19079 2198 1 3 . 1 1 135 135 TYR CB C 135 39.549 39.549 39.010 0.539 19079 2199 1 3 . 1 1 135 135 TYR H H 135 7.419 7.419 7.716 -0.297 19079 2200 1 3 . 1 1 136 136 ASN N N 136 119.088 119.088 116.758 2.330 19079 2201 1 3 . 1 1 136 136 ASN HA H 136 4.622 4.622 4.880 -0.258 19079 2202 1 3 . 1 1 136 136 ASN C C 136 175.650 175.650 174.525 1.125 19079 2203 1 3 . 1 1 136 136 ASN CA C 136 53.601 53.601 51.740 1.861 19079 2204 1 3 . 1 1 136 136 ASN CB C 136 38.741 38.741 40.797 -2.056 19079 2205 1 3 . 1 1 136 136 ASN H H 136 7.245 7.245 7.552 -0.307 19079 2206 1 3 . 1 1 137 137 ILE N N 137 126.031 126.031 123.176 2.855 19079 2207 1 3 . 1 1 137 137 ILE HA H 137 4.135 4.135 4.080 0.055 19079 2208 1 3 . 1 1 137 137 ILE C C 137 175.636 175.636 177.075 -1.439 19079 2209 1 3 . 1 1 137 137 ILE CA C 137 61.215 61.215 61.427 -0.212 19079 2210 1 3 . 1 1 137 137 ILE CB C 137 38.380 38.380 37.368 1.012 19079 2211 1 3 . 1 1 137 137 ILE H H 137 7.849 7.849 8.486 -0.637 19079 2212 1 3 . 1 1 138 138 LYS N N 138 125.271 125.271 126.789 -1.518 19079 2213 1 3 . 1 1 138 138 LYS HA H 138 4.368 4.368 4.140 0.228 19079 2214 1 3 . 1 1 138 138 LYS C C 138 176.110 176.110 176.078 0.032 19079 2215 1 3 . 1 1 138 138 LYS CA C 138 55.906 55.906 58.496 -2.591 19079 2216 1 3 . 1 1 138 138 LYS CB C 138 33.564 33.564 32.657 0.906 19079 2217 1 3 . 1 1 138 138 LYS H H 138 8.171 8.171 8.394 -0.223 19079 2218 1 3 . 1 1 139 139 ALA N N 139 124.226 124.226 117.730 6.496 19079 2219 1 3 . 1 1 139 139 ALA HA H 139 4.384 4.384 4.371 0.013 19079 2220 1 3 . 1 1 139 139 ALA C C 139 177.788 177.788 175.941 1.847 19079 2221 1 3 . 1 1 139 139 ALA CA C 139 52.522 52.522 52.172 0.350 19079 2222 1 3 . 1 1 139 139 ALA CB C 139 19.531 19.531 19.501 0.030 19079 2223 1 3 . 1 1 139 139 ALA H H 139 8.207 8.207 7.737 0.470 19079 2224 1 3 . 1 1 140 140 THR N N 140 112.869 112.869 112.750 0.119 19079 2225 1 3 . 1 1 140 140 THR HA H 140 4.390 4.390 4.632 -0.242 19079 2226 1 3 . 1 1 140 140 THR C C 140 174.522 174.522 173.546 0.976 19079 2227 1 3 . 1 1 140 140 THR CA C 140 61.685 61.685 60.626 1.059 19079 2228 1 3 . 1 1 140 140 THR CB C 140 69.961 69.961 70.844 -0.883 19079 2229 1 3 . 1 1 140 140 THR H H 140 8.094 8.094 7.752 0.342 19079 2230 1 3 . 1 1 141 141 SER N N 141 118.138 118.138 116.838 1.300 19079 2231 1 3 . 1 1 141 141 SER HA H 141 4.500 4.500 4.627 -0.127 19079 2232 1 3 . 1 1 141 141 SER C C 141 173.503 173.503 174.077 -0.574 19079 2233 1 3 . 1 1 141 141 SER CA C 141 58.315 58.315 58.526 -0.212 19079 2234 1 3 . 1 1 141 141 SER CB C 141 64.039 64.039 63.689 0.350 19079 2235 1 3 . 1 1 141 141 SER H H 141 8.209 8.209 8.324 -0.115 19079 2236 1 4 . 1 1 2 2 PRO HA H 2 4.360 4.360 4.623 -0.263 19079 2237 1 4 . 1 1 2 2 PRO C C 2 178.185 178.185 175.905 2.280 19079 2238 1 4 . 1 1 2 2 PRO CA C 2 65.722 65.722 62.411 3.311 19079 2239 1 4 . 1 1 2 2 PRO CB C 2 33.078 33.078 32.689 0.389 19079 2240 1 4 . 1 1 3 3 SER N N 3 112.403 112.403 112.939 -0.536 19079 2241 1 4 . 1 1 3 3 SER HA H 3 3.136 3.136 4.405 -1.269 19079 2242 1 4 . 1 1 3 3 SER C C 3 172.101 172.101 173.064 -0.963 19079 2243 1 4 . 1 1 3 3 SER CA C 3 57.421 57.421 58.290 -0.869 19079 2244 1 4 . 1 1 3 3 SER CB C 3 62.812 62.812 64.357 -1.545 19079 2245 1 4 . 1 1 3 3 SER H H 3 8.494 8.494 7.978 0.516 19079 2246 1 4 . 1 1 4 4 ASP N N 4 119.024 119.024 123.389 -4.365 19079 2247 1 4 . 1 1 4 4 ASP HA H 4 4.438 4.438 4.793 -0.355 19079 2248 1 4 . 1 1 4 4 ASP C C 4 177.371 177.371 174.999 2.372 19079 2249 1 4 . 1 1 4 4 ASP CA C 4 54.800 54.800 53.789 1.011 19079 2250 1 4 . 1 1 4 4 ASP CB C 4 41.495 41.495 41.094 0.400 19079 2251 1 4 . 1 1 4 4 ASP H H 4 6.841 6.841 8.349 -1.508 19079 2252 1 4 . 1 1 5 5 LEU N N 5 129.426 129.426 120.371 9.055 19079 2253 1 4 . 1 1 5 5 LEU HA H 5 4.526 4.526 4.275 0.251 19079 2254 1 4 . 1 1 5 5 LEU C C 5 176.246 176.246 175.775 0.471 19079 2255 1 4 . 1 1 5 5 LEU CA C 5 54.010 54.010 54.218 -0.208 19079 2256 1 4 . 1 1 5 5 LEU CB C 5 40.690 40.690 42.567 -1.877 19079 2257 1 4 . 1 1 5 5 LEU H H 5 8.781 8.781 7.430 1.351 19079 2258 1 4 . 1 1 6 6 PHE HA H 6 4.842 4.842 4.274 0.568 19079 2259 1 4 . 1 1 6 6 PHE C C 6 174.584 174.584 174.724 -0.140 19079 2260 1 4 . 1 1 6 6 PHE CA C 6 56.782 56.782 58.046 -1.264 19079 2261 1 4 . 1 1 6 6 PHE CB C 6 39.576 39.576 36.949 2.627 19079 2262 1 4 . 1 1 7 7 VAL N N 7 118.923 118.923 123.470 -4.547 19079 2263 1 4 . 1 1 7 7 VAL HA H 7 4.528 4.528 4.451 0.077 19079 2264 1 4 . 1 1 7 7 VAL C C 7 173.989 173.989 174.288 -0.299 19079 2265 1 4 . 1 1 7 7 VAL CA C 7 61.571 61.571 61.188 0.383 19079 2266 1 4 . 1 1 7 7 VAL CB C 7 34.826 34.826 35.240 -0.414 19079 2267 1 4 . 1 1 7 7 VAL H H 7 8.586 8.586 8.257 0.329 19079 2268 1 4 . 1 1 8 8 HIS N N 8 132.990 132.990 122.573 10.417 19079 2269 1 4 . 1 1 8 8 HIS HA H 8 5.997 5.997 5.457 0.540 19079 2270 1 4 . 1 1 8 8 HIS C C 8 174.184 174.184 174.319 -0.135 19079 2271 1 4 . 1 1 8 8 HIS CA C 8 53.113 53.113 53.740 -0.627 19079 2272 1 4 . 1 1 8 8 HIS CB C 8 33.889 33.889 32.079 1.810 19079 2273 1 4 . 1 1 8 8 HIS H H 8 10.809 10.809 8.295 2.514 19079 2274 1 4 . 1 1 9 9 THR N N 9 118.112 118.112 116.702 1.410 19079 2275 1 4 . 1 1 9 9 THR HA H 9 5.343 5.343 4.859 0.484 19079 2276 1 4 . 1 1 9 9 THR C C 9 175.788 175.788 174.976 0.812 19079 2277 1 4 . 1 1 9 9 THR CA C 9 59.768 59.768 60.999 -1.231 19079 2278 1 4 . 1 1 9 9 THR CB C 9 70.673 70.673 71.121 -0.448 19079 2279 1 4 . 1 1 9 9 THR H H 9 9.512 9.512 8.822 0.690 19079 2280 1 4 . 1 1 10 10 GLU N N 10 117.927 117.927 125.787 -7.860 19079 2281 1 4 . 1 1 10 10 GLU HA H 10 4.096 4.096 3.795 0.301 19079 2282 1 4 . 1 1 10 10 GLU C C 10 176.321 176.321 176.596 -0.275 19079 2283 1 4 . 1 1 10 10 GLU CA C 10 59.900 59.900 59.544 0.357 19079 2284 1 4 . 1 1 10 10 GLU CB C 10 29.983 29.983 27.764 2.219 19079 2285 1 4 . 1 1 10 10 GLU H H 10 8.812 8.812 9.018 -0.206 19079 2286 1 4 . 1 1 11 11 GLN N N 11 110.877 110.877 120.037 -9.160 19079 2287 1 4 . 1 1 11 11 GLN HA H 11 4.621 4.621 4.752 -0.131 19079 2288 1 4 . 1 1 11 11 GLN C C 11 175.391 175.391 173.511 1.880 19079 2289 1 4 . 1 1 11 11 GLN CA C 11 56.071 56.071 55.114 0.957 19079 2290 1 4 . 1 1 11 11 GLN CB C 11 31.963 31.963 31.305 0.658 19079 2291 1 4 . 1 1 11 11 GLN H H 11 7.797 7.797 8.394 -0.597 19079 2292 1 4 . 1 1 12 12 ALA N N 12 122.143 122.143 123.055 -0.912 19079 2293 1 4 . 1 1 12 12 ALA HA H 12 5.049 5.049 5.311 -0.262 19079 2294 1 4 . 1 1 12 12 ALA C C 12 174.293 174.293 175.583 -1.290 19079 2295 1 4 . 1 1 12 12 ALA CA C 12 51.943 51.943 49.936 2.007 19079 2296 1 4 . 1 1 12 12 ALA CB C 12 23.177 23.177 21.500 1.677 19079 2297 1 4 . 1 1 12 12 ALA H H 12 7.814 7.814 8.197 -0.383 19079 2298 1 4 . 1 1 13 13 ILE N N 13 119.589 119.589 126.435 -6.846 19079 2299 1 4 . 1 1 13 13 ILE HA H 13 5.399 5.399 4.739 0.660 19079 2300 1 4 . 1 1 13 13 ILE C C 13 174.295 174.295 175.019 -0.724 19079 2301 1 4 . 1 1 13 13 ILE CA C 13 60.102 60.102 59.661 0.441 19079 2302 1 4 . 1 1 13 13 ILE CB C 13 41.080 41.080 38.559 2.522 19079 2303 1 4 . 1 1 13 13 ILE H H 13 9.206 9.206 8.165 1.041 19079 2304 1 4 . 1 1 14 14 TYR N N 14 127.337 127.337 128.990 -1.653 19079 2305 1 4 . 1 1 14 14 TYR HA H 14 4.853 4.853 5.405 -0.552 19079 2306 1 4 . 1 1 14 14 TYR C C 14 172.793 172.793 175.458 -2.665 19079 2307 1 4 . 1 1 14 14 TYR CA C 14 56.784 56.784 56.928 -0.144 19079 2308 1 4 . 1 1 14 14 TYR CB C 14 39.797 39.797 40.106 -0.309 19079 2309 1 4 . 1 1 14 14 TYR H H 14 9.794 9.794 8.987 0.807 19079 2310 1 4 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.722 -0.350 19079 2311 1 4 . 1 1 15 15 LYS CA C 15 55.924 55.924 55.457 0.467 19079 2312 1 4 . 1 1 15 15 LYS CB C 15 33.563 33.563 37.382 -3.819 19079 2313 1 4 . 1 1 15 15 LYS H H 15 7.550 7.550 8.341 -0.791 19079 2314 1 4 . 1 1 16 16 ASN N N 16 107.943 107.943 119.195 -11.252 19079 2315 1 4 . 1 1 16 16 ASN HA H 16 5.098 5.098 5.001 0.097 19079 2316 1 4 . 1 1 16 16 ASN C C 16 176.475 176.475 176.924 -0.449 19079 2317 1 4 . 1 1 16 16 ASN CA C 16 54.072 54.072 54.133 -0.061 19079 2318 1 4 . 1 1 16 16 ASN CB C 16 38.619 38.619 38.813 -0.194 19079 2319 1 4 . 1 1 16 16 ASN H H 16 8.156 8.156 8.787 -0.631 19079 2320 1 4 . 1 1 17 17 ALA N N 17 127.319 127.319 130.085 -2.766 19079 2321 1 4 . 1 1 17 17 ALA HA H 17 3.608 3.608 4.357 -0.749 19079 2322 1 4 . 1 1 17 17 ALA C C 17 180.081 180.081 178.899 1.182 19079 2323 1 4 . 1 1 17 17 ALA CA C 17 54.282 54.282 54.773 -0.491 19079 2324 1 4 . 1 1 17 17 ALA CB C 17 17.646 17.646 18.997 -1.351 19079 2325 1 4 . 1 1 17 17 ALA H H 17 7.573 7.573 8.216 -0.643 19079 2326 1 4 . 1 1 18 18 HIS N N 18 108.625 108.625 116.211 -7.586 19079 2327 1 4 . 1 1 18 18 HIS HA H 18 4.504 4.504 4.298 0.206 19079 2328 1 4 . 1 1 18 18 HIS C C 18 174.182 174.182 176.343 -2.161 19079 2329 1 4 . 1 1 18 18 HIS CA C 18 57.782 57.782 58.060 -0.278 19079 2330 1 4 . 1 1 18 18 HIS CB C 18 26.798 26.798 29.576 -2.778 19079 2331 1 4 . 1 1 18 18 HIS H H 18 8.118 8.118 7.926 0.192 19079 2332 1 4 . 1 1 19 19 LEU N N 19 117.682 117.682 119.401 -1.719 19079 2333 1 4 . 1 1 19 19 LEU HA H 19 4.444 4.444 4.230 0.214 19079 2334 1 4 . 1 1 19 19 LEU C C 19 175.795 175.795 177.950 -2.155 19079 2335 1 4 . 1 1 19 19 LEU CA C 19 53.309 53.309 55.406 -2.097 19079 2336 1 4 . 1 1 19 19 LEU CB C 19 42.366 42.366 42.514 -0.148 19079 2337 1 4 . 1 1 19 19 LEU H H 19 6.677 6.677 7.760 -1.083 19079 2338 1 4 . 1 1 20 20 THR N N 20 116.187 116.187 109.770 6.417 19079 2339 1 4 . 1 1 20 20 THR HA H 20 4.700 4.700 4.391 0.309 19079 2340 1 4 . 1 1 20 20 THR C C 20 171.105 171.105 174.890 -3.785 19079 2341 1 4 . 1 1 20 20 THR CA C 20 58.570 58.570 61.819 -3.249 19079 2342 1 4 . 1 1 20 20 THR CB C 20 69.724 69.724 70.156 -0.432 19079 2343 1 4 . 1 1 20 20 THR H H 20 7.399 7.399 7.583 -0.184 19079 2344 1 4 . 1 1 21 21 THR N N 21 114.194 114.194 119.822 -5.628 19079 2345 1 4 . 1 1 21 21 THR HA H 21 5.124 5.124 4.017 1.107 19079 2346 1 4 . 1 1 21 21 THR CA C 21 58.991 58.991 61.756 -2.765 19079 2347 1 4 . 1 1 21 21 THR CB C 21 71.564 71.564 68.829 2.735 19079 2348 1 4 . 1 1 21 21 THR H H 21 8.410 8.410 8.152 0.258 19079 2349 1 4 . 1 1 22 22 PRO HA H 22 4.432 4.432 4.560 -0.128 19079 2350 1 4 . 1 1 22 22 PRO C C 22 175.895 175.895 177.071 -1.176 19079 2351 1 4 . 1 1 22 22 PRO CA C 22 63.390 63.390 62.681 0.709 19079 2352 1 4 . 1 1 22 22 PRO CB C 22 32.203 32.203 32.142 0.061 19079 2353 1 4 . 1 1 23 23 ASN N N 23 119.233 119.233 117.046 2.187 19079 2354 1 4 . 1 1 23 23 ASN HA H 23 5.032 5.032 4.518 0.514 19079 2355 1 4 . 1 1 23 23 ASN C C 23 175.963 175.963 175.770 0.193 19079 2356 1 4 . 1 1 23 23 ASN CA C 23 52.452 52.452 54.899 -2.447 19079 2357 1 4 . 1 1 23 23 ASN CB C 23 41.420 41.420 38.383 3.037 19079 2358 1 4 . 1 1 23 23 ASN H H 23 9.227 9.227 8.404 0.823 19079 2359 1 4 . 1 1 24 24 ASP N N 24 119.074 119.074 116.787 2.287 19079 2360 1 4 . 1 1 24 24 ASP HA H 24 4.417 4.417 4.712 -0.295 19079 2361 1 4 . 1 1 24 24 ASP C C 24 176.983 176.983 175.259 1.724 19079 2362 1 4 . 1 1 24 24 ASP CA C 24 56.942 56.942 54.335 2.607 19079 2363 1 4 . 1 1 24 24 ASP CB C 24 40.266 40.266 40.726 -0.460 19079 2364 1 4 . 1 1 24 24 ASP H H 24 8.649 8.649 8.243 0.406 19079 2365 1 4 . 1 1 25 25 GLN N N 25 116.580 116.580 118.832 -2.252 19079 2366 1 4 . 1 1 25 25 GLN HA H 25 4.425 4.425 4.389 0.036 19079 2367 1 4 . 1 1 25 25 GLN C C 25 177.373 177.373 176.140 1.233 19079 2368 1 4 . 1 1 25 25 GLN CA C 25 55.419 55.419 56.480 -1.061 19079 2369 1 4 . 1 1 25 25 GLN CB C 25 28.933 28.933 29.412 -0.479 19079 2370 1 4 . 1 1 25 25 GLN H H 25 9.028 9.028 8.331 0.697 19079 2371 1 4 . 1 1 26 26 THR N N 26 122.196 122.196 110.222 11.974 19079 2372 1 4 . 1 1 26 26 THR HA H 26 4.779 4.779 4.231 0.548 19079 2373 1 4 . 1 1 26 26 THR C C 26 174.583 174.583 174.044 0.539 19079 2374 1 4 . 1 1 26 26 THR CA C 26 65.218 65.218 62.968 2.250 19079 2375 1 4 . 1 1 26 26 THR CB C 26 68.963 68.963 69.659 -0.696 19079 2376 1 4 . 1 1 26 26 THR H H 26 7.692 7.692 7.490 0.202 19079 2377 1 4 . 1 1 27 27 ILE N N 27 129.367 129.367 119.118 10.249 19079 2378 1 4 . 1 1 27 27 ILE HA H 27 4.112 4.112 4.253 -0.141 19079 2379 1 4 . 1 1 27 27 ILE C C 27 175.734 175.734 175.331 0.403 19079 2380 1 4 . 1 1 27 27 ILE CA C 27 62.558 62.558 61.956 0.602 19079 2381 1 4 . 1 1 27 27 ILE CB C 27 40.357 40.357 39.709 0.648 19079 2382 1 4 . 1 1 27 27 ILE H H 27 9.785 9.785 8.478 1.307 19079 2383 1 4 . 1 1 28 28 LEU N N 28 120.773 120.773 122.120 -1.347 19079 2384 1 4 . 1 1 28 28 LEU HA H 28 4.506 4.506 4.704 -0.198 19079 2385 1 4 . 1 1 28 28 LEU C C 28 173.083 173.083 174.386 -1.303 19079 2386 1 4 . 1 1 28 28 LEU CA C 28 55.337 55.337 54.934 0.403 19079 2387 1 4 . 1 1 28 28 LEU CB C 28 45.942 45.942 45.139 0.803 19079 2388 1 4 . 1 1 28 28 LEU H H 28 7.814 7.814 7.488 0.326 19079 2389 1 4 . 1 1 29 29 LEU N N 29 128.285 128.285 122.641 5.644 19079 2390 1 4 . 1 1 29 29 LEU HA H 29 4.798 4.798 5.291 -0.493 19079 2391 1 4 . 1 1 29 29 LEU C C 29 174.589 174.589 175.364 -0.775 19079 2392 1 4 . 1 1 29 29 LEU CA C 29 54.133 54.133 54.051 0.082 19079 2393 1 4 . 1 1 29 29 LEU CB C 29 43.909 43.909 45.975 -2.066 19079 2394 1 4 . 1 1 29 29 LEU H H 29 8.653 8.653 8.113 0.540 19079 2395 1 4 . 1 1 30 30 ALA N N 30 132.532 132.532 125.829 6.703 19079 2396 1 4 . 1 1 30 30 ALA HA H 30 4.995 4.995 4.832 0.163 19079 2397 1 4 . 1 1 30 30 ALA C C 30 177.994 177.994 177.421 0.573 19079 2398 1 4 . 1 1 30 30 ALA CA C 30 49.621 49.621 50.761 -1.140 19079 2399 1 4 . 1 1 30 30 ALA CB C 30 18.022 18.022 19.768 -1.746 19079 2400 1 4 . 1 1 30 30 ALA H H 30 9.179 9.179 8.709 0.470 19079 2401 1 4 . 1 1 31 31 LEU N N 31 126.651 126.651 125.321 1.330 19079 2402 1 4 . 1 1 31 31 LEU HA H 31 4.619 4.619 4.196 0.423 19079 2403 1 4 . 1 1 31 31 LEU CA C 31 59.032 59.032 57.683 1.349 19079 2404 1 4 . 1 1 31 31 LEU CB C 31 41.356 41.356 41.375 -0.019 19079 2405 1 4 . 1 1 31 31 LEU H H 31 8.828 8.828 9.106 -0.278 19079 2406 1 4 . 1 1 32 32 THR HA H 32 4.283 4.283 3.098 1.185 19079 2407 1 4 . 1 1 32 32 THR C C 32 173.341 173.341 174.738 -1.397 19079 2408 1 4 . 1 1 32 32 THR CA C 32 63.443 63.443 63.607 -0.164 19079 2409 1 4 . 1 1 32 32 THR CB C 32 68.639 68.639 68.510 0.129 19079 2410 1 4 . 1 1 32 32 THR H H 32 8.105 8.105 7.989 0.116 19079 2411 1 4 . 1 1 33 33 ALA N N 33 122.960 122.960 121.704 1.256 19079 2412 1 4 . 1 1 33 33 ALA HA H 33 5.301 5.301 4.456 0.845 19079 2413 1 4 . 1 1 33 33 ALA C C 33 175.467 175.467 176.840 -1.373 19079 2414 1 4 . 1 1 33 33 ALA CA C 33 50.782 50.782 51.156 -0.374 19079 2415 1 4 . 1 1 33 33 ALA CB C 33 20.256 20.256 20.114 0.142 19079 2416 1 4 . 1 1 33 33 ALA H H 33 7.328 7.328 7.630 -0.302 19079 2417 1 4 . 1 1 34 34 ASP N N 34 115.713 115.713 117.476 -1.763 19079 2418 1 4 . 1 1 34 34 ASP HA H 34 4.194 4.194 4.550 -0.356 19079 2419 1 4 . 1 1 34 34 ASP C C 34 175.750 175.750 174.545 1.205 19079 2420 1 4 . 1 1 34 34 ASP CA C 34 55.269 55.269 55.560 -0.291 19079 2421 1 4 . 1 1 34 34 ASP CB C 34 40.525 40.525 40.236 0.289 19079 2422 1 4 . 1 1 34 34 ASP H H 34 7.927 7.927 8.040 -0.113 19079 2423 1 4 . 1 1 35 35 LEU N N 35 119.485 119.485 117.783 1.702 19079 2424 1 4 . 1 1 35 35 LEU HA H 35 5.102 5.102 5.052 0.050 19079 2425 1 4 . 1 1 35 35 LEU C C 35 173.060 173.060 174.188 -1.128 19079 2426 1 4 . 1 1 35 35 LEU CA C 35 54.268 54.268 53.955 0.313 19079 2427 1 4 . 1 1 35 35 LEU CB C 35 47.326 47.326 46.818 0.508 19079 2428 1 4 . 1 1 35 35 LEU H H 35 7.820 7.820 7.437 0.383 19079 2429 1 4 . 1 1 36 36 GLN N N 36 127.748 127.748 118.797 8.951 19079 2430 1 4 . 1 1 36 36 GLN HA H 36 4.790 4.790 5.101 -0.311 19079 2431 1 4 . 1 1 36 36 GLN C C 36 173.161 173.161 173.901 -0.740 19079 2432 1 4 . 1 1 36 36 GLN CA C 36 55.286 55.286 53.505 1.782 19079 2433 1 4 . 1 1 36 36 GLN CB C 36 32.594 32.594 33.143 -0.549 19079 2434 1 4 . 1 1 36 36 GLN H H 36 9.050 9.050 9.025 0.025 19079 2435 1 4 . 1 1 37 37 ILE N N 37 125.606 125.606 120.925 4.681 19079 2436 1 4 . 1 1 37 37 ILE HA H 37 4.807 4.807 4.709 0.098 19079 2437 1 4 . 1 1 37 37 ILE C C 37 174.921 174.921 174.495 0.426 19079 2438 1 4 . 1 1 37 37 ILE CA C 37 59.869 59.869 59.748 0.121 19079 2439 1 4 . 1 1 37 37 ILE CB C 37 39.750 39.750 40.337 -0.587 19079 2440 1 4 . 1 1 37 37 ILE H H 37 8.828 8.828 8.317 0.511 19079 2441 1 4 . 1 1 38 38 ASP N N 38 128.163 128.163 124.683 3.480 19079 2442 1 4 . 1 1 38 38 ASP HA H 38 5.259 5.259 4.970 0.289 19079 2443 1 4 . 1 1 38 38 ASP C C 38 176.122 176.122 175.281 0.841 19079 2444 1 4 . 1 1 38 38 ASP CA C 38 52.316 52.316 51.502 0.814 19079 2445 1 4 . 1 1 38 38 ASP CB C 38 43.251 43.251 45.025 -1.774 19079 2446 1 4 . 1 1 38 38 ASP H H 38 9.226 9.226 8.466 0.760 19079 2447 1 4 . 1 1 39 39 GLY N N 39 107.273 107.273 106.675 0.598 19079 2448 1 4 . 1 1 39 39 GLY C C 39 171.808 171.808 173.085 -1.277 19079 2449 1 4 . 1 1 39 39 GLY CA C 39 45.108 45.108 44.783 0.325 19079 2450 1 4 . 1 1 39 39 GLY H H 39 8.682 8.682 8.533 0.149 19079 2451 1 4 . 1 1 40 40 CYS N N 40 114.602 114.602 118.535 -3.933 19079 2452 1 4 . 1 1 40 40 CYS HA H 40 4.832 4.832 4.532 0.300 19079 2453 1 4 . 1 1 40 40 CYS CA C 40 55.517 55.517 57.873 -2.356 19079 2454 1 4 . 1 1 40 40 CYS CB C 40 30.872 30.872 31.150 -0.278 19079 2455 1 4 . 1 1 40 40 CYS H H 40 7.784 7.784 8.181 -0.397 19079 2456 1 4 . 1 1 41 41 ASP N N 41 121.388 121.388 121.958 -0.570 19079 2457 1 4 . 1 1 41 41 ASP HA H 41 4.618 4.618 4.705 -0.087 19079 2458 1 4 . 1 1 41 41 ASP CA C 41 54.808 54.808 54.532 0.276 19079 2459 1 4 . 1 1 41 41 ASP CB C 41 41.299 41.299 40.777 0.522 19079 2460 1 4 . 1 1 41 41 ASP H H 41 8.496 8.496 8.352 0.144 19079 2461 1 4 . 1 1 42 42 GLN N N 42 118.506 118.506 119.430 -0.924 19079 2462 1 4 . 1 1 42 42 GLN HA H 42 4.900 4.900 4.551 0.349 19079 2463 1 4 . 1 1 42 42 GLN CA C 42 52.529 52.529 52.873 -0.344 19079 2464 1 4 . 1 1 42 42 GLN CB C 42 30.580 30.580 28.857 1.724 19079 2465 1 4 . 1 1 42 42 GLN H H 42 7.592 7.592 7.789 -0.197 19079 2466 1 4 . 1 1 43 43 PRO HA H 43 4.438 4.438 4.686 -0.248 19079 2467 1 4 . 1 1 43 43 PRO CA C 43 63.283 63.283 62.851 0.432 19079 2468 1 4 . 1 1 43 43 PRO CB C 43 32.178 32.178 32.310 -0.132 19079 2469 1 4 . 1 1 44 44 GLY N N 44 109.062 109.062 111.768 -2.706 19079 2470 1 4 . 1 1 44 44 GLY CA C 44 45.265 45.265 43.785 1.480 19079 2471 1 4 . 1 1 44 44 GLY H H 44 8.249 8.249 8.366 -0.117 19079 2472 1 4 . 1 1 45 45 PRO HA H 45 4.535 4.535 4.474 0.061 19079 2473 1 4 . 1 1 45 45 PRO CA C 45 63.511 63.511 62.705 0.806 19079 2474 1 4 . 1 1 45 45 PRO CB C 45 33.193 33.193 32.291 0.902 19079 2475 1 4 . 1 1 46 46 ASP N N 46 121.254 121.254 116.628 4.626 19079 2476 1 4 . 1 1 46 46 ASP HA H 46 4.784 4.784 4.207 0.577 19079 2477 1 4 . 1 1 46 46 ASP C C 46 174.555 174.555 174.295 0.260 19079 2478 1 4 . 1 1 46 46 ASP CA C 46 55.268 55.268 54.792 0.476 19079 2479 1 4 . 1 1 46 46 ASP CB C 46 43.360 43.360 41.392 1.968 19079 2480 1 4 . 1 1 46 46 ASP H H 46 8.533 8.533 8.387 0.146 19079 2481 1 4 . 1 1 47 47 ASN N N 47 118.452 118.452 121.331 -2.879 19079 2482 1 4 . 1 1 47 47 ASN HA H 47 4.912 4.912 4.923 -0.011 19079 2483 1 4 . 1 1 47 47 ASN C C 47 172.394 172.394 174.487 -2.093 19079 2484 1 4 . 1 1 47 47 ASN CA C 47 52.877 52.877 51.747 1.130 19079 2485 1 4 . 1 1 47 47 ASN CB C 47 42.185 42.185 39.924 2.261 19079 2486 1 4 . 1 1 47 47 ASN H H 47 8.668 8.668 8.343 0.325 19079 2487 1 4 . 1 1 48 48 ILE N N 48 126.910 126.910 126.189 0.721 19079 2488 1 4 . 1 1 48 48 ILE HA H 48 5.269 5.269 3.938 1.331 19079 2489 1 4 . 1 1 48 48 ILE CA C 48 57.457 57.457 61.163 -3.706 19079 2490 1 4 . 1 1 48 48 ILE CB C 48 39.411 39.411 37.279 2.132 19079 2491 1 4 . 1 1 48 48 ILE H H 48 8.377 8.377 8.353 0.024 19079 2492 1 4 . 1 1 49 49 PRO HA H 49 4.571 4.571 4.456 0.115 19079 2493 1 4 . 1 1 49 49 PRO CA C 49 62.019 62.019 62.415 -0.396 19079 2494 1 4 . 1 1 49 49 PRO CB C 49 34.068 34.068 32.894 1.174 19079 2495 1 4 . 1 1 50 50 ASP N N 50 117.512 117.512 118.061 -0.549 19079 2496 1 4 . 1 1 50 50 ASP HA H 50 4.847 4.847 4.822 0.025 19079 2497 1 4 . 1 1 50 50 ASP C C 50 175.105 175.105 174.943 0.162 19079 2498 1 4 . 1 1 50 50 ASP CA C 50 52.186 52.186 53.641 -1.455 19079 2499 1 4 . 1 1 50 50 ASP CB C 50 40.206 40.206 41.014 -0.808 19079 2500 1 4 . 1 1 50 50 ASP H H 50 7.928 7.928 8.537 -0.609 19079 2501 1 4 . 1 1 51 51 CYS N N 51 117.841 117.841 118.071 -0.230 19079 2502 1 4 . 1 1 51 51 CYS HA H 51 4.645 4.645 4.795 -0.150 19079 2503 1 4 . 1 1 51 51 CYS C C 51 173.952 173.952 173.519 0.433 19079 2504 1 4 . 1 1 51 51 CYS CA C 51 57.079 57.079 57.453 -0.374 19079 2505 1 4 . 1 1 51 51 CYS CB C 51 31.834 31.834 30.029 1.805 19079 2506 1 4 . 1 1 51 51 CYS H H 51 6.998 6.998 7.753 -0.755 19079 2507 1 4 . 1 1 52 52 ASP N N 52 113.831 113.831 123.985 -10.154 19079 2508 1 4 . 1 1 52 52 ASP HA H 52 4.790 4.790 4.674 0.116 19079 2509 1 4 . 1 1 52 52 ASP C C 52 177.522 177.522 175.198 2.324 19079 2510 1 4 . 1 1 52 52 ASP CA C 52 52.266 52.266 52.796 -0.530 19079 2511 1 4 . 1 1 52 52 ASP CB C 52 41.108 41.108 38.927 2.181 19079 2512 1 4 . 1 1 52 52 ASP H H 52 7.839 7.839 8.508 -0.669 19079 2513 1 4 . 1 1 53 53 CYS N N 53 120.924 120.924 120.546 0.378 19079 2514 1 4 . 1 1 53 53 CYS HA H 53 4.176 4.176 4.225 -0.049 19079 2515 1 4 . 1 1 53 53 CYS C C 53 177.320 177.320 175.743 1.577 19079 2516 1 4 . 1 1 53 53 CYS CA C 53 62.456 62.456 59.596 2.860 19079 2517 1 4 . 1 1 53 53 CYS CB C 53 31.077 31.077 27.792 3.285 19079 2518 1 4 . 1 1 53 53 CYS H H 53 8.180 8.180 8.384 -0.204 19079 2519 1 4 . 1 1 54 54 THR N N 54 108.381 108.381 113.270 -4.889 19079 2520 1 4 . 1 1 54 54 THR HA H 54 4.168 4.168 4.186 -0.018 19079 2521 1 4 . 1 1 54 54 THR C C 54 172.044 172.044 175.091 -3.047 19079 2522 1 4 . 1 1 54 54 THR CA C 54 60.645 60.645 62.985 -2.340 19079 2523 1 4 . 1 1 54 54 THR CB C 54 69.425 69.425 69.125 0.300 19079 2524 1 4 . 1 1 54 54 THR H H 54 8.728 8.728 8.064 0.664 19079 2525 1 4 . 1 1 55 55 SER N N 55 114.465 114.465 120.331 -5.866 19079 2526 1 4 . 1 1 55 55 SER HA H 55 4.906 4.906 4.538 0.368 19079 2527 1 4 . 1 1 55 55 SER C C 55 172.897 172.897 174.457 -1.560 19079 2528 1 4 . 1 1 55 55 SER CA C 55 56.279 56.279 58.295 -2.016 19079 2529 1 4 . 1 1 55 55 SER CB C 55 66.156 66.156 63.011 3.145 19079 2530 1 4 . 1 1 55 55 SER H H 55 7.433 7.433 8.108 -0.675 19079 2531 1 4 . 1 1 56 56 GLY N N 56 106.492 106.492 113.612 -7.120 19079 2532 1 4 . 1 1 56 56 GLY C C 56 172.400 172.400 172.568 -0.168 19079 2533 1 4 . 1 1 56 56 GLY CA C 56 46.778 46.778 44.498 2.280 19079 2534 1 4 . 1 1 56 56 GLY H H 56 8.431 8.431 8.533 -0.102 19079 2535 1 4 . 1 1 57 57 CYS N N 57 123.907 123.907 118.041 5.866 19079 2536 1 4 . 1 1 57 57 CYS HA H 57 5.755 5.755 5.707 0.048 19079 2537 1 4 . 1 1 57 57 CYS C C 57 171.012 171.012 173.044 -2.032 19079 2538 1 4 . 1 1 57 57 CYS CA C 57 54.317 54.317 56.840 -2.523 19079 2539 1 4 . 1 1 57 57 CYS CB C 57 32.040 32.040 30.130 1.911 19079 2540 1 4 . 1 1 57 57 CYS H H 57 9.782 9.782 8.749 1.033 19079 2541 1 4 . 1 1 58 58 TYR N N 58 121.251 121.251 121.771 -0.520 19079 2542 1 4 . 1 1 58 58 TYR HA H 58 6.413 6.413 5.631 0.782 19079 2543 1 4 . 1 1 58 58 TYR C C 58 172.177 172.177 173.457 -1.280 19079 2544 1 4 . 1 1 58 58 TYR CA C 58 54.179 54.179 54.320 -0.141 19079 2545 1 4 . 1 1 58 58 TYR CB C 58 44.751 44.751 41.755 2.996 19079 2546 1 4 . 1 1 58 58 TYR H H 58 9.324 9.324 8.856 0.468 19079 2547 1 4 . 1 1 59 59 TYR N N 59 119.921 119.921 124.968 -5.047 19079 2548 1 4 . 1 1 59 59 TYR HA H 59 3.155 3.155 3.611 -0.456 19079 2549 1 4 . 1 1 59 59 TYR C C 59 173.490 173.490 174.295 -0.805 19079 2550 1 4 . 1 1 59 59 TYR CA C 59 56.439 56.439 57.376 -0.937 19079 2551 1 4 . 1 1 59 59 TYR CB C 59 38.280 38.280 37.220 1.060 19079 2552 1 4 . 1 1 59 59 TYR H H 59 7.851 7.851 7.698 0.153 19079 2553 1 4 . 1 1 60 60 SER N N 60 122.333 122.333 121.979 0.354 19079 2554 1 4 . 1 1 60 60 SER HA H 60 4.286 4.286 4.097 0.189 19079 2555 1 4 . 1 1 60 60 SER C C 60 174.282 174.282 174.696 -0.414 19079 2556 1 4 . 1 1 60 60 SER CA C 60 54.201 54.201 56.981 -2.780 19079 2557 1 4 . 1 1 60 60 SER CB C 60 63.429 63.429 63.554 -0.125 19079 2558 1 4 . 1 1 60 60 SER H H 60 7.184 7.184 7.999 -0.815 19079 2559 1 4 . 1 1 61 61 ARG N N 61 131.876 131.876 129.290 2.586 19079 2560 1 4 . 1 1 61 61 ARG HA H 61 3.755 3.755 3.913 -0.158 19079 2561 1 4 . 1 1 61 61 ARG C C 61 179.454 179.454 176.924 2.530 19079 2562 1 4 . 1 1 61 61 ARG CA C 61 58.733 58.733 58.322 0.411 19079 2563 1 4 . 1 1 61 61 ARG CB C 61 29.216 29.216 30.262 -1.046 19079 2564 1 4 . 1 1 61 61 ARG H H 61 9.058 9.058 8.899 0.159 19079 2565 1 4 . 1 1 62 62 SER N N 62 115.806 115.806 114.423 1.383 19079 2566 1 4 . 1 1 62 62 SER HA H 62 4.021 4.021 4.250 -0.229 19079 2567 1 4 . 1 1 62 62 SER C C 62 177.405 177.405 175.045 2.360 19079 2568 1 4 . 1 1 62 62 SER CA C 62 60.787 60.787 60.929 -0.142 19079 2569 1 4 . 1 1 62 62 SER CB C 62 60.994 60.994 63.247 -2.253 19079 2570 1 4 . 1 1 62 62 SER H H 62 8.933 8.933 8.385 0.548 19079 2571 1 4 . 1 1 63 63 LEU N N 63 120.142 120.142 120.034 0.108 19079 2572 1 4 . 1 1 63 63 LEU HA H 63 4.315 4.315 4.534 -0.219 19079 2573 1 4 . 1 1 63 63 LEU C C 63 175.462 175.462 176.579 -1.117 19079 2574 1 4 . 1 1 63 63 LEU CA C 63 54.589 54.589 54.079 0.510 19079 2575 1 4 . 1 1 63 63 LEU CB C 63 41.583 41.583 42.079 -0.496 19079 2576 1 4 . 1 1 63 63 LEU H H 63 7.372 7.372 7.072 0.300 19079 2577 1 4 . 1 1 64 64 ASP N N 64 124.723 124.723 119.521 5.202 19079 2578 1 4 . 1 1 64 64 ASP HA H 64 4.308 4.308 4.061 0.247 19079 2579 1 4 . 1 1 64 64 ASP C C 64 174.405 174.405 174.449 -0.044 19079 2580 1 4 . 1 1 64 64 ASP CA C 64 54.269 54.269 55.065 -0.796 19079 2581 1 4 . 1 1 64 64 ASP CB C 64 39.892 39.892 40.226 -0.334 19079 2582 1 4 . 1 1 64 64 ASP H H 64 8.122 8.122 7.828 0.294 19079 2583 1 4 . 1 1 65 65 ARG N N 65 111.932 111.932 113.504 -1.572 19079 2584 1 4 . 1 1 65 65 ARG HA H 65 4.648 4.648 4.625 0.023 19079 2585 1 4 . 1 1 65 65 ARG C C 65 172.842 172.842 173.990 -1.148 19079 2586 1 4 . 1 1 65 65 ARG CA C 65 54.327 54.327 54.451 -0.124 19079 2587 1 4 . 1 1 65 65 ARG CB C 65 33.013 33.013 31.273 1.740 19079 2588 1 4 . 1 1 65 65 ARG H H 65 7.434 7.434 7.553 -0.119 19079 2589 1 4 . 1 1 66 66 TYR N N 66 121.286 121.286 122.311 -1.025 19079 2590 1 4 . 1 1 66 66 TYR HA H 66 4.821 4.821 4.767 0.054 19079 2591 1 4 . 1 1 66 66 TYR C C 66 176.123 176.123 176.413 -0.290 19079 2592 1 4 . 1 1 66 66 TYR CA C 66 56.752 56.752 59.346 -2.594 19079 2593 1 4 . 1 1 66 66 TYR CB C 66 41.877 41.877 39.198 2.679 19079 2594 1 4 . 1 1 66 66 TYR H H 66 8.068 8.068 8.718 -0.650 19079 2595 1 4 . 1 1 67 67 ILE N N 67 119.080 119.080 120.134 -1.054 19079 2596 1 4 . 1 1 67 67 ILE HA H 67 4.620 4.620 4.835 -0.215 19079 2597 1 4 . 1 1 67 67 ILE CA C 67 57.840 57.840 57.206 0.634 19079 2598 1 4 . 1 1 67 67 ILE CB C 67 41.191 41.191 41.458 -0.267 19079 2599 1 4 . 1 1 67 67 ILE H H 67 8.640 8.640 8.622 0.018 19079 2600 1 4 . 1 1 68 68 PRO HA H 68 4.772 4.772 4.969 -0.197 19079 2601 1 4 . 1 1 68 68 PRO CA C 68 62.709 62.709 62.726 -0.017 19079 2602 1 4 . 1 1 68 68 PRO CB C 68 32.923 32.923 31.559 1.364 19079 2603 1 4 . 1 1 69 69 VAL N N 69 120.668 120.668 119.087 1.581 19079 2604 1 4 . 1 1 69 69 VAL HA H 69 4.764 4.764 4.598 0.166 19079 2605 1 4 . 1 1 69 69 VAL C C 69 171.299 171.299 173.822 -2.523 19079 2606 1 4 . 1 1 69 69 VAL CA C 69 60.758 60.758 59.475 1.283 19079 2607 1 4 . 1 1 69 69 VAL CB C 69 36.158 36.158 36.355 -0.197 19079 2608 1 4 . 1 1 69 69 VAL H H 69 8.866 8.866 8.673 0.193 19079 2609 1 4 . 1 1 70 70 GLU N N 70 127.352 127.352 121.218 6.134 19079 2610 1 4 . 1 1 70 70 GLU HA H 70 4.694 4.694 4.530 0.164 19079 2611 1 4 . 1 1 70 70 GLU C C 70 176.084 176.084 175.547 0.537 19079 2612 1 4 . 1 1 70 70 GLU CA C 70 55.438 55.438 54.704 0.734 19079 2613 1 4 . 1 1 70 70 GLU CB C 70 31.941 31.941 31.491 0.449 19079 2614 1 4 . 1 1 70 70 GLU H H 70 8.303 8.303 8.455 -0.152 19079 2615 1 4 . 1 1 71 71 CYS N N 71 118.985 118.985 123.079 -4.094 19079 2616 1 4 . 1 1 71 71 CYS HA H 71 5.283 5.283 4.949 0.334 19079 2617 1 4 . 1 1 71 71 CYS C C 71 173.987 173.987 173.893 0.094 19079 2618 1 4 . 1 1 71 71 CYS CA C 71 56.927 56.927 56.789 0.138 19079 2619 1 4 . 1 1 71 71 CYS CB C 71 32.056 32.056 31.821 0.235 19079 2620 1 4 . 1 1 71 71 CYS H H 71 8.044 8.044 8.005 0.039 19079 2621 1 4 . 1 1 72 72 GLU N N 72 119.188 119.188 118.489 0.699 19079 2622 1 4 . 1 1 72 72 GLU HA H 72 4.550 4.550 4.431 0.119 19079 2623 1 4 . 1 1 72 72 GLU C C 72 175.540 175.540 174.678 0.862 19079 2624 1 4 . 1 1 72 72 GLU CA C 72 54.422 54.422 54.295 0.127 19079 2625 1 4 . 1 1 72 72 GLU CB C 72 32.723 32.723 31.762 0.961 19079 2626 1 4 . 1 1 72 72 GLU H H 72 8.651 8.651 8.269 0.382 19079 2627 1 4 . 1 1 73 73 ALA N N 73 128.127 128.127 127.674 0.453 19079 2628 1 4 . 1 1 73 73 ALA HA H 73 4.894 4.894 4.226 0.668 19079 2629 1 4 . 1 1 73 73 ALA C C 73 177.065 177.065 176.823 0.242 19079 2630 1 4 . 1 1 73 73 ALA CA C 73 51.934 51.934 51.979 -0.045 19079 2631 1 4 . 1 1 73 73 ALA CB C 73 19.744 19.744 18.855 0.889 19079 2632 1 4 . 1 1 73 73 ALA H H 73 8.825 8.825 8.607 0.218 19079 2633 1 4 . 1 1 74 74 HIS N N 74 120.049 120.049 126.037 -5.988 19079 2634 1 4 . 1 1 74 74 HIS HA H 74 4.730 4.730 4.569 0.161 19079 2635 1 4 . 1 1 74 74 HIS C C 74 173.973 173.973 175.178 -1.205 19079 2636 1 4 . 1 1 74 74 HIS CA C 74 54.940 54.940 55.065 -0.125 19079 2637 1 4 . 1 1 74 74 HIS CB C 74 32.641 32.641 31.284 1.357 19079 2638 1 4 . 1 1 74 74 HIS H H 74 8.813 8.813 8.928 -0.115 19079 2639 1 4 . 1 1 75 75 ASP N N 75 125.469 125.469 126.399 -0.930 19079 2640 1 4 . 1 1 75 75 ASP HA H 75 4.619 4.619 4.448 0.171 19079 2641 1 4 . 1 1 75 75 ASP CA C 75 57.576 57.576 57.370 0.206 19079 2642 1 4 . 1 1 75 75 ASP CB C 75 42.215 42.215 41.267 0.948 19079 2643 1 4 . 1 1 75 75 ASP H H 75 8.951 8.951 8.956 -0.005 19079 2644 1 4 . 1 1 76 76 TRP N N 76 113.768 113.768 114.638 -0.870 19079 2645 1 4 . 1 1 76 76 TRP HA H 76 5.455 5.455 5.042 0.413 19079 2646 1 4 . 1 1 76 76 TRP CA C 76 54.833 54.833 54.630 0.203 19079 2647 1 4 . 1 1 76 76 TRP CB C 76 31.701 31.701 31.563 0.138 19079 2648 1 4 . 1 1 76 76 TRP H H 76 7.574 7.574 6.993 0.581 19079 2649 1 4 . 1 1 77 77 TYR N N 77 122.650 122.650 119.874 2.776 19079 2650 1 4 . 1 1 77 77 TYR CA C 77 57.248 57.248 56.144 1.104 19079 2651 1 4 . 1 1 77 77 TYR CB C 77 33.700 33.700 41.609 -7.909 19079 2652 1 4 . 1 1 77 77 TYR H H 77 8.981 8.981 8.316 0.665 19079 2653 1 4 . 1 1 78 78 PRO HA H 78 4.493 4.493 4.823 -0.330 19079 2654 1 4 . 1 1 78 78 PRO CA C 78 62.242 62.242 62.691 -0.449 19079 2655 1 4 . 1 1 78 78 PRO CB C 78 31.237 31.237 32.522 -1.285 19079 2656 1 4 . 1 1 79 79 VAL N N 79 123.871 123.871 122.884 0.987 19079 2657 1 4 . 1 1 79 79 VAL HA H 79 3.953 3.953 4.523 -0.570 19079 2658 1 4 . 1 1 79 79 VAL C C 79 174.991 174.991 174.465 0.526 19079 2659 1 4 . 1 1 79 79 VAL CA C 79 61.545 61.545 59.682 1.863 19079 2660 1 4 . 1 1 79 79 VAL CB C 79 33.090 33.090 34.667 -1.577 19079 2661 1 4 . 1 1 79 79 VAL H H 79 8.512 8.512 9.013 -0.501 19079 2662 1 4 . 1 1 80 80 GLU N N 80 124.050 124.050 128.502 -4.452 19079 2663 1 4 . 1 1 80 80 GLU HA H 80 4.072 4.072 4.190 -0.118 19079 2664 1 4 . 1 1 80 80 GLU C C 80 175.607 175.607 175.498 0.109 19079 2665 1 4 . 1 1 80 80 GLU CA C 80 56.291 56.291 56.422 -0.131 19079 2666 1 4 . 1 1 80 80 GLU CB C 80 30.272 30.272 30.130 0.142 19079 2667 1 4 . 1 1 80 80 GLU H H 80 8.068 8.068 8.721 -0.653 19079 2668 1 4 . 1 1 81 81 GLU N N 81 120.701 120.701 126.278 -5.577 19079 2669 1 4 . 1 1 81 81 GLU HA H 81 4.194 4.194 4.289 -0.095 19079 2670 1 4 . 1 1 81 81 GLU C C 81 175.817 175.817 176.399 -0.582 19079 2671 1 4 . 1 1 81 81 GLU CA C 81 57.390 57.390 57.559 -0.169 19079 2672 1 4 . 1 1 81 81 GLU CB C 81 30.713 30.713 28.926 1.787 19079 2673 1 4 . 1 1 81 81 GLU H H 81 8.751 8.751 8.651 0.100 19079 2674 1 4 . 1 1 82 82 THR N N 82 115.162 115.162 118.787 -3.625 19079 2675 1 4 . 1 1 82 82 THR HA H 82 4.688 4.688 4.468 0.220 19079 2676 1 4 . 1 1 82 82 THR CA C 82 60.041 60.041 61.609 -1.568 19079 2677 1 4 . 1 1 82 82 THR CB C 82 73.866 73.866 70.060 3.806 19079 2678 1 4 . 1 1 82 82 THR H H 82 8.631 8.631 8.640 -0.009 19079 2679 1 4 . 1 1 83 83 GLN N N 83 116.650 116.650 118.239 -1.589 19079 2680 1 4 . 1 1 83 83 GLN HA H 83 4.629 4.629 4.013 0.616 19079 2681 1 4 . 1 1 83 83 GLN CA C 83 57.643 57.643 58.428 -0.784 19079 2682 1 4 . 1 1 83 83 GLN CB C 83 30.537 30.537 28.077 2.460 19079 2683 1 4 . 1 1 83 83 GLN H H 83 8.714 8.714 8.958 -0.244 19079 2684 1 4 . 1 1 86 86 PRO HA H 86 4.779 4.779 4.540 0.239 19079 2685 1 4 . 1 1 86 86 PRO CA C 86 62.018 62.018 62.519 -0.501 19079 2686 1 4 . 1 1 86 86 PRO CB C 86 32.818 32.818 32.779 0.039 19079 2687 1 4 . 1 1 87 87 LYS N N 87 123.136 123.136 120.530 2.606 19079 2688 1 4 . 1 1 87 87 LYS HA H 87 4.545 4.545 4.495 0.050 19079 2689 1 4 . 1 1 87 87 LYS C C 87 176.411 176.411 176.661 -0.250 19079 2690 1 4 . 1 1 87 87 LYS CA C 87 57.800 57.800 57.322 0.478 19079 2691 1 4 . 1 1 87 87 LYS CB C 87 32.322 32.322 32.958 -0.636 19079 2692 1 4 . 1 1 87 87 LYS H H 87 8.936 8.936 8.408 0.528 19079 2693 1 4 . 1 1 88 88 HIS N N 88 119.788 119.788 123.637 -3.849 19079 2694 1 4 . 1 1 88 88 HIS HA H 88 4.973 4.973 4.679 0.294 19079 2695 1 4 . 1 1 88 88 HIS C C 88 171.431 171.431 173.127 -1.696 19079 2696 1 4 . 1 1 88 88 HIS CA C 88 55.171 55.171 56.075 -0.903 19079 2697 1 4 . 1 1 88 88 HIS CB C 88 29.695 29.695 32.668 -2.973 19079 2698 1 4 . 1 1 88 88 HIS H H 88 8.490 8.490 8.441 0.049 19079 2699 1 4 . 1 1 89 89 ILE N N 89 120.371 120.371 120.202 0.169 19079 2700 1 4 . 1 1 89 89 ILE HA H 89 4.453 4.453 4.723 -0.270 19079 2701 1 4 . 1 1 89 89 ILE C C 89 176.167 176.167 175.301 0.866 19079 2702 1 4 . 1 1 89 89 ILE CA C 89 60.066 60.066 59.982 0.084 19079 2703 1 4 . 1 1 89 89 ILE CB C 89 38.855 38.855 40.079 -1.224 19079 2704 1 4 . 1 1 89 89 ILE H H 89 8.417 8.417 8.272 0.145 19079 2705 1 4 . 1 1 90 90 GLN N N 90 122.913 122.913 123.585 -0.672 19079 2706 1 4 . 1 1 90 90 GLN HA H 90 5.313 5.313 4.920 0.393 19079 2707 1 4 . 1 1 90 90 GLN CA C 90 54.194 54.194 54.257 -0.063 19079 2708 1 4 . 1 1 90 90 GLN CB C 90 32.780 32.780 32.842 -0.062 19079 2709 1 4 . 1 1 90 90 GLN H H 90 8.286 8.286 8.935 -0.649 19079 2710 1 4 . 1 1 91 91 TYR N N 91 117.779 117.779 116.806 0.973 19079 2711 1 4 . 1 1 91 91 TYR HA H 91 5.394 5.394 4.895 0.499 19079 2712 1 4 . 1 1 91 91 TYR C C 91 175.762 175.762 175.290 0.472 19079 2713 1 4 . 1 1 91 91 TYR CA C 91 56.672 56.672 57.363 -0.691 19079 2714 1 4 . 1 1 91 91 TYR CB C 91 41.701 41.701 42.662 -0.961 19079 2715 1 4 . 1 1 91 91 TYR H H 91 8.086 8.086 8.418 -0.332 19079 2716 1 4 . 1 1 92 92 ASN N N 92 113.182 113.182 115.787 -2.605 19079 2717 1 4 . 1 1 92 92 ASN HA H 92 4.558 4.558 4.369 0.189 19079 2718 1 4 . 1 1 92 92 ASN C C 92 172.369 172.369 173.939 -1.570 19079 2719 1 4 . 1 1 92 92 ASN CA C 92 55.522 55.522 54.042 1.480 19079 2720 1 4 . 1 1 92 92 ASN CB C 92 37.732 37.732 36.477 1.255 19079 2721 1 4 . 1 1 92 92 ASN H H 92 8.529 8.529 8.744 -0.215 19079 2722 1 4 . 1 1 93 93 LEU N N 93 117.359 117.359 119.395 -2.036 19079 2723 1 4 . 1 1 93 93 LEU HA H 93 5.455 5.455 5.087 0.368 19079 2724 1 4 . 1 1 93 93 LEU C C 93 177.709 177.709 175.444 2.265 19079 2725 1 4 . 1 1 93 93 LEU CA C 93 54.341 54.341 54.066 0.275 19079 2726 1 4 . 1 1 93 93 LEU CB C 93 47.006 47.006 43.960 3.046 19079 2727 1 4 . 1 1 93 93 LEU H H 93 7.846 7.846 8.338 -0.492 19079 2728 1 4 . 1 1 94 94 LEU N N 94 123.298 123.298 125.211 -1.913 19079 2729 1 4 . 1 1 94 94 LEU HA H 94 5.014 5.014 5.003 0.011 19079 2730 1 4 . 1 1 94 94 LEU C C 94 175.771 175.771 176.212 -0.441 19079 2731 1 4 . 1 1 94 94 LEU CA C 94 53.889 53.889 53.263 0.626 19079 2732 1 4 . 1 1 94 94 LEU CB C 94 44.784 44.784 42.253 2.531 19079 2733 1 4 . 1 1 94 94 LEU H H 94 9.155 9.155 8.749 0.406 19079 2734 1 4 . 1 1 95 95 ILE N N 95 121.585 121.585 124.581 -2.996 19079 2735 1 4 . 1 1 95 95 ILE HA H 95 5.166 5.166 4.668 0.498 19079 2736 1 4 . 1 1 95 95 ILE C C 95 175.885 175.885 175.518 0.367 19079 2737 1 4 . 1 1 95 95 ILE CA C 95 59.795 59.795 59.122 0.673 19079 2738 1 4 . 1 1 95 95 ILE CB C 95 39.820 39.820 38.453 1.367 19079 2739 1 4 . 1 1 95 95 ILE H H 95 8.920 8.920 7.399 1.521 19079 2740 1 4 . 1 1 96 96 GLY N N 96 115.891 115.891 113.640 2.251 19079 2741 1 4 . 1 1 96 96 GLY C C 96 171.937 171.937 171.962 -0.025 19079 2742 1 4 . 1 1 96 96 GLY CA C 96 44.865 44.865 44.265 0.600 19079 2743 1 4 . 1 1 96 96 GLY H H 96 9.223 9.223 8.574 0.649 19079 2744 1 4 . 1 1 97 97 GLU N N 97 119.340 119.340 122.281 -2.941 19079 2745 1 4 . 1 1 97 97 GLU HA H 97 4.831 4.831 5.163 -0.332 19079 2746 1 4 . 1 1 97 97 GLU C C 97 175.567 175.567 175.730 -0.163 19079 2747 1 4 . 1 1 97 97 GLU CA C 97 55.736 55.736 54.470 1.266 19079 2748 1 4 . 1 1 97 97 GLU CB C 97 31.009 31.009 31.233 -0.224 19079 2749 1 4 . 1 1 97 97 GLU H H 97 8.197 8.197 8.132 0.065 19079 2750 1 4 . 1 1 98 98 GLY N N 98 113.912 113.912 111.396 2.516 19079 2751 1 4 . 1 1 98 98 GLY CA C 98 45.089 45.089 42.943 2.146 19079 2752 1 4 . 1 1 98 98 GLY H H 98 7.767 7.767 8.011 -0.244 19079 2753 1 4 . 1 1 99 99 PRO HA H 99 4.347 4.347 4.399 -0.052 19079 2754 1 4 . 1 1 99 99 PRO CA C 99 62.396 62.396 63.289 -0.893 19079 2755 1 4 . 1 1 99 99 PRO CB C 99 32.558 32.558 31.942 0.616 19079 2756 1 4 . 1 1 100 100 CYS N N 100 122.972 122.972 115.463 7.509 19079 2757 1 4 . 1 1 100 100 CYS HA H 100 4.567 4.567 4.272 0.295 19079 2758 1 4 . 1 1 100 100 CYS C C 100 172.077 172.077 174.722 -2.645 19079 2759 1 4 . 1 1 100 100 CYS CA C 100 60.097 60.097 59.247 0.850 19079 2760 1 4 . 1 1 100 100 CYS CB C 100 28.063 28.063 25.770 2.292 19079 2761 1 4 . 1 1 100 100 CYS H H 100 8.219 8.219 8.047 0.172 19079 2762 1 4 . 1 1 101 101 VAL N N 101 123.973 123.973 116.973 7.000 19079 2763 1 4 . 1 1 101 101 VAL HA H 101 4.888 4.888 4.330 0.558 19079 2764 1 4 . 1 1 101 101 VAL CA C 101 58.947 58.947 59.832 -0.885 19079 2765 1 4 . 1 1 101 101 VAL CB C 101 32.322 32.322 31.950 0.372 19079 2766 1 4 . 1 1 101 101 VAL H H 101 8.662 8.662 7.813 0.849 19079 2767 1 4 . 1 1 103 103 GLY C C 103 175.333 175.333 173.721 1.612 19079 2768 1 4 . 1 1 103 103 GLY CA C 103 45.683 45.683 45.408 0.275 19079 2769 1 4 . 1 1 104 104 ASP N N 104 121.740 121.740 119.032 2.708 19079 2770 1 4 . 1 1 104 104 ASP HA H 104 4.836 4.836 4.716 0.120 19079 2771 1 4 . 1 1 104 104 ASP C C 104 176.601 176.601 176.105 0.496 19079 2772 1 4 . 1 1 104 104 ASP CA C 104 54.700 54.700 52.757 1.943 19079 2773 1 4 . 1 1 104 104 ASP CB C 104 41.322 41.322 40.754 0.568 19079 2774 1 4 . 1 1 104 104 ASP H H 104 8.217 8.217 7.681 0.536 19079 2775 1 4 . 1 1 105 105 ALA N N 105 121.750 121.750 122.474 -0.724 19079 2776 1 4 . 1 1 105 105 ALA HA H 105 3.707 3.707 3.902 -0.195 19079 2777 1 4 . 1 1 105 105 ALA C C 105 175.218 175.218 178.098 -2.880 19079 2778 1 4 . 1 1 105 105 ALA CA C 105 54.002 54.002 53.490 0.512 19079 2779 1 4 . 1 1 105 105 ALA CB C 105 18.021 18.021 18.070 -0.049 19079 2780 1 4 . 1 1 105 105 ALA H H 105 7.672 7.672 8.031 -0.359 19079 2781 1 4 . 1 1 106 106 GLY N N 106 110.675 110.675 111.522 -0.847 19079 2782 1 4 . 1 1 106 106 GLY C C 106 174.112 174.112 174.616 -0.504 19079 2783 1 4 . 1 1 106 106 GLY CA C 106 45.354 45.354 44.582 0.772 19079 2784 1 4 . 1 1 106 106 GLY H H 106 8.781 8.781 7.882 0.899 19079 2785 1 4 . 1 1 107 107 GLY N N 107 104.052 104.052 110.400 -6.348 19079 2786 1 4 . 1 1 107 107 GLY C C 107 173.970 173.970 174.119 -0.149 19079 2787 1 4 . 1 1 107 107 GLY CA C 107 46.405 46.405 45.343 1.062 19079 2788 1 4 . 1 1 107 107 GLY H H 107 7.727 7.727 7.876 -0.149 19079 2789 1 4 . 1 1 108 108 LYS N N 108 122.212 122.212 126.990 -4.778 19079 2790 1 4 . 1 1 108 108 LYS HA H 108 4.442 4.442 4.493 -0.051 19079 2791 1 4 . 1 1 108 108 LYS C C 108 175.056 175.056 175.578 -0.522 19079 2792 1 4 . 1 1 108 108 LYS CA C 108 58.497 58.497 56.916 1.581 19079 2793 1 4 . 1 1 108 108 LYS CB C 108 36.053 36.053 34.163 1.890 19079 2794 1 4 . 1 1 108 108 LYS H H 108 8.553 8.553 9.322 -0.769 19079 2795 1 4 . 1 1 109 109 LEU N N 109 119.300 119.300 128.180 -8.880 19079 2796 1 4 . 1 1 109 109 LEU HA H 109 4.881 4.881 5.279 -0.398 19079 2797 1 4 . 1 1 109 109 LEU C C 109 175.017 175.017 174.794 0.223 19079 2798 1 4 . 1 1 109 109 LEU CA C 109 53.372 53.372 53.795 -0.423 19079 2799 1 4 . 1 1 109 109 LEU CB C 109 43.275 43.275 43.356 -0.081 19079 2800 1 4 . 1 1 109 109 LEU H H 109 8.065 8.065 9.030 -0.965 19079 2801 1 4 . 1 1 110 110 LEU N N 110 126.757 126.757 127.894 -1.137 19079 2802 1 4 . 1 1 110 110 LEU HA H 110 5.498 5.498 4.870 0.628 19079 2803 1 4 . 1 1 110 110 LEU C C 110 176.125 176.125 175.907 0.218 19079 2804 1 4 . 1 1 110 110 LEU CA C 110 55.318 55.318 54.441 0.877 19079 2805 1 4 . 1 1 110 110 LEU CB C 110 44.799 44.799 44.042 0.757 19079 2806 1 4 . 1 1 110 110 LEU H H 110 9.450 9.450 9.170 0.280 19079 2807 1 4 . 1 1 111 111 CYS N N 111 118.897 118.897 121.097 -2.200 19079 2808 1 4 . 1 1 111 111 CYS HA H 111 5.254 5.254 4.858 0.396 19079 2809 1 4 . 1 1 111 111 CYS C C 111 177.063 177.063 175.905 1.158 19079 2810 1 4 . 1 1 111 111 CYS CA C 111 57.201 57.201 56.370 0.831 19079 2811 1 4 . 1 1 111 111 CYS CB C 111 32.532 32.532 30.935 1.597 19079 2812 1 4 . 1 1 111 111 CYS H H 111 8.575 8.575 8.739 -0.164 19079 2813 1 4 . 1 1 112 112 ARG N N 112 116.382 116.382 120.134 -3.752 19079 2814 1 4 . 1 1 112 112 ARG HA H 112 3.918 3.918 3.900 0.018 19079 2815 1 4 . 1 1 112 112 ARG C C 112 176.892 176.892 177.583 -0.691 19079 2816 1 4 . 1 1 112 112 ARG CA C 112 59.714 59.714 58.618 1.096 19079 2817 1 4 . 1 1 112 112 ARG CB C 112 29.874 29.874 29.322 0.552 19079 2818 1 4 . 1 1 112 112 ARG H H 112 8.350 8.350 8.657 -0.307 19079 2819 1 4 . 1 1 113 113 HIS N N 113 121.579 121.579 114.192 7.387 19079 2820 1 4 . 1 1 113 113 HIS HA H 113 4.480 4.480 4.701 -0.221 19079 2821 1 4 . 1 1 113 113 HIS C C 113 175.439 175.439 175.708 -0.269 19079 2822 1 4 . 1 1 113 113 HIS CA C 113 58.739 58.739 56.365 2.374 19079 2823 1 4 . 1 1 113 113 HIS CB C 113 31.050 31.050 30.783 0.267 19079 2824 1 4 . 1 1 113 113 HIS H H 113 10.445 10.445 7.197 3.248 19079 2825 1 4 . 1 1 114 114 GLY N N 114 108.273 108.273 105.533 2.740 19079 2826 1 4 . 1 1 114 114 GLY C C 114 169.307 169.307 172.794 -3.487 19079 2827 1 4 . 1 1 114 114 GLY CA C 114 45.413 45.413 44.918 0.495 19079 2828 1 4 . 1 1 114 114 GLY H H 114 7.689 7.689 7.436 0.253 19079 2829 1 4 . 1 1 115 115 VAL N N 115 120.998 120.998 121.842 -0.844 19079 2830 1 4 . 1 1 115 115 VAL HA H 115 4.476 4.476 4.033 0.443 19079 2831 1 4 . 1 1 115 115 VAL C C 115 173.881 173.881 176.454 -2.573 19079 2832 1 4 . 1 1 115 115 VAL CA C 115 62.513 62.513 64.610 -2.097 19079 2833 1 4 . 1 1 115 115 VAL CB C 115 32.113 32.113 32.069 0.044 19079 2834 1 4 . 1 1 115 115 VAL H H 115 8.455 8.455 8.447 0.008 19079 2835 1 4 . 1 1 116 116 ILE N N 116 114.566 114.566 117.877 -3.311 19079 2836 1 4 . 1 1 116 116 ILE HA H 116 4.603 4.603 4.654 -0.051 19079 2837 1 4 . 1 1 116 116 ILE C C 116 175.445 175.445 175.165 0.280 19079 2838 1 4 . 1 1 116 116 ILE CA C 116 61.470 61.470 60.250 1.220 19079 2839 1 4 . 1 1 116 116 ILE CB C 116 40.782 40.782 39.372 1.410 19079 2840 1 4 . 1 1 116 116 ILE H H 116 8.460 8.460 8.948 -0.488 19079 2841 1 4 . 1 1 117 117 GLY N N 117 106.195 106.195 107.783 -1.588 19079 2842 1 4 . 1 1 117 117 GLY C C 117 171.664 171.664 172.057 -0.393 19079 2843 1 4 . 1 1 117 117 GLY CA C 117 46.303 46.303 45.722 0.581 19079 2844 1 4 . 1 1 117 117 GLY H H 117 7.827 7.827 7.499 0.328 19079 2845 1 4 . 1 1 118 118 ILE N N 118 109.501 109.501 115.186 -5.685 19079 2846 1 4 . 1 1 118 118 ILE HA H 118 5.611 5.611 5.510 0.101 19079 2847 1 4 . 1 1 118 118 ILE C C 118 176.642 176.642 175.301 1.341 19079 2848 1 4 . 1 1 118 118 ILE CA C 118 58.787 58.787 57.866 0.921 19079 2849 1 4 . 1 1 118 118 ILE CB C 118 43.351 43.351 41.791 1.560 19079 2850 1 4 . 1 1 118 118 ILE H H 118 7.571 7.571 8.149 -0.578 19079 2851 1 4 . 1 1 119 119 ILE N N 119 124.258 124.258 119.861 4.397 19079 2852 1 4 . 1 1 119 119 ILE HA H 119 3.774 3.774 3.446 0.328 19079 2853 1 4 . 1 1 119 119 ILE C C 119 177.447 177.447 176.554 0.893 19079 2854 1 4 . 1 1 119 119 ILE CA C 119 64.399 64.399 61.650 2.749 19079 2855 1 4 . 1 1 119 119 ILE CB C 119 39.393 39.393 36.559 2.834 19079 2856 1 4 . 1 1 119 119 ILE H H 119 9.465 9.465 8.000 1.465 19079 2857 1 4 . 1 1 120 120 THR N N 120 122.153 122.153 122.974 -0.821 19079 2858 1 4 . 1 1 120 120 THR HA H 120 4.670 4.670 4.375 0.295 19079 2859 1 4 . 1 1 120 120 THR C C 120 171.416 171.416 173.851 -2.435 19079 2860 1 4 . 1 1 120 120 THR CA C 120 61.440 61.440 60.855 0.585 19079 2861 1 4 . 1 1 120 120 THR CB C 120 70.455 70.455 69.418 1.037 19079 2862 1 4 . 1 1 120 120 THR H H 120 9.400 9.400 8.103 1.297 19079 2863 1 4 . 1 1 121 121 ALA N N 121 124.014 124.014 122.488 1.526 19079 2864 1 4 . 1 1 121 121 ALA HA H 121 4.583 4.583 4.528 0.055 19079 2865 1 4 . 1 1 121 121 ALA C C 121 173.695 173.695 175.053 -1.358 19079 2866 1 4 . 1 1 121 121 ALA CA C 121 51.833 51.833 51.905 -0.072 19079 2867 1 4 . 1 1 121 121 ALA CB C 121 22.523 22.523 21.629 0.894 19079 2868 1 4 . 1 1 121 121 ALA H H 121 7.885 7.885 7.173 0.712 19079 2869 1 4 . 1 1 122 122 GLY N N 122 103.252 103.252 107.282 -4.030 19079 2870 1 4 . 1 1 122 122 GLY C C 122 172.124 172.124 172.866 -0.742 19079 2871 1 4 . 1 1 122 122 GLY CA C 122 45.917 45.917 45.059 0.858 19079 2872 1 4 . 1 1 122 122 GLY H H 122 7.828 7.828 8.158 -0.330 19079 2873 1 4 . 1 1 123 123 GLY N N 123 107.688 107.688 107.954 -0.266 19079 2874 1 4 . 1 1 123 123 GLY C C 123 174.470 174.470 172.802 1.668 19079 2875 1 4 . 1 1 123 123 GLY CA C 123 45.051 45.051 44.991 0.060 19079 2876 1 4 . 1 1 123 123 GLY H H 123 8.285 8.285 9.061 -0.776 19079 2877 1 4 . 1 1 124 124 ASP N N 124 120.288 120.288 121.907 -1.619 19079 2878 1 4 . 1 1 124 124 ASP HA H 124 4.621 4.621 4.689 -0.068 19079 2879 1 4 . 1 1 124 124 ASP C C 124 176.061 176.061 176.891 -0.830 19079 2880 1 4 . 1 1 124 124 ASP CA C 124 55.465 55.465 54.416 1.049 19079 2881 1 4 . 1 1 124 124 ASP CB C 124 40.111 40.111 40.245 -0.134 19079 2882 1 4 . 1 1 124 124 ASP H H 124 9.054 9.054 8.394 0.660 19079 2883 1 4 . 1 1 125 125 GLY N N 125 105.482 105.482 111.425 -5.943 19079 2884 1 4 . 1 1 125 125 GLY C C 125 174.566 174.566 173.543 1.023 19079 2885 1 4 . 1 1 125 125 GLY CA C 125 45.493 45.493 45.921 -0.428 19079 2886 1 4 . 1 1 125 125 GLY H H 125 8.567 8.567 8.823 -0.256 19079 2887 1 4 . 1 1 126 126 HIS N N 126 117.677 117.677 118.872 -1.195 19079 2888 1 4 . 1 1 126 126 HIS HA H 126 5.449 5.449 5.671 -0.222 19079 2889 1 4 . 1 1 126 126 HIS C C 126 172.058 172.058 173.335 -1.277 19079 2890 1 4 . 1 1 126 126 HIS CA C 126 54.653 54.653 54.148 0.505 19079 2891 1 4 . 1 1 126 126 HIS CB C 126 31.709 31.709 32.863 -1.154 19079 2892 1 4 . 1 1 126 126 HIS H H 126 7.852 7.852 7.669 0.183 19079 2893 1 4 . 1 1 127 127 VAL N N 127 121.145 121.145 124.517 -3.372 19079 2894 1 4 . 1 1 127 127 VAL HA H 127 4.230 4.230 4.533 -0.303 19079 2895 1 4 . 1 1 127 127 VAL C C 127 170.317 170.317 173.427 -3.110 19079 2896 1 4 . 1 1 127 127 VAL CA C 127 60.125 60.125 59.727 0.397 19079 2897 1 4 . 1 1 127 127 VAL CB C 127 34.681 34.681 35.289 -0.608 19079 2898 1 4 . 1 1 127 127 VAL H H 127 8.857 8.857 7.806 1.051 19079 2899 1 4 . 1 1 128 128 ALA N N 128 127.867 127.867 131.841 -3.974 19079 2900 1 4 . 1 1 128 128 ALA HA H 128 5.222 5.222 4.769 0.453 19079 2901 1 4 . 1 1 128 128 ALA C C 128 175.506 175.506 175.657 -0.151 19079 2902 1 4 . 1 1 128 128 ALA CA C 128 49.199 49.199 51.065 -1.866 19079 2903 1 4 . 1 1 128 128 ALA CB C 128 21.731 21.731 20.827 0.904 19079 2904 1 4 . 1 1 128 128 ALA H H 128 8.400 8.400 8.263 0.137 19079 2905 1 4 . 1 1 129 129 PHE N N 129 121.202 121.202 117.472 3.730 19079 2906 1 4 . 1 1 129 129 PHE HA H 129 5.301 5.301 5.083 0.218 19079 2907 1 4 . 1 1 129 129 PHE C C 129 176.082 176.082 175.403 0.679 19079 2908 1 4 . 1 1 129 129 PHE CA C 129 54.759 54.759 56.630 -1.871 19079 2909 1 4 . 1 1 129 129 PHE CB C 129 41.372 41.372 43.616 -2.244 19079 2910 1 4 . 1 1 129 129 PHE H H 129 9.689 9.689 8.172 1.517 19079 2911 1 4 . 1 1 130 130 THR N N 130 121.809 121.809 120.578 1.231 19079 2912 1 4 . 1 1 130 130 THR HA H 130 4.573 4.573 4.498 0.075 19079 2913 1 4 . 1 1 130 130 THR C C 130 173.050 173.050 174.346 -1.296 19079 2914 1 4 . 1 1 130 130 THR CA C 130 63.487 63.487 61.327 2.160 19079 2915 1 4 . 1 1 130 130 THR CB C 130 70.852 70.852 69.046 1.806 19079 2916 1 4 . 1 1 130 130 THR H H 130 8.848 8.848 9.059 -0.211 19079 2917 1 4 . 1 1 131 131 ASP N N 131 128.382 128.382 130.985 -2.603 19079 2918 1 4 . 1 1 131 131 ASP HA H 131 4.915 4.915 4.817 0.098 19079 2919 1 4 . 1 1 131 131 ASP C C 131 175.616 175.616 176.651 -1.035 19079 2920 1 4 . 1 1 131 131 ASP CA C 131 52.924 52.924 55.459 -2.535 19079 2921 1 4 . 1 1 131 131 ASP CB C 131 41.513 41.513 41.227 0.285 19079 2922 1 4 . 1 1 131 131 ASP H H 131 8.722 8.722 8.610 0.112 19079 2923 1 4 . 1 1 132 132 LEU N N 132 123.250 123.250 127.077 -3.827 19079 2924 1 4 . 1 1 132 132 LEU HA H 132 4.325 4.325 4.349 -0.024 19079 2925 1 4 . 1 1 132 132 LEU C C 132 179.704 179.704 177.911 1.793 19079 2926 1 4 . 1 1 132 132 LEU CA C 132 55.286 55.286 55.043 0.243 19079 2927 1 4 . 1 1 132 132 LEU CB C 132 42.640 42.640 41.936 0.704 19079 2928 1 4 . 1 1 132 132 LEU H H 132 8.788 8.788 8.011 0.777 19079 2929 1 4 . 1 1 133 133 ARG N N 133 119.561 119.561 120.659 -1.098 19079 2930 1 4 . 1 1 133 133 ARG HA H 133 3.977 3.977 4.179 -0.202 19079 2931 1 4 . 1 1 133 133 ARG C C 133 177.476 177.476 175.168 2.308 19079 2932 1 4 . 1 1 133 133 ARG CA C 133 61.799 61.799 60.600 1.199 19079 2933 1 4 . 1 1 133 133 ARG CB C 133 27.601 27.601 28.601 -1.000 19079 2934 1 4 . 1 1 133 133 ARG H H 133 8.961 8.961 7.567 1.394 19079 2935 1 4 . 1 1 134 134 PRO HA H 134 4.284 4.284 4.377 -0.093 19079 2936 1 4 . 1 1 134 134 PRO C C 134 175.695 175.695 175.510 0.185 19079 2937 1 4 . 1 1 134 134 PRO CA C 134 64.508 64.508 63.608 0.900 19079 2938 1 4 . 1 1 134 134 PRO CB C 134 31.008 31.008 29.913 1.095 19079 2939 1 4 . 1 1 135 135 TYR N N 135 114.745 114.745 119.778 -5.033 19079 2940 1 4 . 1 1 135 135 TYR HA H 135 4.420 4.420 4.601 -0.181 19079 2941 1 4 . 1 1 135 135 TYR C C 135 175.146 175.146 175.261 -0.115 19079 2942 1 4 . 1 1 135 135 TYR CA C 135 57.322 57.322 58.823 -1.501 19079 2943 1 4 . 1 1 135 135 TYR CB C 135 39.549 39.549 40.660 -1.111 19079 2944 1 4 . 1 1 135 135 TYR H H 135 7.419 7.419 8.690 -1.271 19079 2945 1 4 . 1 1 136 136 ASN N N 136 119.088 119.088 119.150 -0.062 19079 2946 1 4 . 1 1 136 136 ASN HA H 136 4.622 4.622 5.084 -0.462 19079 2947 1 4 . 1 1 136 136 ASN C C 136 175.650 175.650 175.705 -0.055 19079 2948 1 4 . 1 1 136 136 ASN CA C 136 53.601 53.601 52.754 0.847 19079 2949 1 4 . 1 1 136 136 ASN CB C 136 38.741 38.741 40.353 -1.612 19079 2950 1 4 . 1 1 136 136 ASN H H 136 7.245 7.245 7.805 -0.560 19079 2951 1 4 . 1 1 137 137 ILE N N 137 126.031 126.031 121.441 4.590 19079 2952 1 4 . 1 1 137 137 ILE HA H 137 4.135 4.135 4.356 -0.221 19079 2953 1 4 . 1 1 137 137 ILE C C 137 175.636 175.636 176.119 -0.483 19079 2954 1 4 . 1 1 137 137 ILE CA C 137 61.215 61.215 59.899 1.316 19079 2955 1 4 . 1 1 137 137 ILE CB C 137 38.380 38.380 34.563 3.817 19079 2956 1 4 . 1 1 137 137 ILE H H 137 7.849 7.849 8.672 -0.824 19079 2957 1 4 . 1 1 138 138 LYS N N 138 125.271 125.271 122.245 3.026 19079 2958 1 4 . 1 1 138 138 LYS HA H 138 4.368 4.368 4.071 0.297 19079 2959 1 4 . 1 1 138 138 LYS C C 138 176.110 176.110 176.520 -0.410 19079 2960 1 4 . 1 1 138 138 LYS CA C 138 55.906 55.906 58.222 -2.316 19079 2961 1 4 . 1 1 138 138 LYS CB C 138 33.564 33.564 32.655 0.909 19079 2962 1 4 . 1 1 138 138 LYS H H 138 8.171 8.171 7.919 0.252 19079 2963 1 4 . 1 1 139 139 ALA N N 139 124.226 124.226 119.632 4.594 19079 2964 1 4 . 1 1 139 139 ALA HA H 139 4.384 4.384 4.347 0.037 19079 2965 1 4 . 1 1 139 139 ALA C C 139 177.788 177.788 175.826 1.962 19079 2966 1 4 . 1 1 139 139 ALA CA C 139 52.522 52.522 51.203 1.319 19079 2967 1 4 . 1 1 139 139 ALA CB C 139 19.531 19.531 19.919 -0.388 19079 2968 1 4 . 1 1 139 139 ALA H H 139 8.207 8.207 7.458 0.749 19079 2969 1 4 . 1 1 140 140 THR N N 140 112.869 112.869 112.653 0.216 19079 2970 1 4 . 1 1 140 140 THR HA H 140 4.390 4.390 4.377 0.013 19079 2971 1 4 . 1 1 140 140 THR C C 140 174.522 174.522 174.644 -0.122 19079 2972 1 4 . 1 1 140 140 THR CA C 140 61.685 61.685 61.946 -0.261 19079 2973 1 4 . 1 1 140 140 THR CB C 140 69.961 69.961 69.386 0.575 19079 2974 1 4 . 1 1 140 140 THR H H 140 8.094 8.094 8.126 -0.032 19079 2975 1 4 . 1 1 141 141 SER N N 141 118.138 118.138 115.406 2.732 19079 2976 1 4 . 1 1 141 141 SER HA H 141 4.500 4.500 4.564 -0.064 19079 2977 1 4 . 1 1 141 141 SER C C 141 173.503 173.503 174.432 -0.929 19079 2978 1 4 . 1 1 141 141 SER CA C 141 58.315 58.315 57.580 0.736 19079 2979 1 4 . 1 1 141 141 SER CB C 141 64.039 64.039 64.147 -0.108 19079 2980 1 4 . 1 1 141 141 SER H H 141 8.209 8.209 8.187 0.022 19079 2981 1 5 . 1 1 2 2 PRO HA H 2 4.360 4.360 4.516 -0.156 19079 2982 1 5 . 1 1 2 2 PRO C C 2 178.185 178.185 175.911 2.274 19079 2983 1 5 . 1 1 2 2 PRO CA C 2 65.722 65.722 62.966 2.756 19079 2984 1 5 . 1 1 2 2 PRO CB C 2 33.078 33.078 31.753 1.325 19079 2985 1 5 . 1 1 3 3 SER N N 3 112.403 112.403 121.451 -9.048 19079 2986 1 5 . 1 1 3 3 SER HA H 3 3.136 3.136 4.565 -1.429 19079 2987 1 5 . 1 1 3 3 SER C C 3 172.101 172.101 173.474 -1.373 19079 2988 1 5 . 1 1 3 3 SER CA C 3 57.421 57.421 57.666 -0.244 19079 2989 1 5 . 1 1 3 3 SER CB C 3 62.812 62.812 64.709 -1.897 19079 2990 1 5 . 1 1 3 3 SER H H 3 8.494 8.494 8.442 0.052 19079 2991 1 5 . 1 1 4 4 ASP N N 4 119.024 119.024 124.043 -5.019 19079 2992 1 5 . 1 1 4 4 ASP HA H 4 4.438 4.438 4.674 -0.236 19079 2993 1 5 . 1 1 4 4 ASP C C 4 177.371 177.371 174.531 2.840 19079 2994 1 5 . 1 1 4 4 ASP CA C 4 54.800 54.800 53.755 1.046 19079 2995 1 5 . 1 1 4 4 ASP CB C 4 41.495 41.495 41.984 -0.489 19079 2996 1 5 . 1 1 4 4 ASP H H 4 6.841 6.841 8.318 -1.477 19079 2997 1 5 . 1 1 5 5 LEU N N 5 129.426 129.426 122.765 6.661 19079 2998 1 5 . 1 1 5 5 LEU HA H 5 4.526 4.526 4.294 0.232 19079 2999 1 5 . 1 1 5 5 LEU C C 5 176.246 176.246 176.577 -0.331 19079 3000 1 5 . 1 1 5 5 LEU CA C 5 54.010 54.010 54.507 -0.497 19079 3001 1 5 . 1 1 5 5 LEU CB C 5 40.690 40.690 42.661 -1.971 19079 3002 1 5 . 1 1 5 5 LEU H H 5 8.781 8.781 8.156 0.625 19079 3003 1 5 . 1 1 6 6 PHE HA H 6 4.842 4.842 4.268 0.574 19079 3004 1 5 . 1 1 6 6 PHE C C 6 174.584 174.584 174.551 0.033 19079 3005 1 5 . 1 1 6 6 PHE CA C 6 56.782 56.782 58.114 -1.332 19079 3006 1 5 . 1 1 6 6 PHE CB C 6 39.576 39.576 38.542 1.034 19079 3007 1 5 . 1 1 7 7 VAL N N 7 118.923 118.923 119.988 -1.065 19079 3008 1 5 . 1 1 7 7 VAL HA H 7 4.528 4.528 4.394 0.134 19079 3009 1 5 . 1 1 7 7 VAL C C 7 173.989 173.989 174.201 -0.212 19079 3010 1 5 . 1 1 7 7 VAL CA C 7 61.571 61.571 60.407 1.163 19079 3011 1 5 . 1 1 7 7 VAL CB C 7 34.826 34.826 34.897 -0.071 19079 3012 1 5 . 1 1 7 7 VAL H H 7 8.586 8.586 8.372 0.214 19079 3013 1 5 . 1 1 8 8 HIS N N 8 132.990 132.990 127.051 5.939 19079 3014 1 5 . 1 1 8 8 HIS HA H 8 5.997 5.997 4.963 1.034 19079 3015 1 5 . 1 1 8 8 HIS C C 8 174.184 174.184 174.373 -0.189 19079 3016 1 5 . 1 1 8 8 HIS CA C 8 53.113 53.113 54.135 -1.022 19079 3017 1 5 . 1 1 8 8 HIS CB C 8 33.889 33.889 31.709 2.180 19079 3018 1 5 . 1 1 8 8 HIS H H 8 10.809 10.809 8.416 2.393 19079 3019 1 5 . 1 1 9 9 THR N N 9 118.112 118.112 117.549 0.563 19079 3020 1 5 . 1 1 9 9 THR HA H 9 5.343 5.343 4.907 0.436 19079 3021 1 5 . 1 1 9 9 THR C C 9 175.788 175.788 174.896 0.892 19079 3022 1 5 . 1 1 9 9 THR CA C 9 59.768 59.768 60.167 -0.399 19079 3023 1 5 . 1 1 9 9 THR CB C 9 70.673 70.673 69.843 0.830 19079 3024 1 5 . 1 1 9 9 THR H H 9 9.512 9.512 8.422 1.090 19079 3025 1 5 . 1 1 10 10 GLU N N 10 117.927 117.927 127.316 -9.389 19079 3026 1 5 . 1 1 10 10 GLU HA H 10 4.096 4.096 3.839 0.257 19079 3027 1 5 . 1 1 10 10 GLU C C 10 176.321 176.321 175.938 0.383 19079 3028 1 5 . 1 1 10 10 GLU CA C 10 59.900 59.900 59.304 0.596 19079 3029 1 5 . 1 1 10 10 GLU CB C 10 29.983 29.983 28.343 1.640 19079 3030 1 5 . 1 1 10 10 GLU H H 10 8.812 8.812 9.259 -0.447 19079 3031 1 5 . 1 1 11 11 GLN N N 11 110.877 110.877 119.767 -8.890 19079 3032 1 5 . 1 1 11 11 GLN HA H 11 4.621 4.621 4.731 -0.110 19079 3033 1 5 . 1 1 11 11 GLN C C 11 175.391 175.391 173.857 1.534 19079 3034 1 5 . 1 1 11 11 GLN CA C 11 56.071 56.071 55.219 0.852 19079 3035 1 5 . 1 1 11 11 GLN CB C 11 31.963 31.963 30.698 1.265 19079 3036 1 5 . 1 1 11 11 GLN H H 11 7.797 7.797 8.118 -0.321 19079 3037 1 5 . 1 1 12 12 ALA N N 12 122.143 122.143 122.864 -0.721 19079 3038 1 5 . 1 1 12 12 ALA HA H 12 5.049 5.049 5.383 -0.334 19079 3039 1 5 . 1 1 12 12 ALA C C 12 174.293 174.293 175.426 -1.133 19079 3040 1 5 . 1 1 12 12 ALA CA C 12 51.943 51.943 50.153 1.790 19079 3041 1 5 . 1 1 12 12 ALA CB C 12 23.177 23.177 21.738 1.439 19079 3042 1 5 . 1 1 12 12 ALA H H 12 7.814 7.814 8.477 -0.663 19079 3043 1 5 . 1 1 13 13 ILE N N 13 119.589 119.589 125.803 -6.214 19079 3044 1 5 . 1 1 13 13 ILE HA H 13 5.399 5.399 4.869 0.530 19079 3045 1 5 . 1 1 13 13 ILE C C 13 174.295 174.295 174.870 -0.575 19079 3046 1 5 . 1 1 13 13 ILE CA C 13 60.102 60.102 59.924 0.178 19079 3047 1 5 . 1 1 13 13 ILE CB C 13 41.080 41.080 38.606 2.474 19079 3048 1 5 . 1 1 13 13 ILE H H 13 9.206 9.206 8.263 0.943 19079 3049 1 5 . 1 1 14 14 TYR N N 14 127.337 127.337 129.339 -2.002 19079 3050 1 5 . 1 1 14 14 TYR HA H 14 4.853 4.853 5.273 -0.420 19079 3051 1 5 . 1 1 14 14 TYR C C 14 172.793 172.793 175.449 -2.656 19079 3052 1 5 . 1 1 14 14 TYR CA C 14 56.784 56.784 56.999 -0.215 19079 3053 1 5 . 1 1 14 14 TYR CB C 14 39.797 39.797 39.485 0.312 19079 3054 1 5 . 1 1 14 14 TYR H H 14 9.794 9.794 8.371 1.423 19079 3055 1 5 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.720 -0.348 19079 3056 1 5 . 1 1 15 15 LYS CA C 15 55.924 55.924 54.867 1.057 19079 3057 1 5 . 1 1 15 15 LYS CB C 15 33.563 33.563 35.014 -1.451 19079 3058 1 5 . 1 1 15 15 LYS H H 15 7.550 7.550 8.447 -0.897 19079 3059 1 5 . 1 1 16 16 ASN N N 16 107.943 107.943 117.835 -9.892 19079 3060 1 5 . 1 1 16 16 ASN HA H 16 5.098 5.098 4.704 0.394 19079 3061 1 5 . 1 1 16 16 ASN C C 16 176.475 176.475 176.876 -0.401 19079 3062 1 5 . 1 1 16 16 ASN CA C 16 54.072 54.072 53.773 0.299 19079 3063 1 5 . 1 1 16 16 ASN CB C 16 38.619 38.619 38.626 -0.007 19079 3064 1 5 . 1 1 16 16 ASN H H 16 8.156 8.156 8.770 -0.614 19079 3065 1 5 . 1 1 17 17 ALA N N 17 127.319 127.319 128.260 -0.941 19079 3066 1 5 . 1 1 17 17 ALA HA H 17 3.608 3.608 4.353 -0.745 19079 3067 1 5 . 1 1 17 17 ALA C C 17 180.081 180.081 178.406 1.675 19079 3068 1 5 . 1 1 17 17 ALA CA C 17 54.282 54.282 54.671 -0.389 19079 3069 1 5 . 1 1 17 17 ALA CB C 17 17.646 17.646 19.111 -1.465 19079 3070 1 5 . 1 1 17 17 ALA H H 17 7.573 7.573 8.928 -1.355 19079 3071 1 5 . 1 1 18 18 HIS N N 18 108.625 108.625 117.480 -8.855 19079 3072 1 5 . 1 1 18 18 HIS HA H 18 4.504 4.504 4.328 0.176 19079 3073 1 5 . 1 1 18 18 HIS C C 18 174.182 174.182 175.965 -1.783 19079 3074 1 5 . 1 1 18 18 HIS CA C 18 57.782 57.782 58.449 -0.667 19079 3075 1 5 . 1 1 18 18 HIS CB C 18 26.798 26.798 29.519 -2.721 19079 3076 1 5 . 1 1 18 18 HIS H H 18 8.118 8.118 8.070 0.048 19079 3077 1 5 . 1 1 19 19 LEU N N 19 117.682 117.682 117.544 0.138 19079 3078 1 5 . 1 1 19 19 LEU HA H 19 4.444 4.444 4.110 0.334 19079 3079 1 5 . 1 1 19 19 LEU C C 19 175.795 175.795 176.943 -1.148 19079 3080 1 5 . 1 1 19 19 LEU CA C 19 53.309 53.309 56.690 -3.381 19079 3081 1 5 . 1 1 19 19 LEU CB C 19 42.366 42.366 42.635 -0.269 19079 3082 1 5 . 1 1 19 19 LEU H H 19 6.677 6.677 8.026 -1.349 19079 3083 1 5 . 1 1 20 20 THR N N 20 116.187 116.187 106.917 9.270 19079 3084 1 5 . 1 1 20 20 THR HA H 20 4.700 4.700 4.163 0.537 19079 3085 1 5 . 1 1 20 20 THR C C 20 171.105 171.105 174.977 -3.872 19079 3086 1 5 . 1 1 20 20 THR CA C 20 58.570 58.570 61.441 -2.871 19079 3087 1 5 . 1 1 20 20 THR CB C 20 69.724 69.724 69.981 -0.257 19079 3088 1 5 . 1 1 20 20 THR H H 20 7.399 7.399 7.275 0.124 19079 3089 1 5 . 1 1 21 21 THR N N 21 114.194 114.194 120.029 -5.835 19079 3090 1 5 . 1 1 21 21 THR HA H 21 5.124 5.124 4.078 1.046 19079 3091 1 5 . 1 1 21 21 THR CA C 21 58.991 58.991 61.537 -2.546 19079 3092 1 5 . 1 1 21 21 THR CB C 21 71.564 71.564 68.758 2.806 19079 3093 1 5 . 1 1 21 21 THR H H 21 8.410 8.410 7.969 0.441 19079 3094 1 5 . 1 1 22 22 PRO HA H 22 4.432 4.432 4.533 -0.101 19079 3095 1 5 . 1 1 22 22 PRO C C 22 175.895 175.895 176.813 -0.918 19079 3096 1 5 . 1 1 22 22 PRO CA C 22 63.390 63.390 62.730 0.660 19079 3097 1 5 . 1 1 22 22 PRO CB C 22 32.203 32.203 32.209 -0.006 19079 3098 1 5 . 1 1 23 23 ASN N N 23 119.233 119.233 117.202 2.031 19079 3099 1 5 . 1 1 23 23 ASN HA H 23 5.032 5.032 4.462 0.570 19079 3100 1 5 . 1 1 23 23 ASN C C 23 175.963 175.963 175.596 0.367 19079 3101 1 5 . 1 1 23 23 ASN CA C 23 52.452 52.452 55.187 -2.735 19079 3102 1 5 . 1 1 23 23 ASN CB C 23 41.420 41.420 38.337 3.083 19079 3103 1 5 . 1 1 23 23 ASN H H 23 9.227 9.227 8.416 0.811 19079 3104 1 5 . 1 1 24 24 ASP N N 24 119.074 119.074 115.926 3.148 19079 3105 1 5 . 1 1 24 24 ASP HA H 24 4.417 4.417 4.684 -0.267 19079 3106 1 5 . 1 1 24 24 ASP C C 24 176.983 176.983 175.013 1.970 19079 3107 1 5 . 1 1 24 24 ASP CA C 24 56.942 56.942 54.380 2.562 19079 3108 1 5 . 1 1 24 24 ASP CB C 24 40.266 40.266 40.475 -0.209 19079 3109 1 5 . 1 1 24 24 ASP H H 24 8.649 8.649 8.210 0.439 19079 3110 1 5 . 1 1 25 25 GLN N N 25 116.580 116.580 118.091 -1.511 19079 3111 1 5 . 1 1 25 25 GLN HA H 25 4.425 4.425 4.444 -0.019 19079 3112 1 5 . 1 1 25 25 GLN C C 25 177.373 177.373 176.361 1.012 19079 3113 1 5 . 1 1 25 25 GLN CA C 25 55.419 55.419 56.001 -0.582 19079 3114 1 5 . 1 1 25 25 GLN CB C 25 28.933 28.933 30.000 -1.067 19079 3115 1 5 . 1 1 25 25 GLN H H 25 9.028 9.028 8.441 0.587 19079 3116 1 5 . 1 1 26 26 THR N N 26 122.196 122.196 114.487 7.709 19079 3117 1 5 . 1 1 26 26 THR HA H 26 4.779 4.779 4.353 0.426 19079 3118 1 5 . 1 1 26 26 THR C C 26 174.583 174.583 174.768 -0.185 19079 3119 1 5 . 1 1 26 26 THR CA C 26 65.218 65.218 62.512 2.706 19079 3120 1 5 . 1 1 26 26 THR CB C 26 68.963 68.963 68.674 0.289 19079 3121 1 5 . 1 1 26 26 THR H H 26 7.692 7.692 8.036 -0.344 19079 3122 1 5 . 1 1 27 27 ILE N N 27 129.367 129.367 125.135 4.232 19079 3123 1 5 . 1 1 27 27 ILE HA H 27 4.112 4.112 3.705 0.407 19079 3124 1 5 . 1 1 27 27 ILE C C 27 175.734 175.734 176.332 -0.598 19079 3125 1 5 . 1 1 27 27 ILE CA C 27 62.558 62.558 64.255 -1.697 19079 3126 1 5 . 1 1 27 27 ILE CB C 27 40.357 40.357 38.320 2.037 19079 3127 1 5 . 1 1 27 27 ILE H H 27 9.785 9.785 8.123 1.662 19079 3128 1 5 . 1 1 28 28 LEU N N 28 120.773 120.773 116.969 3.804 19079 3129 1 5 . 1 1 28 28 LEU HA H 28 4.506 4.506 4.650 -0.144 19079 3130 1 5 . 1 1 28 28 LEU C C 28 173.083 173.083 174.435 -1.352 19079 3131 1 5 . 1 1 28 28 LEU CA C 28 55.337 55.337 53.995 1.342 19079 3132 1 5 . 1 1 28 28 LEU CB C 28 45.942 45.942 45.761 0.181 19079 3133 1 5 . 1 1 28 28 LEU H H 28 7.814 7.814 7.497 0.317 19079 3134 1 5 . 1 1 29 29 LEU N N 29 128.285 128.285 119.831 8.454 19079 3135 1 5 . 1 1 29 29 LEU HA H 29 4.798 4.798 4.910 -0.112 19079 3136 1 5 . 1 1 29 29 LEU C C 29 174.589 174.589 174.996 -0.407 19079 3137 1 5 . 1 1 29 29 LEU CA C 29 54.133 54.133 54.377 -0.244 19079 3138 1 5 . 1 1 29 29 LEU CB C 29 43.909 43.909 46.091 -2.182 19079 3139 1 5 . 1 1 29 29 LEU H H 29 8.653 8.653 8.081 0.572 19079 3140 1 5 . 1 1 30 30 ALA N N 30 132.532 132.532 124.607 7.925 19079 3141 1 5 . 1 1 30 30 ALA HA H 30 4.995 4.995 4.924 0.071 19079 3142 1 5 . 1 1 30 30 ALA C C 30 177.994 177.994 177.079 0.915 19079 3143 1 5 . 1 1 30 30 ALA CA C 30 49.621 49.621 50.689 -1.068 19079 3144 1 5 . 1 1 30 30 ALA CB C 30 18.022 18.022 19.519 -1.497 19079 3145 1 5 . 1 1 30 30 ALA H H 30 9.179 9.179 8.853 0.326 19079 3146 1 5 . 1 1 31 31 LEU N N 31 126.651 126.651 125.700 0.951 19079 3147 1 5 . 1 1 31 31 LEU HA H 31 4.619 4.619 4.068 0.551 19079 3148 1 5 . 1 1 31 31 LEU CA C 31 59.032 59.032 58.230 0.803 19079 3149 1 5 . 1 1 31 31 LEU CB C 31 41.356 41.356 41.536 -0.180 19079 3150 1 5 . 1 1 31 31 LEU H H 31 8.828 8.828 9.022 -0.194 19079 3151 1 5 . 1 1 32 32 THR HA H 32 4.283 4.283 4.070 0.213 19079 3152 1 5 . 1 1 32 32 THR C C 32 173.341 173.341 174.681 -1.340 19079 3153 1 5 . 1 1 32 32 THR CA C 32 63.443 63.443 65.155 -1.712 19079 3154 1 5 . 1 1 32 32 THR CB C 32 68.639 68.639 68.775 -0.136 19079 3155 1 5 . 1 1 32 32 THR H H 32 8.105 8.105 8.176 -0.071 19079 3156 1 5 . 1 1 33 33 ALA N N 33 122.960 122.960 118.734 4.226 19079 3157 1 5 . 1 1 33 33 ALA HA H 33 5.301 5.301 4.519 0.782 19079 3158 1 5 . 1 1 33 33 ALA C C 33 175.467 175.467 175.666 -0.199 19079 3159 1 5 . 1 1 33 33 ALA CA C 33 50.782 50.782 50.235 0.547 19079 3160 1 5 . 1 1 33 33 ALA CB C 33 20.256 20.256 19.602 0.655 19079 3161 1 5 . 1 1 33 33 ALA H H 33 7.328 7.328 7.519 -0.191 19079 3162 1 5 . 1 1 34 34 ASP N N 34 115.713 115.713 118.086 -2.373 19079 3163 1 5 . 1 1 34 34 ASP HA H 34 4.194 4.194 4.350 -0.156 19079 3164 1 5 . 1 1 34 34 ASP C C 34 175.750 175.750 174.767 0.983 19079 3165 1 5 . 1 1 34 34 ASP CA C 34 55.269 55.269 55.396 -0.127 19079 3166 1 5 . 1 1 34 34 ASP CB C 34 40.525 40.525 40.182 0.343 19079 3167 1 5 . 1 1 34 34 ASP H H 34 7.927 7.927 7.770 0.157 19079 3168 1 5 . 1 1 35 35 LEU N N 35 119.485 119.485 119.187 0.298 19079 3169 1 5 . 1 1 35 35 LEU HA H 35 5.102 5.102 4.825 0.277 19079 3170 1 5 . 1 1 35 35 LEU C C 35 173.060 173.060 175.135 -2.075 19079 3171 1 5 . 1 1 35 35 LEU CA C 35 54.268 54.268 54.224 0.044 19079 3172 1 5 . 1 1 35 35 LEU CB C 35 47.326 47.326 44.412 2.914 19079 3173 1 5 . 1 1 35 35 LEU H H 35 7.820 7.820 7.714 0.106 19079 3174 1 5 . 1 1 36 36 GLN N N 36 127.748 127.748 123.351 4.397 19079 3175 1 5 . 1 1 36 36 GLN HA H 36 4.790 4.790 4.788 0.002 19079 3176 1 5 . 1 1 36 36 GLN C C 36 173.161 173.161 174.091 -0.930 19079 3177 1 5 . 1 1 36 36 GLN CA C 36 55.286 55.286 54.624 0.662 19079 3178 1 5 . 1 1 36 36 GLN CB C 36 32.594 32.594 33.861 -1.267 19079 3179 1 5 . 1 1 36 36 GLN H H 36 9.050 9.050 8.465 0.585 19079 3180 1 5 . 1 1 37 37 ILE N N 37 125.606 125.606 120.930 4.676 19079 3181 1 5 . 1 1 37 37 ILE HA H 37 4.807 4.807 4.988 -0.181 19079 3182 1 5 . 1 1 37 37 ILE C C 37 174.921 174.921 174.244 0.677 19079 3183 1 5 . 1 1 37 37 ILE CA C 37 59.869 59.869 59.562 0.307 19079 3184 1 5 . 1 1 37 37 ILE CB C 37 39.750 39.750 41.797 -2.047 19079 3185 1 5 . 1 1 37 37 ILE H H 37 8.828 8.828 8.277 0.551 19079 3186 1 5 . 1 1 38 38 ASP N N 38 128.163 128.163 122.711 5.452 19079 3187 1 5 . 1 1 38 38 ASP HA H 38 5.259 5.259 4.907 0.352 19079 3188 1 5 . 1 1 38 38 ASP C C 38 176.122 176.122 174.855 1.267 19079 3189 1 5 . 1 1 38 38 ASP CA C 38 52.316 52.316 51.749 0.567 19079 3190 1 5 . 1 1 38 38 ASP CB C 38 43.251 43.251 45.246 -1.996 19079 3191 1 5 . 1 1 38 38 ASP H H 38 9.226 9.226 8.034 1.192 19079 3192 1 5 . 1 1 39 39 GLY N N 39 107.273 107.273 107.142 0.131 19079 3193 1 5 . 1 1 39 39 GLY C C 39 171.808 171.808 173.396 -1.588 19079 3194 1 5 . 1 1 39 39 GLY CA C 39 45.108 45.108 44.250 0.858 19079 3195 1 5 . 1 1 39 39 GLY H H 39 8.682 8.682 8.565 0.117 19079 3196 1 5 . 1 1 40 40 CYS N N 40 114.602 114.602 119.056 -4.454 19079 3197 1 5 . 1 1 40 40 CYS HA H 40 4.832 4.832 4.471 0.361 19079 3198 1 5 . 1 1 40 40 CYS CA C 40 55.517 55.517 58.948 -3.431 19079 3199 1 5 . 1 1 40 40 CYS CB C 40 30.872 30.872 31.448 -0.576 19079 3200 1 5 . 1 1 40 40 CYS H H 40 7.784 7.784 7.913 -0.129 19079 3201 1 5 . 1 1 41 41 ASP N N 41 121.388 121.388 123.286 -1.898 19079 3202 1 5 . 1 1 41 41 ASP HA H 41 4.618 4.618 4.737 -0.119 19079 3203 1 5 . 1 1 41 41 ASP CA C 41 54.808 54.808 54.469 0.339 19079 3204 1 5 . 1 1 41 41 ASP CB C 41 41.299 41.299 40.992 0.307 19079 3205 1 5 . 1 1 41 41 ASP H H 41 8.496 8.496 8.439 0.057 19079 3206 1 5 . 1 1 42 42 GLN N N 42 118.506 118.506 119.408 -0.902 19079 3207 1 5 . 1 1 42 42 GLN HA H 42 4.900 4.900 4.662 0.238 19079 3208 1 5 . 1 1 42 42 GLN CA C 42 52.529 52.529 53.115 -0.586 19079 3209 1 5 . 1 1 42 42 GLN CB C 42 30.580 30.580 28.684 1.896 19079 3210 1 5 . 1 1 42 42 GLN H H 42 7.592 7.592 7.814 -0.222 19079 3211 1 5 . 1 1 43 43 PRO HA H 43 4.438 4.438 4.481 -0.043 19079 3212 1 5 . 1 1 43 43 PRO CA C 43 63.283 63.283 62.777 0.506 19079 3213 1 5 . 1 1 43 43 PRO CB C 43 32.178 32.178 32.352 -0.173 19079 3214 1 5 . 1 1 44 44 GLY N N 44 109.062 109.062 110.110 -1.048 19079 3215 1 5 . 1 1 44 44 GLY CA C 44 45.265 45.265 43.253 2.012 19079 3216 1 5 . 1 1 44 44 GLY H H 44 8.249 8.249 7.844 0.405 19079 3217 1 5 . 1 1 45 45 PRO HA H 45 4.535 4.535 4.367 0.168 19079 3218 1 5 . 1 1 45 45 PRO CA C 45 63.511 63.511 63.500 0.011 19079 3219 1 5 . 1 1 45 45 PRO CB C 45 33.193 33.193 31.977 1.216 19079 3220 1 5 . 1 1 46 46 ASP N N 46 121.254 121.254 122.011 -0.757 19079 3221 1 5 . 1 1 46 46 ASP HA H 46 4.784 4.784 4.388 0.396 19079 3222 1 5 . 1 1 46 46 ASP C C 46 174.555 174.555 174.957 -0.402 19079 3223 1 5 . 1 1 46 46 ASP CA C 46 55.268 55.268 55.566 -0.298 19079 3224 1 5 . 1 1 46 46 ASP CB C 46 43.360 43.360 40.703 2.657 19079 3225 1 5 . 1 1 46 46 ASP H H 46 8.533 8.533 8.437 0.096 19079 3226 1 5 . 1 1 47 47 ASN N N 47 118.452 118.452 120.887 -2.435 19079 3227 1 5 . 1 1 47 47 ASN HA H 47 4.912 4.912 4.892 0.020 19079 3228 1 5 . 1 1 47 47 ASN C C 47 172.394 172.394 174.452 -2.058 19079 3229 1 5 . 1 1 47 47 ASN CA C 47 52.877 52.877 51.941 0.936 19079 3230 1 5 . 1 1 47 47 ASN CB C 47 42.185 42.185 40.188 1.996 19079 3231 1 5 . 1 1 47 47 ASN H H 47 8.668 8.668 8.198 0.470 19079 3232 1 5 . 1 1 48 48 ILE N N 48 126.910 126.910 125.192 1.718 19079 3233 1 5 . 1 1 48 48 ILE HA H 48 5.269 5.269 3.983 1.286 19079 3234 1 5 . 1 1 48 48 ILE CA C 48 57.457 57.457 61.112 -3.655 19079 3235 1 5 . 1 1 48 48 ILE CB C 48 39.411 39.411 37.573 1.838 19079 3236 1 5 . 1 1 48 48 ILE H H 48 8.377 8.377 8.291 0.086 19079 3237 1 5 . 1 1 49 49 PRO HA H 49 4.571 4.571 4.476 0.095 19079 3238 1 5 . 1 1 49 49 PRO CA C 49 62.019 62.019 62.549 -0.530 19079 3239 1 5 . 1 1 49 49 PRO CB C 49 34.068 34.068 32.630 1.438 19079 3240 1 5 . 1 1 50 50 ASP N N 50 117.512 117.512 115.709 1.803 19079 3241 1 5 . 1 1 50 50 ASP HA H 50 4.847 4.847 4.567 0.280 19079 3242 1 5 . 1 1 50 50 ASP C C 50 175.105 175.105 175.056 0.049 19079 3243 1 5 . 1 1 50 50 ASP CA C 50 52.186 52.186 53.917 -1.731 19079 3244 1 5 . 1 1 50 50 ASP CB C 50 40.206 40.206 41.360 -1.154 19079 3245 1 5 . 1 1 50 50 ASP H H 50 7.928 7.928 8.709 -0.781 19079 3246 1 5 . 1 1 51 51 CYS N N 51 117.841 117.841 118.863 -1.022 19079 3247 1 5 . 1 1 51 51 CYS HA H 51 4.645 4.645 4.713 -0.068 19079 3248 1 5 . 1 1 51 51 CYS C C 51 173.952 173.952 173.151 0.801 19079 3249 1 5 . 1 1 51 51 CYS CA C 51 57.079 57.079 57.285 -0.206 19079 3250 1 5 . 1 1 51 51 CYS CB C 51 31.834 31.834 28.762 3.071 19079 3251 1 5 . 1 1 51 51 CYS H H 51 6.998 6.998 7.787 -0.789 19079 3252 1 5 . 1 1 52 52 ASP N N 52 113.831 113.831 125.216 -11.385 19079 3253 1 5 . 1 1 52 52 ASP HA H 52 4.790 4.790 4.619 0.171 19079 3254 1 5 . 1 1 52 52 ASP C C 52 177.522 177.522 174.855 2.667 19079 3255 1 5 . 1 1 52 52 ASP CA C 52 52.266 52.266 52.562 -0.296 19079 3256 1 5 . 1 1 52 52 ASP CB C 52 41.108 41.108 40.203 0.906 19079 3257 1 5 . 1 1 52 52 ASP H H 52 7.839 7.839 8.299 -0.460 19079 3258 1 5 . 1 1 53 53 CYS N N 53 120.924 120.924 122.253 -1.329 19079 3259 1 5 . 1 1 53 53 CYS HA H 53 4.176 4.176 4.511 -0.335 19079 3260 1 5 . 1 1 53 53 CYS C C 53 177.320 177.320 175.904 1.416 19079 3261 1 5 . 1 1 53 53 CYS CA C 53 62.456 62.456 58.155 4.301 19079 3262 1 5 . 1 1 53 53 CYS CB C 53 31.077 31.077 27.980 3.097 19079 3263 1 5 . 1 1 53 53 CYS H H 53 8.180 8.180 8.357 -0.177 19079 3264 1 5 . 1 1 54 54 THR N N 54 108.381 108.381 111.529 -3.148 19079 3265 1 5 . 1 1 54 54 THR HA H 54 4.168 4.168 4.348 -0.180 19079 3266 1 5 . 1 1 54 54 THR C C 54 172.044 172.044 175.069 -3.025 19079 3267 1 5 . 1 1 54 54 THR CA C 54 60.645 60.645 62.949 -2.304 19079 3268 1 5 . 1 1 54 54 THR CB C 54 69.425 69.425 69.587 -0.162 19079 3269 1 5 . 1 1 54 54 THR H H 54 8.728 8.728 8.212 0.516 19079 3270 1 5 . 1 1 55 55 SER N N 55 114.465 114.465 120.839 -6.374 19079 3271 1 5 . 1 1 55 55 SER HA H 55 4.906 4.906 4.751 0.155 19079 3272 1 5 . 1 1 55 55 SER C C 55 172.897 172.897 174.360 -1.463 19079 3273 1 5 . 1 1 55 55 SER CA C 55 56.279 56.279 58.084 -1.805 19079 3274 1 5 . 1 1 55 55 SER CB C 55 66.156 66.156 62.512 3.644 19079 3275 1 5 . 1 1 55 55 SER H H 55 7.433 7.433 8.152 -0.719 19079 3276 1 5 . 1 1 56 56 GLY N N 56 106.492 106.492 112.530 -6.038 19079 3277 1 5 . 1 1 56 56 GLY C C 56 172.400 172.400 172.398 0.002 19079 3278 1 5 . 1 1 56 56 GLY CA C 56 46.778 46.778 44.123 2.655 19079 3279 1 5 . 1 1 56 56 GLY H H 56 8.431 8.431 8.443 -0.012 19079 3280 1 5 . 1 1 57 57 CYS N N 57 123.907 123.907 117.595 6.312 19079 3281 1 5 . 1 1 57 57 CYS HA H 57 5.755 5.755 5.729 0.026 19079 3282 1 5 . 1 1 57 57 CYS C C 57 171.012 171.012 173.220 -2.208 19079 3283 1 5 . 1 1 57 57 CYS CA C 57 54.317 54.317 56.697 -2.380 19079 3284 1 5 . 1 1 57 57 CYS CB C 57 32.040 32.040 30.508 1.532 19079 3285 1 5 . 1 1 57 57 CYS H H 57 9.782 9.782 8.539 1.243 19079 3286 1 5 . 1 1 58 58 TYR N N 58 121.251 121.251 122.612 -1.361 19079 3287 1 5 . 1 1 58 58 TYR HA H 58 6.413 6.413 5.747 0.666 19079 3288 1 5 . 1 1 58 58 TYR C C 58 172.177 172.177 173.478 -1.301 19079 3289 1 5 . 1 1 58 58 TYR CA C 58 54.179 54.179 54.399 -0.220 19079 3290 1 5 . 1 1 58 58 TYR CB C 58 44.751 44.751 42.040 2.711 19079 3291 1 5 . 1 1 58 58 TYR H H 58 9.324 9.324 9.062 0.262 19079 3292 1 5 . 1 1 59 59 TYR N N 59 119.921 119.921 125.167 -5.246 19079 3293 1 5 . 1 1 59 59 TYR HA H 59 3.155 3.155 3.628 -0.473 19079 3294 1 5 . 1 1 59 59 TYR C C 59 173.490 173.490 174.108 -0.618 19079 3295 1 5 . 1 1 59 59 TYR CA C 59 56.439 56.439 57.177 -0.738 19079 3296 1 5 . 1 1 59 59 TYR CB C 59 38.280 38.280 37.287 0.993 19079 3297 1 5 . 1 1 59 59 TYR H H 59 7.851 7.851 7.687 0.164 19079 3298 1 5 . 1 1 60 60 SER N N 60 122.333 122.333 122.427 -0.094 19079 3299 1 5 . 1 1 60 60 SER HA H 60 4.286 4.286 4.082 0.204 19079 3300 1 5 . 1 1 60 60 SER C C 60 174.282 174.282 174.470 -0.188 19079 3301 1 5 . 1 1 60 60 SER CA C 60 54.201 54.201 56.865 -2.664 19079 3302 1 5 . 1 1 60 60 SER CB C 60 63.429 63.429 63.612 -0.183 19079 3303 1 5 . 1 1 60 60 SER H H 60 7.184 7.184 8.036 -0.852 19079 3304 1 5 . 1 1 61 61 ARG N N 61 131.876 131.876 129.491 2.385 19079 3305 1 5 . 1 1 61 61 ARG HA H 61 3.755 3.755 3.850 -0.095 19079 3306 1 5 . 1 1 61 61 ARG C C 61 179.454 179.454 177.484 1.970 19079 3307 1 5 . 1 1 61 61 ARG CA C 61 58.733 58.733 58.102 0.631 19079 3308 1 5 . 1 1 61 61 ARG CB C 61 29.216 29.216 30.243 -1.027 19079 3309 1 5 . 1 1 61 61 ARG H H 61 9.058 9.058 8.681 0.377 19079 3310 1 5 . 1 1 62 62 SER N N 62 115.806 115.806 114.025 1.781 19079 3311 1 5 . 1 1 62 62 SER HA H 62 4.021 4.021 4.243 -0.222 19079 3312 1 5 . 1 1 62 62 SER C C 62 177.405 177.405 174.755 2.650 19079 3313 1 5 . 1 1 62 62 SER CA C 62 60.787 60.787 61.059 -0.272 19079 3314 1 5 . 1 1 62 62 SER CB C 62 60.994 60.994 63.355 -2.361 19079 3315 1 5 . 1 1 62 62 SER H H 62 8.933 8.933 8.318 0.615 19079 3316 1 5 . 1 1 63 63 LEU N N 63 120.142 120.142 120.081 0.061 19079 3317 1 5 . 1 1 63 63 LEU HA H 63 4.315 4.315 4.517 -0.202 19079 3318 1 5 . 1 1 63 63 LEU C C 63 175.462 175.462 176.427 -0.965 19079 3319 1 5 . 1 1 63 63 LEU CA C 63 54.589 54.589 54.192 0.397 19079 3320 1 5 . 1 1 63 63 LEU CB C 63 41.583 41.583 42.294 -0.711 19079 3321 1 5 . 1 1 63 63 LEU H H 63 7.372 7.372 7.030 0.342 19079 3322 1 5 . 1 1 64 64 ASP N N 64 124.723 124.723 119.622 5.101 19079 3323 1 5 . 1 1 64 64 ASP HA H 64 4.308 4.308 4.216 0.092 19079 3324 1 5 . 1 1 64 64 ASP C C 64 174.405 174.405 174.601 -0.196 19079 3325 1 5 . 1 1 64 64 ASP CA C 64 54.269 54.269 55.187 -0.918 19079 3326 1 5 . 1 1 64 64 ASP CB C 64 39.892 39.892 40.268 -0.376 19079 3327 1 5 . 1 1 64 64 ASP H H 64 8.122 8.122 7.853 0.269 19079 3328 1 5 . 1 1 65 65 ARG N N 65 111.932 111.932 113.682 -1.750 19079 3329 1 5 . 1 1 65 65 ARG HA H 65 4.648 4.648 4.617 0.031 19079 3330 1 5 . 1 1 65 65 ARG C C 65 172.842 172.842 174.251 -1.409 19079 3331 1 5 . 1 1 65 65 ARG CA C 65 54.327 54.327 54.900 -0.573 19079 3332 1 5 . 1 1 65 65 ARG CB C 65 33.013 33.013 31.571 1.442 19079 3333 1 5 . 1 1 65 65 ARG H H 65 7.434 7.434 7.832 -0.398 19079 3334 1 5 . 1 1 66 66 TYR N N 66 121.286 121.286 122.433 -1.147 19079 3335 1 5 . 1 1 66 66 TYR HA H 66 4.821 4.821 4.788 0.033 19079 3336 1 5 . 1 1 66 66 TYR C C 66 176.123 176.123 176.424 -0.301 19079 3337 1 5 . 1 1 66 66 TYR CA C 66 56.752 56.752 59.447 -2.696 19079 3338 1 5 . 1 1 66 66 TYR CB C 66 41.877 41.877 39.169 2.708 19079 3339 1 5 . 1 1 66 66 TYR H H 66 8.068 8.068 8.693 -0.625 19079 3340 1 5 . 1 1 67 67 ILE N N 67 119.080 119.080 120.188 -1.108 19079 3341 1 5 . 1 1 67 67 ILE HA H 67 4.620 4.620 4.854 -0.234 19079 3342 1 5 . 1 1 67 67 ILE CA C 67 57.840 57.840 57.233 0.607 19079 3343 1 5 . 1 1 67 67 ILE CB C 67 41.191 41.191 41.424 -0.233 19079 3344 1 5 . 1 1 67 67 ILE H H 67 8.640 8.640 8.706 -0.066 19079 3345 1 5 . 1 1 68 68 PRO HA H 68 4.772 4.772 4.966 -0.194 19079 3346 1 5 . 1 1 68 68 PRO CA C 68 62.709 62.709 62.739 -0.030 19079 3347 1 5 . 1 1 68 68 PRO CB C 68 32.923 32.923 31.260 1.663 19079 3348 1 5 . 1 1 69 69 VAL N N 69 120.668 120.668 116.737 3.931 19079 3349 1 5 . 1 1 69 69 VAL HA H 69 4.764 4.764 4.590 0.174 19079 3350 1 5 . 1 1 69 69 VAL C C 69 171.299 171.299 173.714 -2.415 19079 3351 1 5 . 1 1 69 69 VAL CA C 69 60.758 60.758 59.334 1.424 19079 3352 1 5 . 1 1 69 69 VAL CB C 69 36.158 36.158 35.897 0.261 19079 3353 1 5 . 1 1 69 69 VAL H H 69 8.866 8.866 8.687 0.179 19079 3354 1 5 . 1 1 70 70 GLU N N 70 127.352 127.352 121.258 6.094 19079 3355 1 5 . 1 1 70 70 GLU HA H 70 4.694 4.694 4.803 -0.109 19079 3356 1 5 . 1 1 70 70 GLU C C 70 176.084 176.084 175.128 0.956 19079 3357 1 5 . 1 1 70 70 GLU CA C 70 55.438 55.438 54.998 0.440 19079 3358 1 5 . 1 1 70 70 GLU CB C 70 31.941 31.941 31.834 0.107 19079 3359 1 5 . 1 1 70 70 GLU H H 70 8.303 8.303 8.501 -0.198 19079 3360 1 5 . 1 1 71 71 CYS N N 71 118.985 118.985 123.881 -4.896 19079 3361 1 5 . 1 1 71 71 CYS HA H 71 5.283 5.283 4.984 0.299 19079 3362 1 5 . 1 1 71 71 CYS C C 71 173.987 173.987 173.588 0.399 19079 3363 1 5 . 1 1 71 71 CYS CA C 71 56.927 56.927 56.453 0.474 19079 3364 1 5 . 1 1 71 71 CYS CB C 71 32.056 32.056 31.746 0.310 19079 3365 1 5 . 1 1 71 71 CYS H H 71 8.044 8.044 8.328 -0.284 19079 3366 1 5 . 1 1 72 72 GLU N N 72 119.188 119.188 120.074 -0.886 19079 3367 1 5 . 1 1 72 72 GLU HA H 72 4.550 4.550 4.586 -0.036 19079 3368 1 5 . 1 1 72 72 GLU C C 72 175.540 175.540 175.081 0.459 19079 3369 1 5 . 1 1 72 72 GLU CA C 72 54.422 54.422 54.282 0.140 19079 3370 1 5 . 1 1 72 72 GLU CB C 72 32.723 32.723 30.632 2.091 19079 3371 1 5 . 1 1 72 72 GLU H H 72 8.651 8.651 8.943 -0.292 19079 3372 1 5 . 1 1 73 73 ALA N N 73 128.127 128.127 128.044 0.083 19079 3373 1 5 . 1 1 73 73 ALA HA H 73 4.894 4.894 4.575 0.319 19079 3374 1 5 . 1 1 73 73 ALA C C 73 177.065 177.065 176.762 0.303 19079 3375 1 5 . 1 1 73 73 ALA CA C 73 51.934 51.934 51.885 0.049 19079 3376 1 5 . 1 1 73 73 ALA CB C 73 19.744 19.744 19.520 0.224 19079 3377 1 5 . 1 1 73 73 ALA H H 73 8.825 8.825 8.469 0.356 19079 3378 1 5 . 1 1 74 74 HIS N N 74 120.049 120.049 122.867 -2.818 19079 3379 1 5 . 1 1 74 74 HIS HA H 74 4.730 4.730 4.738 -0.008 19079 3380 1 5 . 1 1 74 74 HIS C C 74 173.973 173.973 175.465 -1.492 19079 3381 1 5 . 1 1 74 74 HIS CA C 74 54.940 54.940 55.427 -0.487 19079 3382 1 5 . 1 1 74 74 HIS CB C 74 32.641 32.641 33.176 -0.535 19079 3383 1 5 . 1 1 74 74 HIS H H 74 8.813 8.813 8.799 0.014 19079 3384 1 5 . 1 1 75 75 ASP N N 75 125.469 125.469 125.183 0.286 19079 3385 1 5 . 1 1 75 75 ASP HA H 75 4.619 4.619 4.578 0.041 19079 3386 1 5 . 1 1 75 75 ASP CA C 75 57.576 57.576 57.322 0.254 19079 3387 1 5 . 1 1 75 75 ASP CB C 75 42.215 42.215 41.468 0.747 19079 3388 1 5 . 1 1 75 75 ASP H H 75 8.951 8.951 8.976 -0.025 19079 3389 1 5 . 1 1 76 76 TRP N N 76 113.768 113.768 115.173 -1.405 19079 3390 1 5 . 1 1 76 76 TRP HA H 76 5.455 5.455 5.242 0.213 19079 3391 1 5 . 1 1 76 76 TRP CA C 76 54.833 54.833 56.694 -1.861 19079 3392 1 5 . 1 1 76 76 TRP CB C 76 31.701 31.701 30.751 0.950 19079 3393 1 5 . 1 1 76 76 TRP H H 76 7.574 7.574 7.422 0.152 19079 3394 1 5 . 1 1 77 77 TYR N N 77 122.650 122.650 120.717 1.933 19079 3395 1 5 . 1 1 77 77 TYR CA C 77 57.248 57.248 55.815 1.433 19079 3396 1 5 . 1 1 77 77 TYR CB C 77 33.700 33.700 42.042 -8.342 19079 3397 1 5 . 1 1 77 77 TYR H H 77 8.981 8.981 8.176 0.805 19079 3398 1 5 . 1 1 78 78 PRO HA H 78 4.493 4.493 4.799 -0.306 19079 3399 1 5 . 1 1 78 78 PRO CA C 78 62.242 62.242 62.887 -0.645 19079 3400 1 5 . 1 1 78 78 PRO CB C 78 31.237 31.237 32.032 -0.795 19079 3401 1 5 . 1 1 79 79 VAL N N 79 123.871 123.871 125.896 -2.025 19079 3402 1 5 . 1 1 79 79 VAL HA H 79 3.953 3.953 4.494 -0.541 19079 3403 1 5 . 1 1 79 79 VAL C C 79 174.991 174.991 174.275 0.716 19079 3404 1 5 . 1 1 79 79 VAL CA C 79 61.545 61.545 59.447 2.098 19079 3405 1 5 . 1 1 79 79 VAL CB C 79 33.090 33.090 33.546 -0.456 19079 3406 1 5 . 1 1 79 79 VAL H H 79 8.512 8.512 9.097 -0.585 19079 3407 1 5 . 1 1 80 80 GLU N N 80 124.050 124.050 127.889 -3.839 19079 3408 1 5 . 1 1 80 80 GLU HA H 80 4.072 4.072 4.111 -0.039 19079 3409 1 5 . 1 1 80 80 GLU C C 80 175.607 175.607 175.275 0.332 19079 3410 1 5 . 1 1 80 80 GLU CA C 80 56.291 56.291 56.282 0.009 19079 3411 1 5 . 1 1 80 80 GLU CB C 80 30.272 30.272 29.832 0.440 19079 3412 1 5 . 1 1 80 80 GLU H H 80 8.068 8.068 8.562 -0.494 19079 3413 1 5 . 1 1 81 81 GLU N N 81 120.701 120.701 122.376 -1.675 19079 3414 1 5 . 1 1 81 81 GLU HA H 81 4.194 4.194 4.188 0.006 19079 3415 1 5 . 1 1 81 81 GLU C C 81 175.817 175.817 176.255 -0.438 19079 3416 1 5 . 1 1 81 81 GLU CA C 81 57.390 57.390 57.045 0.344 19079 3417 1 5 . 1 1 81 81 GLU CB C 81 30.713 30.713 30.004 0.709 19079 3418 1 5 . 1 1 81 81 GLU H H 81 8.751 8.751 8.622 0.129 19079 3419 1 5 . 1 1 82 82 THR N N 82 115.162 115.162 115.784 -0.622 19079 3420 1 5 . 1 1 82 82 THR HA H 82 4.688 4.688 4.521 0.167 19079 3421 1 5 . 1 1 82 82 THR CA C 82 60.041 60.041 60.269 -0.228 19079 3422 1 5 . 1 1 82 82 THR CB C 82 73.866 73.866 69.501 4.365 19079 3423 1 5 . 1 1 82 82 THR H H 82 8.631 8.631 8.649 -0.018 19079 3424 1 5 . 1 1 83 83 GLN N N 83 116.650 116.650 120.274 -3.624 19079 3425 1 5 . 1 1 83 83 GLN HA H 83 4.629 4.629 3.778 0.851 19079 3426 1 5 . 1 1 83 83 GLN CA C 83 57.643 57.643 59.222 -1.579 19079 3427 1 5 . 1 1 83 83 GLN CB C 83 30.537 30.537 26.984 3.553 19079 3428 1 5 . 1 1 83 83 GLN H H 83 8.714 8.714 8.385 0.329 19079 3429 1 5 . 1 1 86 86 PRO HA H 86 4.779 4.779 4.300 0.479 19079 3430 1 5 . 1 1 86 86 PRO CA C 86 62.018 62.018 62.077 -0.059 19079 3431 1 5 . 1 1 86 86 PRO CB C 86 32.818 32.818 33.146 -0.328 19079 3432 1 5 . 1 1 87 87 LYS N N 87 123.136 123.136 121.111 2.025 19079 3433 1 5 . 1 1 87 87 LYS HA H 87 4.545 4.545 4.477 0.068 19079 3434 1 5 . 1 1 87 87 LYS C C 87 176.411 176.411 176.090 0.321 19079 3435 1 5 . 1 1 87 87 LYS CA C 87 57.800 57.800 56.639 1.161 19079 3436 1 5 . 1 1 87 87 LYS CB C 87 32.322 32.322 32.787 -0.465 19079 3437 1 5 . 1 1 87 87 LYS H H 87 8.936 8.936 8.142 0.794 19079 3438 1 5 . 1 1 88 88 HIS N N 88 119.788 119.788 122.599 -2.811 19079 3439 1 5 . 1 1 88 88 HIS HA H 88 4.973 4.973 4.603 0.370 19079 3440 1 5 . 1 1 88 88 HIS C C 88 171.431 171.431 173.152 -1.721 19079 3441 1 5 . 1 1 88 88 HIS CA C 88 55.171 55.171 55.613 -0.442 19079 3442 1 5 . 1 1 88 88 HIS CB C 88 29.695 29.695 33.619 -3.924 19079 3443 1 5 . 1 1 88 88 HIS H H 88 8.490 8.490 8.438 0.052 19079 3444 1 5 . 1 1 89 89 ILE N N 89 120.371 120.371 120.773 -0.402 19079 3445 1 5 . 1 1 89 89 ILE HA H 89 4.453 4.453 4.723 -0.270 19079 3446 1 5 . 1 1 89 89 ILE C C 89 176.167 176.167 174.690 1.477 19079 3447 1 5 . 1 1 89 89 ILE CA C 89 60.066 60.066 59.149 0.917 19079 3448 1 5 . 1 1 89 89 ILE CB C 89 38.855 38.855 37.955 0.900 19079 3449 1 5 . 1 1 89 89 ILE H H 89 8.417 8.417 8.303 0.114 19079 3450 1 5 . 1 1 90 90 GLN N N 90 122.913 122.913 124.483 -1.570 19079 3451 1 5 . 1 1 90 90 GLN HA H 90 5.313 5.313 4.146 1.167 19079 3452 1 5 . 1 1 90 90 GLN CA C 90 54.194 54.194 54.348 -0.154 19079 3453 1 5 . 1 1 90 90 GLN CB C 90 32.780 32.780 32.481 0.299 19079 3454 1 5 . 1 1 90 90 GLN H H 90 8.286 8.286 8.356 -0.070 19079 3455 1 5 . 1 1 91 91 TYR N N 91 117.779 117.779 115.624 2.155 19079 3456 1 5 . 1 1 91 91 TYR HA H 91 5.394 5.394 5.266 0.128 19079 3457 1 5 . 1 1 91 91 TYR C C 91 175.762 175.762 175.536 0.226 19079 3458 1 5 . 1 1 91 91 TYR CA C 91 56.672 56.672 55.926 0.746 19079 3459 1 5 . 1 1 91 91 TYR CB C 91 41.701 41.701 41.814 -0.113 19079 3460 1 5 . 1 1 91 91 TYR H H 91 8.086 8.086 8.324 -0.238 19079 3461 1 5 . 1 1 92 92 ASN N N 92 113.182 113.182 115.921 -2.739 19079 3462 1 5 . 1 1 92 92 ASN HA H 92 4.558 4.558 4.464 0.094 19079 3463 1 5 . 1 1 92 92 ASN C C 92 172.369 172.369 173.982 -1.613 19079 3464 1 5 . 1 1 92 92 ASN CA C 92 55.522 55.522 54.304 1.218 19079 3465 1 5 . 1 1 92 92 ASN CB C 92 37.732 37.732 36.526 1.206 19079 3466 1 5 . 1 1 92 92 ASN H H 92 8.529 8.529 8.683 -0.154 19079 3467 1 5 . 1 1 93 93 LEU N N 93 117.359 117.359 118.933 -1.574 19079 3468 1 5 . 1 1 93 93 LEU HA H 93 5.455 5.455 5.508 -0.053 19079 3469 1 5 . 1 1 93 93 LEU C C 93 177.709 177.709 175.582 2.127 19079 3470 1 5 . 1 1 93 93 LEU CA C 93 54.341 54.341 53.622 0.719 19079 3471 1 5 . 1 1 93 93 LEU CB C 93 47.006 47.006 46.519 0.487 19079 3472 1 5 . 1 1 93 93 LEU H H 93 7.846 7.846 8.179 -0.333 19079 3473 1 5 . 1 1 94 94 LEU N N 94 123.298 123.298 122.072 1.226 19079 3474 1 5 . 1 1 94 94 LEU HA H 94 5.014 5.014 5.057 -0.043 19079 3475 1 5 . 1 1 94 94 LEU C C 94 175.771 175.771 175.957 -0.186 19079 3476 1 5 . 1 1 94 94 LEU CA C 94 53.889 53.889 54.247 -0.358 19079 3477 1 5 . 1 1 94 94 LEU CB C 94 44.784 44.784 44.362 0.422 19079 3478 1 5 . 1 1 94 94 LEU H H 94 9.155 9.155 8.625 0.530 19079 3479 1 5 . 1 1 95 95 ILE N N 95 121.585 121.585 124.806 -3.221 19079 3480 1 5 . 1 1 95 95 ILE HA H 95 5.166 5.166 4.762 0.404 19079 3481 1 5 . 1 1 95 95 ILE C C 95 175.885 175.885 175.956 -0.071 19079 3482 1 5 . 1 1 95 95 ILE CA C 95 59.795 59.795 59.484 0.311 19079 3483 1 5 . 1 1 95 95 ILE CB C 95 39.820 39.820 38.239 1.581 19079 3484 1 5 . 1 1 95 95 ILE H H 95 8.920 8.920 7.921 0.999 19079 3485 1 5 . 1 1 96 96 GLY N N 96 115.891 115.891 115.497 0.394 19079 3486 1 5 . 1 1 96 96 GLY C C 96 171.937 171.937 172.343 -0.406 19079 3487 1 5 . 1 1 96 96 GLY CA C 96 44.865 44.865 44.283 0.582 19079 3488 1 5 . 1 1 96 96 GLY H H 96 9.223 9.223 8.836 0.387 19079 3489 1 5 . 1 1 97 97 GLU N N 97 119.340 119.340 122.497 -3.157 19079 3490 1 5 . 1 1 97 97 GLU HA H 97 4.831 4.831 4.727 0.104 19079 3491 1 5 . 1 1 97 97 GLU C C 97 175.567 175.567 175.508 0.059 19079 3492 1 5 . 1 1 97 97 GLU CA C 97 55.736 55.736 54.577 1.159 19079 3493 1 5 . 1 1 97 97 GLU CB C 97 31.009 31.009 30.818 0.191 19079 3494 1 5 . 1 1 97 97 GLU H H 97 8.197 8.197 8.062 0.135 19079 3495 1 5 . 1 1 98 98 GLY N N 98 113.912 113.912 112.110 1.802 19079 3496 1 5 . 1 1 98 98 GLY CA C 98 45.089 45.089 43.810 1.278 19079 3497 1 5 . 1 1 98 98 GLY H H 98 7.767 7.767 7.775 -0.008 19079 3498 1 5 . 1 1 99 99 PRO HA H 99 4.347 4.347 4.512 -0.165 19079 3499 1 5 . 1 1 99 99 PRO CA C 99 62.396 62.396 62.477 -0.081 19079 3500 1 5 . 1 1 99 99 PRO CB C 99 32.558 32.558 33.189 -0.631 19079 3501 1 5 . 1 1 100 100 CYS N N 100 122.972 122.972 122.342 0.630 19079 3502 1 5 . 1 1 100 100 CYS HA H 100 4.567 4.567 4.838 -0.271 19079 3503 1 5 . 1 1 100 100 CYS C C 100 172.077 172.077 172.779 -0.702 19079 3504 1 5 . 1 1 100 100 CYS CA C 100 60.097 60.097 57.721 2.377 19079 3505 1 5 . 1 1 100 100 CYS CB C 100 28.063 28.063 28.470 -0.407 19079 3506 1 5 . 1 1 100 100 CYS H H 100 8.219 8.219 8.297 -0.078 19079 3507 1 5 . 1 1 101 101 VAL N N 101 123.973 123.973 124.044 -0.071 19079 3508 1 5 . 1 1 101 101 VAL HA H 101 4.888 4.888 4.528 0.360 19079 3509 1 5 . 1 1 101 101 VAL CA C 101 58.947 58.947 58.499 0.448 19079 3510 1 5 . 1 1 101 101 VAL CB C 101 32.322 32.322 33.381 -1.059 19079 3511 1 5 . 1 1 101 101 VAL H H 101 8.662 8.662 8.101 0.561 19079 3512 1 5 . 1 1 103 103 GLY C C 103 175.333 175.333 174.950 0.383 19079 3513 1 5 . 1 1 103 103 GLY CA C 103 45.683 45.683 45.782 -0.099 19079 3514 1 5 . 1 1 104 104 ASP N N 104 121.740 121.740 122.788 -1.048 19079 3515 1 5 . 1 1 104 104 ASP HA H 104 4.836 4.836 4.436 0.400 19079 3516 1 5 . 1 1 104 104 ASP C C 104 176.601 176.601 176.045 0.556 19079 3517 1 5 . 1 1 104 104 ASP CA C 104 54.700 54.700 55.809 -1.109 19079 3518 1 5 . 1 1 104 104 ASP CB C 104 41.322 41.322 41.205 0.117 19079 3519 1 5 . 1 1 104 104 ASP H H 104 8.217 8.217 7.941 0.277 19079 3520 1 5 . 1 1 105 105 ALA N N 105 121.750 121.750 120.162 1.588 19079 3521 1 5 . 1 1 105 105 ALA HA H 105 3.707 3.707 3.893 -0.186 19079 3522 1 5 . 1 1 105 105 ALA C C 105 175.218 175.218 177.576 -2.358 19079 3523 1 5 . 1 1 105 105 ALA CA C 105 54.002 54.002 53.389 0.613 19079 3524 1 5 . 1 1 105 105 ALA CB C 105 18.021 18.021 18.412 -0.391 19079 3525 1 5 . 1 1 105 105 ALA H H 105 7.672 7.672 7.969 -0.297 19079 3526 1 5 . 1 1 106 106 GLY N N 106 110.675 110.675 111.355 -0.680 19079 3527 1 5 . 1 1 106 106 GLY C C 106 174.112 174.112 174.687 -0.575 19079 3528 1 5 . 1 1 106 106 GLY CA C 106 45.354 45.354 44.711 0.643 19079 3529 1 5 . 1 1 106 106 GLY H H 106 8.781 8.781 7.936 0.845 19079 3530 1 5 . 1 1 107 107 GLY N N 107 104.052 104.052 109.954 -5.902 19079 3531 1 5 . 1 1 107 107 GLY C C 107 173.970 173.970 174.342 -0.372 19079 3532 1 5 . 1 1 107 107 GLY CA C 107 46.405 46.405 45.122 1.283 19079 3533 1 5 . 1 1 107 107 GLY H H 107 7.727 7.727 7.709 0.018 19079 3534 1 5 . 1 1 108 108 LYS N N 108 122.212 122.212 125.566 -3.354 19079 3535 1 5 . 1 1 108 108 LYS HA H 108 4.442 4.442 4.300 0.142 19079 3536 1 5 . 1 1 108 108 LYS C C 108 175.056 175.056 175.783 -0.727 19079 3537 1 5 . 1 1 108 108 LYS CA C 108 58.497 58.497 56.903 1.594 19079 3538 1 5 . 1 1 108 108 LYS CB C 108 36.053 36.053 33.550 2.503 19079 3539 1 5 . 1 1 108 108 LYS H H 108 8.553 8.553 8.484 0.069 19079 3540 1 5 . 1 1 109 109 LEU N N 109 119.300 119.300 127.801 -8.501 19079 3541 1 5 . 1 1 109 109 LEU HA H 109 4.881 4.881 5.333 -0.452 19079 3542 1 5 . 1 1 109 109 LEU C C 109 175.017 175.017 174.561 0.456 19079 3543 1 5 . 1 1 109 109 LEU CA C 109 53.372 53.372 53.888 -0.515 19079 3544 1 5 . 1 1 109 109 LEU CB C 109 43.275 43.275 43.951 -0.676 19079 3545 1 5 . 1 1 109 109 LEU H H 109 8.065 8.065 9.111 -1.046 19079 3546 1 5 . 1 1 110 110 LEU N N 110 126.757 126.757 127.735 -0.978 19079 3547 1 5 . 1 1 110 110 LEU HA H 110 5.498 5.498 5.119 0.379 19079 3548 1 5 . 1 1 110 110 LEU C C 110 176.125 176.125 176.301 -0.176 19079 3549 1 5 . 1 1 110 110 LEU CA C 110 55.318 55.318 53.874 1.444 19079 3550 1 5 . 1 1 110 110 LEU CB C 110 44.799 44.799 44.472 0.327 19079 3551 1 5 . 1 1 110 110 LEU H H 110 9.450 9.450 9.140 0.310 19079 3552 1 5 . 1 1 111 111 CYS N N 111 118.897 118.897 121.571 -2.674 19079 3553 1 5 . 1 1 111 111 CYS HA H 111 5.254 5.254 4.916 0.338 19079 3554 1 5 . 1 1 111 111 CYS C C 111 177.063 177.063 176.081 0.982 19079 3555 1 5 . 1 1 111 111 CYS CA C 111 57.201 57.201 56.439 0.762 19079 3556 1 5 . 1 1 111 111 CYS CB C 111 32.532 32.532 30.897 1.635 19079 3557 1 5 . 1 1 111 111 CYS H H 111 8.575 8.575 8.766 -0.191 19079 3558 1 5 . 1 1 112 112 ARG N N 112 116.382 116.382 119.971 -3.589 19079 3559 1 5 . 1 1 112 112 ARG HA H 112 3.918 3.918 4.028 -0.110 19079 3560 1 5 . 1 1 112 112 ARG C C 112 176.892 176.892 177.243 -0.351 19079 3561 1 5 . 1 1 112 112 ARG CA C 112 59.714 59.714 58.493 1.221 19079 3562 1 5 . 1 1 112 112 ARG CB C 112 29.874 29.874 29.508 0.366 19079 3563 1 5 . 1 1 112 112 ARG H H 112 8.350 8.350 8.898 -0.548 19079 3564 1 5 . 1 1 113 113 HIS N N 113 121.579 121.579 113.987 7.592 19079 3565 1 5 . 1 1 113 113 HIS HA H 113 4.480 4.480 4.686 -0.206 19079 3566 1 5 . 1 1 113 113 HIS C C 113 175.439 175.439 175.607 -0.168 19079 3567 1 5 . 1 1 113 113 HIS CA C 113 58.739 58.739 55.907 2.832 19079 3568 1 5 . 1 1 113 113 HIS CB C 113 31.050 31.050 31.783 -0.733 19079 3569 1 5 . 1 1 113 113 HIS H H 113 10.445 10.445 7.881 2.564 19079 3570 1 5 . 1 1 114 114 GLY N N 114 108.273 108.273 105.830 2.443 19079 3571 1 5 . 1 1 114 114 GLY C C 114 169.307 169.307 172.838 -3.531 19079 3572 1 5 . 1 1 114 114 GLY CA C 114 45.413 45.413 44.805 0.608 19079 3573 1 5 . 1 1 114 114 GLY H H 114 7.689 7.689 7.542 0.147 19079 3574 1 5 . 1 1 115 115 VAL N N 115 120.998 120.998 121.716 -0.718 19079 3575 1 5 . 1 1 115 115 VAL HA H 115 4.476 4.476 4.096 0.380 19079 3576 1 5 . 1 1 115 115 VAL C C 115 173.881 173.881 176.477 -2.596 19079 3577 1 5 . 1 1 115 115 VAL CA C 115 62.513 62.513 64.808 -2.295 19079 3578 1 5 . 1 1 115 115 VAL CB C 115 32.113 32.113 32.050 0.063 19079 3579 1 5 . 1 1 115 115 VAL H H 115 8.455 8.455 8.442 0.013 19079 3580 1 5 . 1 1 116 116 ILE N N 116 114.566 114.566 117.556 -2.990 19079 3581 1 5 . 1 1 116 116 ILE HA H 116 4.603 4.603 4.624 -0.021 19079 3582 1 5 . 1 1 116 116 ILE C C 116 175.445 175.445 174.888 0.557 19079 3583 1 5 . 1 1 116 116 ILE CA C 116 61.470 61.470 60.058 1.412 19079 3584 1 5 . 1 1 116 116 ILE CB C 116 40.782 40.782 39.277 1.505 19079 3585 1 5 . 1 1 116 116 ILE H H 116 8.460 8.460 9.064 -0.604 19079 3586 1 5 . 1 1 117 117 GLY N N 117 106.195 106.195 107.791 -1.596 19079 3587 1 5 . 1 1 117 117 GLY C C 117 171.664 171.664 171.911 -0.247 19079 3588 1 5 . 1 1 117 117 GLY CA C 117 46.303 46.303 45.597 0.706 19079 3589 1 5 . 1 1 117 117 GLY H H 117 7.827 7.827 7.521 0.306 19079 3590 1 5 . 1 1 118 118 ILE N N 118 109.501 109.501 114.874 -5.373 19079 3591 1 5 . 1 1 118 118 ILE HA H 118 5.611 5.611 5.611 0.000 19079 3592 1 5 . 1 1 118 118 ILE C C 118 176.642 176.642 175.315 1.327 19079 3593 1 5 . 1 1 118 118 ILE CA C 118 58.787 58.787 57.870 0.916 19079 3594 1 5 . 1 1 118 118 ILE CB C 118 43.351 43.351 42.031 1.320 19079 3595 1 5 . 1 1 118 118 ILE H H 118 7.571 7.571 7.887 -0.316 19079 3596 1 5 . 1 1 119 119 ILE N N 119 124.258 124.258 119.695 4.563 19079 3597 1 5 . 1 1 119 119 ILE HA H 119 3.774 3.774 3.665 0.109 19079 3598 1 5 . 1 1 119 119 ILE C C 119 177.447 177.447 176.352 1.095 19079 3599 1 5 . 1 1 119 119 ILE CA C 119 64.399 64.399 61.601 2.798 19079 3600 1 5 . 1 1 119 119 ILE CB C 119 39.393 39.393 36.450 2.943 19079 3601 1 5 . 1 1 119 119 ILE H H 119 9.465 9.465 8.043 1.422 19079 3602 1 5 . 1 1 120 120 THR N N 120 122.153 122.153 122.804 -0.651 19079 3603 1 5 . 1 1 120 120 THR HA H 120 4.670 4.670 4.355 0.315 19079 3604 1 5 . 1 1 120 120 THR C C 120 171.416 171.416 173.780 -2.364 19079 3605 1 5 . 1 1 120 120 THR CA C 120 61.440 61.440 61.184 0.256 19079 3606 1 5 . 1 1 120 120 THR CB C 120 70.455 70.455 70.086 0.369 19079 3607 1 5 . 1 1 120 120 THR H H 120 9.400 9.400 7.979 1.421 19079 3608 1 5 . 1 1 121 121 ALA N N 121 124.014 124.014 121.179 2.835 19079 3609 1 5 . 1 1 121 121 ALA HA H 121 4.583 4.583 4.673 -0.090 19079 3610 1 5 . 1 1 121 121 ALA C C 121 173.695 173.695 174.838 -1.143 19079 3611 1 5 . 1 1 121 121 ALA CA C 121 51.833 51.833 50.884 0.949 19079 3612 1 5 . 1 1 121 121 ALA CB C 121 22.523 22.523 21.040 1.483 19079 3613 1 5 . 1 1 121 121 ALA H H 121 7.885 7.885 7.021 0.864 19079 3614 1 5 . 1 1 122 122 GLY N N 122 103.252 103.252 106.420 -3.168 19079 3615 1 5 . 1 1 122 122 GLY C C 122 172.124 172.124 173.382 -1.258 19079 3616 1 5 . 1 1 122 122 GLY CA C 122 45.917 45.917 45.269 0.648 19079 3617 1 5 . 1 1 122 122 GLY H H 122 7.828 7.828 8.218 -0.390 19079 3618 1 5 . 1 1 123 123 GLY N N 123 107.688 107.688 107.709 -0.021 19079 3619 1 5 . 1 1 123 123 GLY C C 123 174.470 174.470 172.784 1.686 19079 3620 1 5 . 1 1 123 123 GLY CA C 123 45.051 45.051 45.070 -0.019 19079 3621 1 5 . 1 1 123 123 GLY H H 123 8.285 8.285 8.766 -0.481 19079 3622 1 5 . 1 1 124 124 ASP N N 124 120.288 120.288 122.185 -1.897 19079 3623 1 5 . 1 1 124 124 ASP HA H 124 4.621 4.621 4.747 -0.126 19079 3624 1 5 . 1 1 124 124 ASP C C 124 176.061 176.061 176.949 -0.888 19079 3625 1 5 . 1 1 124 124 ASP CA C 124 55.465 55.465 54.403 1.062 19079 3626 1 5 . 1 1 124 124 ASP CB C 124 40.111 40.111 40.276 -0.165 19079 3627 1 5 . 1 1 124 124 ASP H H 124 9.054 9.054 8.436 0.618 19079 3628 1 5 . 1 1 125 125 GLY N N 125 105.482 105.482 113.118 -7.636 19079 3629 1 5 . 1 1 125 125 GLY C C 125 174.566 174.566 173.199 1.367 19079 3630 1 5 . 1 1 125 125 GLY CA C 125 45.493 45.493 45.633 -0.140 19079 3631 1 5 . 1 1 125 125 GLY H H 125 8.567 8.567 8.882 -0.315 19079 3632 1 5 . 1 1 126 126 HIS N N 126 117.677 117.677 116.614 1.063 19079 3633 1 5 . 1 1 126 126 HIS HA H 126 5.449 5.449 5.443 0.006 19079 3634 1 5 . 1 1 126 126 HIS C C 126 172.058 172.058 173.261 -1.203 19079 3635 1 5 . 1 1 126 126 HIS CA C 126 54.653 54.653 55.047 -0.394 19079 3636 1 5 . 1 1 126 126 HIS CB C 126 31.709 31.709 34.106 -2.397 19079 3637 1 5 . 1 1 126 126 HIS H H 126 7.852 7.852 7.244 0.608 19079 3638 1 5 . 1 1 127 127 VAL N N 127 121.145 121.145 121.638 -0.493 19079 3639 1 5 . 1 1 127 127 VAL HA H 127 4.230 4.230 4.339 -0.109 19079 3640 1 5 . 1 1 127 127 VAL C C 127 170.317 170.317 173.391 -3.074 19079 3641 1 5 . 1 1 127 127 VAL CA C 127 60.125 60.125 59.743 0.382 19079 3642 1 5 . 1 1 127 127 VAL CB C 127 34.681 34.681 34.776 -0.095 19079 3643 1 5 . 1 1 127 127 VAL H H 127 8.857 8.857 8.108 0.749 19079 3644 1 5 . 1 1 128 128 ALA N N 128 127.867 127.867 131.644 -3.777 19079 3645 1 5 . 1 1 128 128 ALA HA H 128 5.222 5.222 4.853 0.369 19079 3646 1 5 . 1 1 128 128 ALA C C 128 175.506 175.506 175.636 -0.130 19079 3647 1 5 . 1 1 128 128 ALA CA C 128 49.199 49.199 50.882 -1.683 19079 3648 1 5 . 1 1 128 128 ALA CB C 128 21.731 21.731 20.774 0.957 19079 3649 1 5 . 1 1 128 128 ALA H H 128 8.400 8.400 8.173 0.227 19079 3650 1 5 . 1 1 129 129 PHE N N 129 121.202 121.202 118.623 2.579 19079 3651 1 5 . 1 1 129 129 PHE HA H 129 5.301 5.301 5.103 0.198 19079 3652 1 5 . 1 1 129 129 PHE C C 129 176.082 176.082 175.576 0.506 19079 3653 1 5 . 1 1 129 129 PHE CA C 129 54.759 54.759 56.823 -2.064 19079 3654 1 5 . 1 1 129 129 PHE CB C 129 41.372 41.372 43.729 -2.357 19079 3655 1 5 . 1 1 129 129 PHE H H 129 9.689 9.689 8.303 1.386 19079 3656 1 5 . 1 1 130 130 THR N N 130 121.809 121.809 120.260 1.549 19079 3657 1 5 . 1 1 130 130 THR HA H 130 4.573 4.573 4.623 -0.050 19079 3658 1 5 . 1 1 130 130 THR C C 130 173.050 173.050 174.216 -1.166 19079 3659 1 5 . 1 1 130 130 THR CA C 130 63.487 63.487 61.846 1.641 19079 3660 1 5 . 1 1 130 130 THR CB C 130 70.852 70.852 69.239 1.613 19079 3661 1 5 . 1 1 130 130 THR H H 130 8.848 8.848 8.934 -0.086 19079 3662 1 5 . 1 1 131 131 ASP N N 131 128.382 128.382 130.133 -1.751 19079 3663 1 5 . 1 1 131 131 ASP HA H 131 4.915 4.915 4.711 0.204 19079 3664 1 5 . 1 1 131 131 ASP C C 131 175.616 175.616 176.666 -1.050 19079 3665 1 5 . 1 1 131 131 ASP CA C 131 52.924 52.924 55.540 -2.616 19079 3666 1 5 . 1 1 131 131 ASP CB C 131 41.513 41.513 40.817 0.696 19079 3667 1 5 . 1 1 131 131 ASP H H 131 8.722 8.722 8.465 0.257 19079 3668 1 5 . 1 1 132 132 LEU N N 132 123.250 123.250 126.201 -2.951 19079 3669 1 5 . 1 1 132 132 LEU HA H 132 4.325 4.325 4.309 0.016 19079 3670 1 5 . 1 1 132 132 LEU C C 132 179.704 179.704 178.766 0.938 19079 3671 1 5 . 1 1 132 132 LEU CA C 132 55.286 55.286 55.336 -0.050 19079 3672 1 5 . 1 1 132 132 LEU CB C 132 42.640 42.640 42.145 0.495 19079 3673 1 5 . 1 1 132 132 LEU H H 132 8.788 8.788 8.247 0.541 19079 3674 1 5 . 1 1 133 133 ARG N N 133 119.561 119.561 120.993 -1.432 19079 3675 1 5 . 1 1 133 133 ARG HA H 133 3.977 3.977 4.117 -0.140 19079 3676 1 5 . 1 1 133 133 ARG C C 133 177.476 177.476 175.752 1.724 19079 3677 1 5 . 1 1 133 133 ARG CA C 133 61.799 61.799 61.394 0.405 19079 3678 1 5 . 1 1 133 133 ARG CB C 133 27.601 27.601 28.282 -0.681 19079 3679 1 5 . 1 1 133 133 ARG H H 133 8.961 8.961 7.615 1.346 19079 3680 1 5 . 1 1 134 134 PRO HA H 134 4.284 4.284 4.297 -0.013 19079 3681 1 5 . 1 1 134 134 PRO C C 134 175.695 175.695 176.519 -0.824 19079 3682 1 5 . 1 1 134 134 PRO CA C 134 64.508 64.508 63.880 0.628 19079 3683 1 5 . 1 1 134 134 PRO CB C 134 31.008 31.008 31.670 -0.662 19079 3684 1 5 . 1 1 135 135 TYR N N 135 114.745 114.745 118.096 -3.351 19079 3685 1 5 . 1 1 135 135 TYR HA H 135 4.420 4.420 4.456 -0.036 19079 3686 1 5 . 1 1 135 135 TYR C C 135 175.146 175.146 174.301 0.845 19079 3687 1 5 . 1 1 135 135 TYR CA C 135 57.322 57.322 58.545 -1.223 19079 3688 1 5 . 1 1 135 135 TYR CB C 135 39.549 39.549 37.672 1.877 19079 3689 1 5 . 1 1 135 135 TYR H H 135 7.419 7.419 7.823 -0.404 19079 3690 1 5 . 1 1 136 136 ASN N N 136 119.088 119.088 115.209 3.879 19079 3691 1 5 . 1 1 136 136 ASN HA H 136 4.622 4.622 4.808 -0.186 19079 3692 1 5 . 1 1 136 136 ASN C C 136 175.650 175.650 174.386 1.264 19079 3693 1 5 . 1 1 136 136 ASN CA C 136 53.601 53.601 51.725 1.876 19079 3694 1 5 . 1 1 136 136 ASN CB C 136 38.741 38.741 40.828 -2.087 19079 3695 1 5 . 1 1 136 136 ASN H H 136 7.245 7.245 7.461 -0.216 19079 3696 1 5 . 1 1 137 137 ILE N N 137 126.031 126.031 122.314 3.717 19079 3697 1 5 . 1 1 137 137 ILE HA H 137 4.135 4.135 4.314 -0.179 19079 3698 1 5 . 1 1 137 137 ILE C C 137 175.636 175.636 175.678 -0.042 19079 3699 1 5 . 1 1 137 137 ILE CA C 137 61.215 61.215 60.073 1.142 19079 3700 1 5 . 1 1 137 137 ILE CB C 137 38.380 38.380 34.667 3.713 19079 3701 1 5 . 1 1 137 137 ILE H H 137 7.849 7.849 8.585 -0.736 19079 3702 1 5 . 1 1 138 138 LYS N N 138 125.271 125.271 125.415 -0.144 19079 3703 1 5 . 1 1 138 138 LYS HA H 138 4.368 4.368 4.224 0.144 19079 3704 1 5 . 1 1 138 138 LYS C C 138 176.110 176.110 176.465 -0.355 19079 3705 1 5 . 1 1 138 138 LYS CA C 138 55.906 55.906 55.962 -0.056 19079 3706 1 5 . 1 1 138 138 LYS CB C 138 33.564 33.564 32.625 0.939 19079 3707 1 5 . 1 1 138 138 LYS H H 138 8.171 8.171 7.641 0.530 19079 3708 1 5 . 1 1 139 139 ALA N N 139 124.226 124.226 121.039 3.187 19079 3709 1 5 . 1 1 139 139 ALA HA H 139 4.384 4.384 4.271 0.113 19079 3710 1 5 . 1 1 139 139 ALA C C 139 177.788 177.788 177.464 0.324 19079 3711 1 5 . 1 1 139 139 ALA CA C 139 52.522 52.522 52.257 0.265 19079 3712 1 5 . 1 1 139 139 ALA CB C 139 19.531 19.531 19.092 0.439 19079 3713 1 5 . 1 1 139 139 ALA H H 139 8.207 8.207 8.216 -0.009 19079 3714 1 5 . 1 1 140 140 THR N N 140 112.869 112.869 115.745 -2.876 19079 3715 1 5 . 1 1 140 140 THR HA H 140 4.390 4.390 4.467 -0.077 19079 3716 1 5 . 1 1 140 140 THR C C 140 174.522 174.522 173.765 0.757 19079 3717 1 5 . 1 1 140 140 THR CA C 140 61.685 61.685 62.411 -0.726 19079 3718 1 5 . 1 1 140 140 THR CB C 140 69.961 69.961 68.404 1.557 19079 3719 1 5 . 1 1 140 140 THR H H 140 8.094 8.094 8.260 -0.166 19079 3720 1 5 . 1 1 141 141 SER N N 141 118.138 118.138 121.060 -2.922 19079 3721 1 5 . 1 1 141 141 SER HA H 141 4.500 4.500 4.499 0.001 19079 3722 1 5 . 1 1 141 141 SER C C 141 173.503 173.503 174.377 -0.874 19079 3723 1 5 . 1 1 141 141 SER CA C 141 58.315 58.315 57.551 0.764 19079 3724 1 5 . 1 1 141 141 SER CB C 141 64.039 64.039 63.624 0.415 19079 3725 1 5 . 1 1 141 141 SER H H 141 8.209 8.209 8.623 -0.414 19079 3726 1 6 . 1 1 2 2 PRO HA H 2 4.360 4.360 4.637 -0.277 19079 3727 1 6 . 1 1 2 2 PRO C C 2 178.185 178.185 175.899 2.286 19079 3728 1 6 . 1 1 2 2 PRO CA C 2 65.722 65.722 62.491 3.231 19079 3729 1 6 . 1 1 2 2 PRO CB C 2 33.078 33.078 33.049 0.029 19079 3730 1 6 . 1 1 3 3 SER N N 3 112.403 112.403 115.321 -2.918 19079 3731 1 6 . 1 1 3 3 SER HA H 3 3.136 3.136 4.321 -1.185 19079 3732 1 6 . 1 1 3 3 SER C C 3 172.101 172.101 172.734 -0.633 19079 3733 1 6 . 1 1 3 3 SER CA C 3 57.421 57.421 57.876 -0.455 19079 3734 1 6 . 1 1 3 3 SER CB C 3 62.812 62.812 65.261 -2.449 19079 3735 1 6 . 1 1 3 3 SER H H 3 8.494 8.494 8.168 0.326 19079 3736 1 6 . 1 1 4 4 ASP N N 4 119.024 119.024 124.498 -5.474 19079 3737 1 6 . 1 1 4 4 ASP HA H 4 4.438 4.438 4.471 -0.033 19079 3738 1 6 . 1 1 4 4 ASP C C 4 177.371 177.371 174.073 3.298 19079 3739 1 6 . 1 1 4 4 ASP CA C 4 54.800 54.800 53.818 0.982 19079 3740 1 6 . 1 1 4 4 ASP CB C 4 41.495 41.495 43.093 -1.598 19079 3741 1 6 . 1 1 4 4 ASP H H 4 6.841 6.841 8.033 -1.192 19079 3742 1 6 . 1 1 5 5 LEU N N 5 129.426 129.426 124.256 5.170 19079 3743 1 6 . 1 1 5 5 LEU HA H 5 4.526 4.526 4.396 0.130 19079 3744 1 6 . 1 1 5 5 LEU C C 5 176.246 176.246 174.648 1.598 19079 3745 1 6 . 1 1 5 5 LEU CA C 5 54.010 54.010 55.056 -1.046 19079 3746 1 6 . 1 1 5 5 LEU CB C 5 40.690 40.690 42.643 -1.953 19079 3747 1 6 . 1 1 5 5 LEU H H 5 8.781 8.781 7.739 1.042 19079 3748 1 6 . 1 1 6 6 PHE HA H 6 4.842 4.842 4.825 0.017 19079 3749 1 6 . 1 1 6 6 PHE C C 6 174.584 174.584 173.122 1.462 19079 3750 1 6 . 1 1 6 6 PHE CA C 6 56.782 56.782 56.861 -0.079 19079 3751 1 6 . 1 1 6 6 PHE CB C 6 39.576 39.576 40.047 -0.471 19079 3752 1 6 . 1 1 7 7 VAL N N 7 118.923 118.923 119.478 -0.555 19079 3753 1 6 . 1 1 7 7 VAL HA H 7 4.528 4.528 4.443 0.085 19079 3754 1 6 . 1 1 7 7 VAL C C 7 173.989 173.989 174.387 -0.398 19079 3755 1 6 . 1 1 7 7 VAL CA C 7 61.571 61.571 61.657 -0.086 19079 3756 1 6 . 1 1 7 7 VAL CB C 7 34.826 34.826 35.297 -0.471 19079 3757 1 6 . 1 1 7 7 VAL H H 7 8.586 8.586 8.762 -0.176 19079 3758 1 6 . 1 1 8 8 HIS N N 8 132.990 132.990 126.418 6.572 19079 3759 1 6 . 1 1 8 8 HIS HA H 8 5.997 5.997 4.941 1.056 19079 3760 1 6 . 1 1 8 8 HIS C C 8 174.184 174.184 174.281 -0.097 19079 3761 1 6 . 1 1 8 8 HIS CA C 8 53.113 53.113 54.271 -1.158 19079 3762 1 6 . 1 1 8 8 HIS CB C 8 33.889 33.889 30.665 3.224 19079 3763 1 6 . 1 1 8 8 HIS H H 8 10.809 10.809 8.630 2.179 19079 3764 1 6 . 1 1 9 9 THR N N 9 118.112 118.112 117.254 0.858 19079 3765 1 6 . 1 1 9 9 THR HA H 9 5.343 5.343 5.005 0.338 19079 3766 1 6 . 1 1 9 9 THR C C 9 175.788 175.788 174.637 1.151 19079 3767 1 6 . 1 1 9 9 THR CA C 9 59.768 59.768 61.141 -1.373 19079 3768 1 6 . 1 1 9 9 THR CB C 9 70.673 70.673 69.624 1.049 19079 3769 1 6 . 1 1 9 9 THR H H 9 9.512 9.512 8.083 1.429 19079 3770 1 6 . 1 1 10 10 GLU N N 10 117.927 117.927 124.412 -6.485 19079 3771 1 6 . 1 1 10 10 GLU HA H 10 4.096 4.096 3.937 0.159 19079 3772 1 6 . 1 1 10 10 GLU C C 10 176.321 176.321 177.475 -1.154 19079 3773 1 6 . 1 1 10 10 GLU CA C 10 59.900 59.900 57.655 2.245 19079 3774 1 6 . 1 1 10 10 GLU CB C 10 29.983 29.983 27.791 2.192 19079 3775 1 6 . 1 1 10 10 GLU H H 10 8.812 8.812 9.004 -0.192 19079 3776 1 6 . 1 1 11 11 GLN N N 11 110.877 110.877 120.591 -9.714 19079 3777 1 6 . 1 1 11 11 GLN HA H 11 4.621 4.621 4.093 0.528 19079 3778 1 6 . 1 1 11 11 GLN C C 11 175.391 175.391 175.238 0.153 19079 3779 1 6 . 1 1 11 11 GLN CA C 11 56.071 56.071 57.294 -1.224 19079 3780 1 6 . 1 1 11 11 GLN CB C 11 31.963 31.963 29.176 2.787 19079 3781 1 6 . 1 1 11 11 GLN H H 11 7.797 7.797 8.520 -0.723 19079 3782 1 6 . 1 1 12 12 ALA N N 12 122.143 122.143 121.096 1.047 19079 3783 1 6 . 1 1 12 12 ALA HA H 12 5.049 5.049 5.230 -0.181 19079 3784 1 6 . 1 1 12 12 ALA C C 12 174.293 174.293 175.720 -1.427 19079 3785 1 6 . 1 1 12 12 ALA CA C 12 51.943 51.943 49.775 2.168 19079 3786 1 6 . 1 1 12 12 ALA CB C 12 23.177 23.177 20.738 2.439 19079 3787 1 6 . 1 1 12 12 ALA H H 12 7.814 7.814 7.296 0.518 19079 3788 1 6 . 1 1 13 13 ILE N N 13 119.589 119.589 125.230 -5.641 19079 3789 1 6 . 1 1 13 13 ILE HA H 13 5.399 5.399 4.405 0.994 19079 3790 1 6 . 1 1 13 13 ILE C C 13 174.295 174.295 174.897 -0.602 19079 3791 1 6 . 1 1 13 13 ILE CA C 13 60.102 60.102 59.957 0.145 19079 3792 1 6 . 1 1 13 13 ILE CB C 13 41.080 41.080 38.810 2.270 19079 3793 1 6 . 1 1 13 13 ILE H H 13 9.206 9.206 7.968 1.238 19079 3794 1 6 . 1 1 14 14 TYR N N 14 127.337 127.337 129.175 -1.838 19079 3795 1 6 . 1 1 14 14 TYR HA H 14 4.853 4.853 4.929 -0.076 19079 3796 1 6 . 1 1 14 14 TYR C C 14 172.793 172.793 175.244 -2.451 19079 3797 1 6 . 1 1 14 14 TYR CA C 14 56.784 56.784 57.768 -0.984 19079 3798 1 6 . 1 1 14 14 TYR CB C 14 39.797 39.797 38.405 1.392 19079 3799 1 6 . 1 1 14 14 TYR H H 14 9.794 9.794 8.867 0.927 19079 3800 1 6 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.817 -0.445 19079 3801 1 6 . 1 1 15 15 LYS CA C 15 55.924 55.924 54.648 1.276 19079 3802 1 6 . 1 1 15 15 LYS CB C 15 33.563 33.563 37.654 -4.091 19079 3803 1 6 . 1 1 15 15 LYS H H 15 7.550 7.550 8.658 -1.108 19079 3804 1 6 . 1 1 16 16 ASN N N 16 107.943 107.943 121.102 -13.159 19079 3805 1 6 . 1 1 16 16 ASN HA H 16 5.098 5.098 4.857 0.241 19079 3806 1 6 . 1 1 16 16 ASN C C 16 176.475 176.475 176.707 -0.232 19079 3807 1 6 . 1 1 16 16 ASN CA C 16 54.072 54.072 54.602 -0.530 19079 3808 1 6 . 1 1 16 16 ASN CB C 16 38.619 38.619 38.150 0.469 19079 3809 1 6 . 1 1 16 16 ASN H H 16 8.156 8.156 9.029 -0.873 19079 3810 1 6 . 1 1 17 17 ALA N N 17 127.319 127.319 128.258 -0.939 19079 3811 1 6 . 1 1 17 17 ALA HA H 17 3.608 3.608 4.178 -0.570 19079 3812 1 6 . 1 1 17 17 ALA C C 17 180.081 180.081 178.896 1.185 19079 3813 1 6 . 1 1 17 17 ALA CA C 17 54.282 54.282 54.789 -0.507 19079 3814 1 6 . 1 1 17 17 ALA CB C 17 17.646 17.646 18.941 -1.295 19079 3815 1 6 . 1 1 17 17 ALA H H 17 7.573 7.573 8.083 -0.510 19079 3816 1 6 . 1 1 18 18 HIS N N 18 108.625 108.625 116.433 -7.808 19079 3817 1 6 . 1 1 18 18 HIS HA H 18 4.504 4.504 4.375 0.129 19079 3818 1 6 . 1 1 18 18 HIS C C 18 174.182 174.182 176.804 -2.622 19079 3819 1 6 . 1 1 18 18 HIS CA C 18 57.782 57.782 58.515 -0.733 19079 3820 1 6 . 1 1 18 18 HIS CB C 18 26.798 26.798 29.839 -3.041 19079 3821 1 6 . 1 1 18 18 HIS H H 18 8.118 8.118 8.009 0.109 19079 3822 1 6 . 1 1 19 19 LEU N N 19 117.682 117.682 116.741 0.941 19079 3823 1 6 . 1 1 19 19 LEU HA H 19 4.444 4.444 4.250 0.194 19079 3824 1 6 . 1 1 19 19 LEU C C 19 175.795 175.795 177.125 -1.330 19079 3825 1 6 . 1 1 19 19 LEU CA C 19 53.309 53.309 55.516 -2.207 19079 3826 1 6 . 1 1 19 19 LEU CB C 19 42.366 42.366 43.078 -0.712 19079 3827 1 6 . 1 1 19 19 LEU H H 19 6.677 6.677 7.459 -0.782 19079 3828 1 6 . 1 1 20 20 THR N N 20 116.187 116.187 108.780 7.407 19079 3829 1 6 . 1 1 20 20 THR HA H 20 4.700 4.700 4.409 0.291 19079 3830 1 6 . 1 1 20 20 THR C C 20 171.105 171.105 174.896 -3.791 19079 3831 1 6 . 1 1 20 20 THR CA C 20 58.570 58.570 61.925 -3.355 19079 3832 1 6 . 1 1 20 20 THR CB C 20 69.724 69.724 70.404 -0.681 19079 3833 1 6 . 1 1 20 20 THR H H 20 7.399 7.399 7.501 -0.102 19079 3834 1 6 . 1 1 21 21 THR N N 21 114.194 114.194 119.887 -5.693 19079 3835 1 6 . 1 1 21 21 THR HA H 21 5.124 5.124 3.985 1.139 19079 3836 1 6 . 1 1 21 21 THR CA C 21 58.991 58.991 61.567 -2.576 19079 3837 1 6 . 1 1 21 21 THR CB C 21 71.564 71.564 68.739 2.825 19079 3838 1 6 . 1 1 21 21 THR H H 21 8.410 8.410 7.888 0.522 19079 3839 1 6 . 1 1 22 22 PRO HA H 22 4.432 4.432 4.548 -0.116 19079 3840 1 6 . 1 1 22 22 PRO C C 22 175.895 175.895 177.017 -1.122 19079 3841 1 6 . 1 1 22 22 PRO CA C 22 63.390 63.390 62.677 0.713 19079 3842 1 6 . 1 1 22 22 PRO CB C 22 32.203 32.203 32.167 0.035 19079 3843 1 6 . 1 1 23 23 ASN N N 23 119.233 119.233 117.658 1.575 19079 3844 1 6 . 1 1 23 23 ASN HA H 23 5.032 5.032 4.488 0.544 19079 3845 1 6 . 1 1 23 23 ASN C C 23 175.963 175.963 175.644 0.319 19079 3846 1 6 . 1 1 23 23 ASN CA C 23 52.452 52.452 54.971 -2.519 19079 3847 1 6 . 1 1 23 23 ASN CB C 23 41.420 41.420 38.453 2.967 19079 3848 1 6 . 1 1 23 23 ASN H H 23 9.227 9.227 8.519 0.708 19079 3849 1 6 . 1 1 24 24 ASP N N 24 119.074 119.074 117.570 1.504 19079 3850 1 6 . 1 1 24 24 ASP HA H 24 4.417 4.417 4.742 -0.325 19079 3851 1 6 . 1 1 24 24 ASP C C 24 176.983 176.983 175.213 1.770 19079 3852 1 6 . 1 1 24 24 ASP CA C 24 56.942 56.942 54.018 2.924 19079 3853 1 6 . 1 1 24 24 ASP CB C 24 40.266 40.266 40.653 -0.387 19079 3854 1 6 . 1 1 24 24 ASP H H 24 8.649 8.649 8.252 0.397 19079 3855 1 6 . 1 1 25 25 GLN N N 25 116.580 116.580 118.765 -2.185 19079 3856 1 6 . 1 1 25 25 GLN HA H 25 4.425 4.425 4.603 -0.178 19079 3857 1 6 . 1 1 25 25 GLN C C 25 177.373 177.373 175.421 1.952 19079 3858 1 6 . 1 1 25 25 GLN CA C 25 55.419 55.419 55.489 -0.070 19079 3859 1 6 . 1 1 25 25 GLN CB C 25 28.933 28.933 29.185 -0.252 19079 3860 1 6 . 1 1 25 25 GLN H H 25 9.028 9.028 8.393 0.635 19079 3861 1 6 . 1 1 26 26 THR N N 26 122.196 122.196 111.388 10.808 19079 3862 1 6 . 1 1 26 26 THR HA H 26 4.779 4.779 4.655 0.124 19079 3863 1 6 . 1 1 26 26 THR C C 26 174.583 174.583 174.418 0.165 19079 3864 1 6 . 1 1 26 26 THR CA C 26 65.218 65.218 61.205 4.013 19079 3865 1 6 . 1 1 26 26 THR CB C 26 68.963 68.963 70.308 -1.345 19079 3866 1 6 . 1 1 26 26 THR H H 26 7.692 7.692 7.644 0.048 19079 3867 1 6 . 1 1 27 27 ILE N N 27 129.367 129.367 119.221 10.146 19079 3868 1 6 . 1 1 27 27 ILE HA H 27 4.112 4.112 4.261 -0.149 19079 3869 1 6 . 1 1 27 27 ILE C C 27 175.734 175.734 174.950 0.784 19079 3870 1 6 . 1 1 27 27 ILE CA C 27 62.558 62.558 61.594 0.964 19079 3871 1 6 . 1 1 27 27 ILE CB C 27 40.357 40.357 40.020 0.337 19079 3872 1 6 . 1 1 27 27 ILE H H 27 9.785 9.785 8.017 1.768 19079 3873 1 6 . 1 1 28 28 LEU N N 28 120.773 120.773 121.389 -0.616 19079 3874 1 6 . 1 1 28 28 LEU HA H 28 4.506 4.506 4.781 -0.275 19079 3875 1 6 . 1 1 28 28 LEU C C 28 173.083 173.083 174.092 -1.009 19079 3876 1 6 . 1 1 28 28 LEU CA C 28 55.337 55.337 54.728 0.609 19079 3877 1 6 . 1 1 28 28 LEU CB C 28 45.942 45.942 45.407 0.535 19079 3878 1 6 . 1 1 28 28 LEU H H 28 7.814 7.814 7.597 0.217 19079 3879 1 6 . 1 1 29 29 LEU N N 29 128.285 128.285 121.113 7.172 19079 3880 1 6 . 1 1 29 29 LEU HA H 29 4.798 4.798 5.326 -0.528 19079 3881 1 6 . 1 1 29 29 LEU C C 29 174.589 174.589 174.935 -0.346 19079 3882 1 6 . 1 1 29 29 LEU CA C 29 54.133 54.133 53.622 0.511 19079 3883 1 6 . 1 1 29 29 LEU CB C 29 43.909 43.909 46.042 -2.133 19079 3884 1 6 . 1 1 29 29 LEU H H 29 8.653 8.653 8.172 0.481 19079 3885 1 6 . 1 1 30 30 ALA N N 30 132.532 132.532 123.724 8.808 19079 3886 1 6 . 1 1 30 30 ALA HA H 30 4.995 4.995 4.958 0.037 19079 3887 1 6 . 1 1 30 30 ALA C C 30 177.994 177.994 177.758 0.236 19079 3888 1 6 . 1 1 30 30 ALA CA C 30 49.621 49.621 50.670 -1.049 19079 3889 1 6 . 1 1 30 30 ALA CB C 30 18.022 18.022 20.077 -2.055 19079 3890 1 6 . 1 1 30 30 ALA H H 30 9.179 9.179 8.552 0.627 19079 3891 1 6 . 1 1 31 31 LEU N N 31 126.651 126.651 124.249 2.402 19079 3892 1 6 . 1 1 31 31 LEU HA H 31 4.619 4.619 3.894 0.725 19079 3893 1 6 . 1 1 31 31 LEU CA C 31 59.032 59.032 57.283 1.749 19079 3894 1 6 . 1 1 31 31 LEU CB C 31 41.356 41.356 41.016 0.340 19079 3895 1 6 . 1 1 31 31 LEU H H 31 8.828 8.828 9.031 -0.203 19079 3896 1 6 . 1 1 32 32 THR HA H 32 4.283 4.283 4.081 0.202 19079 3897 1 6 . 1 1 32 32 THR C C 32 173.341 173.341 175.036 -1.695 19079 3898 1 6 . 1 1 32 32 THR CA C 32 63.443 63.443 64.478 -1.035 19079 3899 1 6 . 1 1 32 32 THR CB C 32 68.639 68.639 68.932 -0.293 19079 3900 1 6 . 1 1 32 32 THR H H 32 8.105 8.105 7.953 0.152 19079 3901 1 6 . 1 1 33 33 ALA N N 33 122.960 122.960 121.733 1.227 19079 3902 1 6 . 1 1 33 33 ALA HA H 33 5.301 5.301 4.783 0.518 19079 3903 1 6 . 1 1 33 33 ALA C C 33 175.467 175.467 176.276 -0.809 19079 3904 1 6 . 1 1 33 33 ALA CA C 33 50.782 50.782 51.082 -0.300 19079 3905 1 6 . 1 1 33 33 ALA CB C 33 20.256 20.256 21.137 -0.881 19079 3906 1 6 . 1 1 33 33 ALA H H 33 7.328 7.328 7.957 -0.629 19079 3907 1 6 . 1 1 34 34 ASP N N 34 115.713 115.713 116.490 -0.777 19079 3908 1 6 . 1 1 34 34 ASP HA H 34 4.194 4.194 4.219 -0.025 19079 3909 1 6 . 1 1 34 34 ASP C C 34 175.750 175.750 174.751 0.999 19079 3910 1 6 . 1 1 34 34 ASP CA C 34 55.269 55.269 55.653 -0.384 19079 3911 1 6 . 1 1 34 34 ASP CB C 34 40.525 40.525 39.687 0.838 19079 3912 1 6 . 1 1 34 34 ASP H H 34 7.927 7.927 8.128 -0.201 19079 3913 1 6 . 1 1 35 35 LEU N N 35 119.485 119.485 119.340 0.145 19079 3914 1 6 . 1 1 35 35 LEU HA H 35 5.102 5.102 4.958 0.144 19079 3915 1 6 . 1 1 35 35 LEU C C 35 173.060 173.060 174.120 -1.060 19079 3916 1 6 . 1 1 35 35 LEU CA C 35 54.268 54.268 53.458 0.810 19079 3917 1 6 . 1 1 35 35 LEU CB C 35 47.326 47.326 45.606 1.720 19079 3918 1 6 . 1 1 35 35 LEU H H 35 7.820 7.820 7.258 0.562 19079 3919 1 6 . 1 1 36 36 GLN N N 36 127.748 127.748 123.365 4.383 19079 3920 1 6 . 1 1 36 36 GLN HA H 36 4.790 4.790 5.234 -0.444 19079 3921 1 6 . 1 1 36 36 GLN C C 36 173.161 173.161 174.196 -1.035 19079 3922 1 6 . 1 1 36 36 GLN CA C 36 55.286 55.286 53.005 2.281 19079 3923 1 6 . 1 1 36 36 GLN CB C 36 32.594 32.594 32.897 -0.302 19079 3924 1 6 . 1 1 36 36 GLN H H 36 9.050 9.050 9.262 -0.212 19079 3925 1 6 . 1 1 37 37 ILE N N 37 125.606 125.606 121.766 3.840 19079 3926 1 6 . 1 1 37 37 ILE HA H 37 4.807 4.807 4.848 -0.041 19079 3927 1 6 . 1 1 37 37 ILE C C 37 174.921 174.921 174.691 0.230 19079 3928 1 6 . 1 1 37 37 ILE CA C 37 59.869 59.869 59.685 0.184 19079 3929 1 6 . 1 1 37 37 ILE CB C 37 39.750 39.750 40.179 -0.429 19079 3930 1 6 . 1 1 37 37 ILE H H 37 8.828 8.828 8.556 0.272 19079 3931 1 6 . 1 1 38 38 ASP N N 38 128.163 128.163 124.580 3.583 19079 3932 1 6 . 1 1 38 38 ASP HA H 38 5.259 5.259 4.973 0.286 19079 3933 1 6 . 1 1 38 38 ASP C C 38 176.122 176.122 175.489 0.633 19079 3934 1 6 . 1 1 38 38 ASP CA C 38 52.316 52.316 52.823 -0.507 19079 3935 1 6 . 1 1 38 38 ASP CB C 38 43.251 43.251 44.194 -0.943 19079 3936 1 6 . 1 1 38 38 ASP H H 38 9.226 9.226 8.099 1.127 19079 3937 1 6 . 1 1 39 39 GLY N N 39 107.273 107.273 106.633 0.640 19079 3938 1 6 . 1 1 39 39 GLY C C 39 171.808 171.808 173.281 -1.473 19079 3939 1 6 . 1 1 39 39 GLY CA C 39 45.108 45.108 44.069 1.039 19079 3940 1 6 . 1 1 39 39 GLY H H 39 8.682 8.682 8.258 0.424 19079 3941 1 6 . 1 1 40 40 CYS N N 40 114.602 114.602 119.026 -4.424 19079 3942 1 6 . 1 1 40 40 CYS HA H 40 4.832 4.832 4.792 0.040 19079 3943 1 6 . 1 1 40 40 CYS CA C 40 55.517 55.517 57.275 -1.758 19079 3944 1 6 . 1 1 40 40 CYS CB C 40 30.872 30.872 30.710 0.162 19079 3945 1 6 . 1 1 40 40 CYS H H 40 7.784 7.784 8.093 -0.309 19079 3946 1 6 . 1 1 41 41 ASP N N 41 121.388 121.388 120.574 0.814 19079 3947 1 6 . 1 1 41 41 ASP HA H 41 4.618 4.618 4.558 0.060 19079 3948 1 6 . 1 1 41 41 ASP CA C 41 54.808 54.808 56.080 -1.272 19079 3949 1 6 . 1 1 41 41 ASP CB C 41 41.299 41.299 40.984 0.315 19079 3950 1 6 . 1 1 41 41 ASP H H 41 8.496 8.496 8.706 -0.210 19079 3951 1 6 . 1 1 42 42 GLN N N 42 118.506 118.506 119.841 -1.335 19079 3952 1 6 . 1 1 42 42 GLN HA H 42 4.900 4.900 4.700 0.200 19079 3953 1 6 . 1 1 42 42 GLN CA C 42 52.529 52.529 53.889 -1.360 19079 3954 1 6 . 1 1 42 42 GLN CB C 42 30.580 30.580 28.847 1.733 19079 3955 1 6 . 1 1 42 42 GLN H H 42 7.592 7.592 8.137 -0.545 19079 3956 1 6 . 1 1 43 43 PRO HA H 43 4.438 4.438 4.667 -0.229 19079 3957 1 6 . 1 1 43 43 PRO CA C 43 63.283 63.283 62.590 0.693 19079 3958 1 6 . 1 1 43 43 PRO CB C 43 32.178 32.178 32.418 -0.240 19079 3959 1 6 . 1 1 44 44 GLY N N 44 109.062 109.062 106.323 2.739 19079 3960 1 6 . 1 1 44 44 GLY CA C 44 45.265 45.265 42.974 2.291 19079 3961 1 6 . 1 1 44 44 GLY H H 44 8.249 8.249 8.200 0.049 19079 3962 1 6 . 1 1 45 45 PRO HA H 45 4.535 4.535 4.417 0.118 19079 3963 1 6 . 1 1 45 45 PRO CA C 45 63.511 63.511 63.837 -0.326 19079 3964 1 6 . 1 1 45 45 PRO CB C 45 33.193 33.193 31.938 1.255 19079 3965 1 6 . 1 1 46 46 ASP N N 46 121.254 121.254 121.614 -0.360 19079 3966 1 6 . 1 1 46 46 ASP HA H 46 4.784 4.784 4.459 0.325 19079 3967 1 6 . 1 1 46 46 ASP C C 46 174.555 174.555 174.772 -0.217 19079 3968 1 6 . 1 1 46 46 ASP CA C 46 55.268 55.268 55.344 -0.076 19079 3969 1 6 . 1 1 46 46 ASP CB C 46 43.360 43.360 41.092 2.268 19079 3970 1 6 . 1 1 46 46 ASP H H 46 8.533 8.533 8.584 -0.051 19079 3971 1 6 . 1 1 47 47 ASN N N 47 118.452 118.452 120.795 -2.343 19079 3972 1 6 . 1 1 47 47 ASN HA H 47 4.912 4.912 4.888 0.024 19079 3973 1 6 . 1 1 47 47 ASN C C 47 172.394 172.394 174.566 -2.172 19079 3974 1 6 . 1 1 47 47 ASN CA C 47 52.877 52.877 52.225 0.652 19079 3975 1 6 . 1 1 47 47 ASN CB C 47 42.185 42.185 40.370 1.815 19079 3976 1 6 . 1 1 47 47 ASN H H 47 8.668 8.668 8.297 0.371 19079 3977 1 6 . 1 1 48 48 ILE N N 48 126.910 126.910 126.101 0.809 19079 3978 1 6 . 1 1 48 48 ILE HA H 48 5.269 5.269 4.005 1.264 19079 3979 1 6 . 1 1 48 48 ILE CA C 48 57.457 57.457 61.124 -3.667 19079 3980 1 6 . 1 1 48 48 ILE CB C 48 39.411 39.411 37.362 2.049 19079 3981 1 6 . 1 1 48 48 ILE H H 48 8.377 8.377 8.056 0.321 19079 3982 1 6 . 1 1 49 49 PRO HA H 49 4.571 4.571 4.454 0.117 19079 3983 1 6 . 1 1 49 49 PRO CA C 49 62.019 62.019 62.532 -0.513 19079 3984 1 6 . 1 1 49 49 PRO CB C 49 34.068 34.068 32.579 1.489 19079 3985 1 6 . 1 1 50 50 ASP N N 50 117.512 117.512 116.879 0.633 19079 3986 1 6 . 1 1 50 50 ASP HA H 50 4.847 4.847 4.880 -0.033 19079 3987 1 6 . 1 1 50 50 ASP C C 50 175.105 175.105 175.431 -0.326 19079 3988 1 6 . 1 1 50 50 ASP CA C 50 52.186 52.186 53.556 -1.369 19079 3989 1 6 . 1 1 50 50 ASP CB C 50 40.206 40.206 41.454 -1.248 19079 3990 1 6 . 1 1 50 50 ASP H H 50 7.928 7.928 8.673 -0.745 19079 3991 1 6 . 1 1 51 51 CYS N N 51 117.841 117.841 119.202 -1.361 19079 3992 1 6 . 1 1 51 51 CYS HA H 51 4.645 4.645 4.747 -0.102 19079 3993 1 6 . 1 1 51 51 CYS C C 51 173.952 173.952 173.261 0.691 19079 3994 1 6 . 1 1 51 51 CYS CA C 51 57.079 57.079 58.334 -1.255 19079 3995 1 6 . 1 1 51 51 CYS CB C 51 31.834 31.834 30.431 1.403 19079 3996 1 6 . 1 1 51 51 CYS H H 51 6.998 6.998 7.986 -0.988 19079 3997 1 6 . 1 1 52 52 ASP N N 52 113.831 113.831 124.455 -10.624 19079 3998 1 6 . 1 1 52 52 ASP HA H 52 4.790 4.790 4.724 0.066 19079 3999 1 6 . 1 1 52 52 ASP C C 52 177.522 177.522 175.368 2.154 19079 4000 1 6 . 1 1 52 52 ASP CA C 52 52.266 52.266 53.028 -0.762 19079 4001 1 6 . 1 1 52 52 ASP CB C 52 41.108 41.108 39.156 1.952 19079 4002 1 6 . 1 1 52 52 ASP H H 52 7.839 7.839 8.534 -0.695 19079 4003 1 6 . 1 1 53 53 CYS N N 53 120.924 120.924 121.011 -0.087 19079 4004 1 6 . 1 1 53 53 CYS HA H 53 4.176 4.176 4.251 -0.075 19079 4005 1 6 . 1 1 53 53 CYS C C 53 177.320 177.320 175.791 1.529 19079 4006 1 6 . 1 1 53 53 CYS CA C 53 62.456 62.456 59.598 2.858 19079 4007 1 6 . 1 1 53 53 CYS CB C 53 31.077 31.077 27.925 3.152 19079 4008 1 6 . 1 1 53 53 CYS H H 53 8.180 8.180 8.379 -0.199 19079 4009 1 6 . 1 1 54 54 THR N N 54 108.381 108.381 112.879 -4.498 19079 4010 1 6 . 1 1 54 54 THR HA H 54 4.168 4.168 4.345 -0.177 19079 4011 1 6 . 1 1 54 54 THR C C 54 172.044 172.044 174.575 -2.531 19079 4012 1 6 . 1 1 54 54 THR CA C 54 60.645 60.645 63.319 -2.674 19079 4013 1 6 . 1 1 54 54 THR CB C 54 69.425 69.425 69.069 0.356 19079 4014 1 6 . 1 1 54 54 THR H H 54 8.728 8.728 8.117 0.611 19079 4015 1 6 . 1 1 55 55 SER N N 55 114.465 114.465 120.529 -6.064 19079 4016 1 6 . 1 1 55 55 SER HA H 55 4.906 4.906 4.746 0.160 19079 4017 1 6 . 1 1 55 55 SER C C 55 172.897 172.897 174.624 -1.727 19079 4018 1 6 . 1 1 55 55 SER CA C 55 56.279 56.279 58.074 -1.795 19079 4019 1 6 . 1 1 55 55 SER CB C 55 66.156 66.156 62.398 3.757 19079 4020 1 6 . 1 1 55 55 SER H H 55 7.433 7.433 8.010 -0.577 19079 4021 1 6 . 1 1 56 56 GLY N N 56 106.492 106.492 110.865 -4.373 19079 4022 1 6 . 1 1 56 56 GLY C C 56 172.400 172.400 172.418 -0.018 19079 4023 1 6 . 1 1 56 56 GLY CA C 56 46.778 46.778 44.105 2.673 19079 4024 1 6 . 1 1 56 56 GLY H H 56 8.431 8.431 8.588 -0.157 19079 4025 1 6 . 1 1 57 57 CYS N N 57 123.907 123.907 117.075 6.832 19079 4026 1 6 . 1 1 57 57 CYS HA H 57 5.755 5.755 5.670 0.085 19079 4027 1 6 . 1 1 57 57 CYS C C 57 171.012 171.012 173.004 -1.992 19079 4028 1 6 . 1 1 57 57 CYS CA C 57 54.317 54.317 57.090 -2.773 19079 4029 1 6 . 1 1 57 57 CYS CB C 57 32.040 32.040 30.633 1.407 19079 4030 1 6 . 1 1 57 57 CYS H H 57 9.782 9.782 8.631 1.151 19079 4031 1 6 . 1 1 58 58 TYR N N 58 121.251 121.251 122.031 -0.780 19079 4032 1 6 . 1 1 58 58 TYR HA H 58 6.413 6.413 5.659 0.754 19079 4033 1 6 . 1 1 58 58 TYR C C 58 172.177 172.177 173.595 -1.418 19079 4034 1 6 . 1 1 58 58 TYR CA C 58 54.179 54.179 54.201 -0.022 19079 4035 1 6 . 1 1 58 58 TYR CB C 58 44.751 44.751 41.885 2.866 19079 4036 1 6 . 1 1 58 58 TYR H H 58 9.324 9.324 8.922 0.402 19079 4037 1 6 . 1 1 59 59 TYR N N 59 119.921 119.921 126.011 -6.090 19079 4038 1 6 . 1 1 59 59 TYR HA H 59 3.155 3.155 3.605 -0.450 19079 4039 1 6 . 1 1 59 59 TYR C C 59 173.490 173.490 174.139 -0.649 19079 4040 1 6 . 1 1 59 59 TYR CA C 59 56.439 56.439 56.569 -0.130 19079 4041 1 6 . 1 1 59 59 TYR CB C 59 38.280 38.280 37.232 1.048 19079 4042 1 6 . 1 1 59 59 TYR H H 59 7.851 7.851 7.635 0.216 19079 4043 1 6 . 1 1 60 60 SER N N 60 122.333 122.333 122.181 0.152 19079 4044 1 6 . 1 1 60 60 SER HA H 60 4.286 4.286 4.106 0.180 19079 4045 1 6 . 1 1 60 60 SER C C 60 174.282 174.282 175.015 -0.733 19079 4046 1 6 . 1 1 60 60 SER CA C 60 54.201 54.201 56.824 -2.623 19079 4047 1 6 . 1 1 60 60 SER CB C 60 63.429 63.429 63.841 -0.412 19079 4048 1 6 . 1 1 60 60 SER H H 60 7.184 7.184 7.969 -0.785 19079 4049 1 6 . 1 1 61 61 ARG N N 61 131.876 131.876 128.325 3.551 19079 4050 1 6 . 1 1 61 61 ARG HA H 61 3.755 3.755 3.830 -0.075 19079 4051 1 6 . 1 1 61 61 ARG C C 61 179.454 179.454 177.513 1.941 19079 4052 1 6 . 1 1 61 61 ARG CA C 61 58.733 58.733 57.619 1.114 19079 4053 1 6 . 1 1 61 61 ARG CB C 61 29.216 29.216 29.496 -0.280 19079 4054 1 6 . 1 1 61 61 ARG H H 61 9.058 9.058 8.705 0.353 19079 4055 1 6 . 1 1 62 62 SER N N 62 115.806 115.806 113.559 2.247 19079 4056 1 6 . 1 1 62 62 SER HA H 62 4.021 4.021 4.236 -0.215 19079 4057 1 6 . 1 1 62 62 SER C C 62 177.405 177.405 174.886 2.519 19079 4058 1 6 . 1 1 62 62 SER CA C 62 60.787 60.787 60.763 0.024 19079 4059 1 6 . 1 1 62 62 SER CB C 62 60.994 60.994 63.274 -2.280 19079 4060 1 6 . 1 1 62 62 SER H H 62 8.933 8.933 8.366 0.567 19079 4061 1 6 . 1 1 63 63 LEU N N 63 120.142 120.142 119.237 0.905 19079 4062 1 6 . 1 1 63 63 LEU HA H 63 4.315 4.315 4.541 -0.226 19079 4063 1 6 . 1 1 63 63 LEU C C 63 175.462 175.462 176.398 -0.936 19079 4064 1 6 . 1 1 63 63 LEU CA C 63 54.589 54.589 53.788 0.801 19079 4065 1 6 . 1 1 63 63 LEU CB C 63 41.583 41.583 42.329 -0.746 19079 4066 1 6 . 1 1 63 63 LEU H H 63 7.372 7.372 7.037 0.335 19079 4067 1 6 . 1 1 64 64 ASP N N 64 124.723 124.723 119.702 5.021 19079 4068 1 6 . 1 1 64 64 ASP HA H 64 4.308 4.308 4.141 0.167 19079 4069 1 6 . 1 1 64 64 ASP C C 64 174.405 174.405 174.107 0.298 19079 4070 1 6 . 1 1 64 64 ASP CA C 64 54.269 54.269 55.551 -1.282 19079 4071 1 6 . 1 1 64 64 ASP CB C 64 39.892 39.892 39.960 -0.068 19079 4072 1 6 . 1 1 64 64 ASP H H 64 8.122 8.122 7.828 0.294 19079 4073 1 6 . 1 1 65 65 ARG N N 65 111.932 111.932 113.122 -1.190 19079 4074 1 6 . 1 1 65 65 ARG HA H 65 4.648 4.648 4.711 -0.063 19079 4075 1 6 . 1 1 65 65 ARG C C 65 172.842 172.842 173.939 -1.097 19079 4076 1 6 . 1 1 65 65 ARG CA C 65 54.327 54.327 55.134 -0.807 19079 4077 1 6 . 1 1 65 65 ARG CB C 65 33.013 33.013 31.510 1.503 19079 4078 1 6 . 1 1 65 65 ARG H H 65 7.434 7.434 7.662 -0.228 19079 4079 1 6 . 1 1 66 66 TYR N N 66 121.286 121.286 122.454 -1.168 19079 4080 1 6 . 1 1 66 66 TYR HA H 66 4.821 4.821 4.747 0.074 19079 4081 1 6 . 1 1 66 66 TYR C C 66 176.123 176.123 176.427 -0.304 19079 4082 1 6 . 1 1 66 66 TYR CA C 66 56.752 56.752 59.489 -2.737 19079 4083 1 6 . 1 1 66 66 TYR CB C 66 41.877 41.877 39.098 2.779 19079 4084 1 6 . 1 1 66 66 TYR H H 66 8.068 8.068 8.717 -0.649 19079 4085 1 6 . 1 1 67 67 ILE N N 67 119.080 119.080 119.974 -0.894 19079 4086 1 6 . 1 1 67 67 ILE HA H 67 4.620 4.620 4.833 -0.213 19079 4087 1 6 . 1 1 67 67 ILE CA C 67 57.840 57.840 57.199 0.641 19079 4088 1 6 . 1 1 67 67 ILE CB C 67 41.191 41.191 41.516 -0.325 19079 4089 1 6 . 1 1 67 67 ILE H H 67 8.640 8.640 8.585 0.055 19079 4090 1 6 . 1 1 68 68 PRO HA H 68 4.772 4.772 4.937 -0.165 19079 4091 1 6 . 1 1 68 68 PRO CA C 68 62.709 62.709 62.690 0.019 19079 4092 1 6 . 1 1 68 68 PRO CB C 68 32.923 32.923 31.552 1.371 19079 4093 1 6 . 1 1 69 69 VAL N N 69 120.668 120.668 118.369 2.299 19079 4094 1 6 . 1 1 69 69 VAL HA H 69 4.764 4.764 4.672 0.092 19079 4095 1 6 . 1 1 69 69 VAL C C 69 171.299 171.299 173.812 -2.513 19079 4096 1 6 . 1 1 69 69 VAL CA C 69 60.758 60.758 59.257 1.501 19079 4097 1 6 . 1 1 69 69 VAL CB C 69 36.158 36.158 35.867 0.291 19079 4098 1 6 . 1 1 69 69 VAL H H 69 8.866 8.866 8.695 0.171 19079 4099 1 6 . 1 1 70 70 GLU N N 70 127.352 127.352 120.808 6.544 19079 4100 1 6 . 1 1 70 70 GLU HA H 70 4.694 4.694 4.780 -0.086 19079 4101 1 6 . 1 1 70 70 GLU C C 70 176.084 176.084 175.305 0.779 19079 4102 1 6 . 1 1 70 70 GLU CA C 70 55.438 55.438 54.640 0.798 19079 4103 1 6 . 1 1 70 70 GLU CB C 70 31.941 31.941 31.984 -0.043 19079 4104 1 6 . 1 1 70 70 GLU H H 70 8.303 8.303 8.550 -0.247 19079 4105 1 6 . 1 1 71 71 CYS N N 71 118.985 118.985 123.151 -4.166 19079 4106 1 6 . 1 1 71 71 CYS HA H 71 5.283 5.283 4.949 0.334 19079 4107 1 6 . 1 1 71 71 CYS C C 71 173.987 173.987 174.030 -0.043 19079 4108 1 6 . 1 1 71 71 CYS CA C 71 56.927 56.927 56.778 0.149 19079 4109 1 6 . 1 1 71 71 CYS CB C 71 32.056 32.056 31.816 0.240 19079 4110 1 6 . 1 1 71 71 CYS H H 71 8.044 8.044 8.225 -0.181 19079 4111 1 6 . 1 1 72 72 GLU N N 72 119.188 119.188 119.908 -0.720 19079 4112 1 6 . 1 1 72 72 GLU HA H 72 4.550 4.550 4.512 0.038 19079 4113 1 6 . 1 1 72 72 GLU C C 72 175.540 175.540 175.142 0.398 19079 4114 1 6 . 1 1 72 72 GLU CA C 72 54.422 54.422 54.304 0.118 19079 4115 1 6 . 1 1 72 72 GLU CB C 72 32.723 32.723 30.315 2.408 19079 4116 1 6 . 1 1 72 72 GLU H H 72 8.651 8.651 8.600 0.051 19079 4117 1 6 . 1 1 73 73 ALA N N 73 128.127 128.127 128.899 -0.772 19079 4118 1 6 . 1 1 73 73 ALA HA H 73 4.894 4.894 4.172 0.722 19079 4119 1 6 . 1 1 73 73 ALA C C 73 177.065 177.065 176.878 0.187 19079 4120 1 6 . 1 1 73 73 ALA CA C 73 51.934 51.934 52.538 -0.604 19079 4121 1 6 . 1 1 73 73 ALA CB C 73 19.744 19.744 18.752 0.992 19079 4122 1 6 . 1 1 73 73 ALA H H 73 8.825 8.825 8.804 0.021 19079 4123 1 6 . 1 1 74 74 HIS N N 74 120.049 120.049 125.627 -5.578 19079 4124 1 6 . 1 1 74 74 HIS HA H 74 4.730 4.730 4.588 0.142 19079 4125 1 6 . 1 1 74 74 HIS C C 74 173.973 173.973 175.113 -1.140 19079 4126 1 6 . 1 1 74 74 HIS CA C 74 54.940 54.940 55.193 -0.253 19079 4127 1 6 . 1 1 74 74 HIS CB C 74 32.641 32.641 32.014 0.627 19079 4128 1 6 . 1 1 74 74 HIS H H 74 8.813 8.813 9.022 -0.209 19079 4129 1 6 . 1 1 75 75 ASP N N 75 125.469 125.469 127.016 -1.547 19079 4130 1 6 . 1 1 75 75 ASP HA H 75 4.619 4.619 4.491 0.128 19079 4131 1 6 . 1 1 75 75 ASP CA C 75 57.576 57.576 57.361 0.215 19079 4132 1 6 . 1 1 75 75 ASP CB C 75 42.215 42.215 41.518 0.697 19079 4133 1 6 . 1 1 75 75 ASP H H 75 8.951 8.951 9.065 -0.114 19079 4134 1 6 . 1 1 76 76 TRP N N 76 113.768 113.768 114.493 -0.725 19079 4135 1 6 . 1 1 76 76 TRP HA H 76 5.455 5.455 5.220 0.235 19079 4136 1 6 . 1 1 76 76 TRP CA C 76 54.833 54.833 56.336 -1.503 19079 4137 1 6 . 1 1 76 76 TRP CB C 76 31.701 31.701 31.714 -0.013 19079 4138 1 6 . 1 1 76 76 TRP H H 76 7.574 7.574 7.137 0.437 19079 4139 1 6 . 1 1 77 77 TYR N N 77 122.650 122.650 118.495 4.155 19079 4140 1 6 . 1 1 77 77 TYR CA C 77 57.248 57.248 57.221 0.027 19079 4141 1 6 . 1 1 77 77 TYR CB C 77 33.700 33.700 41.950 -8.250 19079 4142 1 6 . 1 1 77 77 TYR H H 77 8.981 8.981 8.529 0.452 19079 4143 1 6 . 1 1 78 78 PRO HA H 78 4.493 4.493 4.822 -0.329 19079 4144 1 6 . 1 1 78 78 PRO CA C 78 62.242 62.242 62.754 -0.512 19079 4145 1 6 . 1 1 78 78 PRO CB C 78 31.237 31.237 32.500 -1.263 19079 4146 1 6 . 1 1 79 79 VAL N N 79 123.871 123.871 123.598 0.273 19079 4147 1 6 . 1 1 79 79 VAL HA H 79 3.953 3.953 4.518 -0.565 19079 4148 1 6 . 1 1 79 79 VAL C C 79 174.991 174.991 174.344 0.647 19079 4149 1 6 . 1 1 79 79 VAL CA C 79 61.545 61.545 59.405 2.140 19079 4150 1 6 . 1 1 79 79 VAL CB C 79 33.090 33.090 35.393 -2.303 19079 4151 1 6 . 1 1 79 79 VAL H H 79 8.512 8.512 9.147 -0.635 19079 4152 1 6 . 1 1 80 80 GLU N N 80 124.050 124.050 128.231 -4.181 19079 4153 1 6 . 1 1 80 80 GLU HA H 80 4.072 4.072 4.245 -0.173 19079 4154 1 6 . 1 1 80 80 GLU C C 80 175.607 175.607 175.477 0.130 19079 4155 1 6 . 1 1 80 80 GLU CA C 80 56.291 56.291 55.950 0.341 19079 4156 1 6 . 1 1 80 80 GLU CB C 80 30.272 30.272 30.072 0.200 19079 4157 1 6 . 1 1 80 80 GLU H H 80 8.068 8.068 8.522 -0.454 19079 4158 1 6 . 1 1 81 81 GLU N N 81 120.701 120.701 121.109 -0.408 19079 4159 1 6 . 1 1 81 81 GLU HA H 81 4.194 4.194 4.255 -0.061 19079 4160 1 6 . 1 1 81 81 GLU C C 81 175.817 175.817 176.032 -0.215 19079 4161 1 6 . 1 1 81 81 GLU CA C 81 57.390 57.390 57.380 0.010 19079 4162 1 6 . 1 1 81 81 GLU CB C 81 30.713 30.713 29.199 1.514 19079 4163 1 6 . 1 1 81 81 GLU H H 81 8.751 8.751 8.727 0.024 19079 4164 1 6 . 1 1 82 82 THR N N 82 115.162 115.162 118.707 -3.545 19079 4165 1 6 . 1 1 82 82 THR HA H 82 4.688 4.688 4.232 0.456 19079 4166 1 6 . 1 1 82 82 THR CA C 82 60.041 60.041 61.685 -1.644 19079 4167 1 6 . 1 1 82 82 THR CB C 82 73.866 73.866 69.291 4.575 19079 4168 1 6 . 1 1 82 82 THR H H 82 8.631 8.631 8.553 0.078 19079 4169 1 6 . 1 1 83 83 GLN N N 83 116.650 116.650 118.021 -1.371 19079 4170 1 6 . 1 1 83 83 GLN HA H 83 4.629 4.629 3.825 0.804 19079 4171 1 6 . 1 1 83 83 GLN CA C 83 57.643 57.643 58.520 -0.877 19079 4172 1 6 . 1 1 83 83 GLN CB C 83 30.537 30.537 27.537 3.000 19079 4173 1 6 . 1 1 83 83 GLN H H 83 8.714 8.714 8.599 0.115 19079 4174 1 6 . 1 1 86 86 PRO HA H 86 4.779 4.779 4.427 0.352 19079 4175 1 6 . 1 1 86 86 PRO CA C 86 62.018 62.018 62.533 -0.515 19079 4176 1 6 . 1 1 86 86 PRO CB C 86 32.818 32.818 32.473 0.345 19079 4177 1 6 . 1 1 87 87 LYS N N 87 123.136 123.136 120.390 2.746 19079 4178 1 6 . 1 1 87 87 LYS HA H 87 4.545 4.545 4.575 -0.030 19079 4179 1 6 . 1 1 87 87 LYS C C 87 176.411 176.411 176.698 -0.287 19079 4180 1 6 . 1 1 87 87 LYS CA C 87 57.800 57.800 57.341 0.459 19079 4181 1 6 . 1 1 87 87 LYS CB C 87 32.322 32.322 31.964 0.358 19079 4182 1 6 . 1 1 87 87 LYS H H 87 8.936 8.936 8.315 0.621 19079 4183 1 6 . 1 1 88 88 HIS N N 88 119.788 119.788 122.335 -2.547 19079 4184 1 6 . 1 1 88 88 HIS HA H 88 4.973 4.973 4.581 0.392 19079 4185 1 6 . 1 1 88 88 HIS C C 88 171.431 171.431 172.989 -1.558 19079 4186 1 6 . 1 1 88 88 HIS CA C 88 55.171 55.171 55.630 -0.459 19079 4187 1 6 . 1 1 88 88 HIS CB C 88 29.695 29.695 33.501 -3.806 19079 4188 1 6 . 1 1 88 88 HIS H H 88 8.490 8.490 8.768 -0.278 19079 4189 1 6 . 1 1 89 89 ILE N N 89 120.371 120.371 119.770 0.601 19079 4190 1 6 . 1 1 89 89 ILE HA H 89 4.453 4.453 4.648 -0.195 19079 4191 1 6 . 1 1 89 89 ILE C C 89 176.167 176.167 175.073 1.094 19079 4192 1 6 . 1 1 89 89 ILE CA C 89 60.066 60.066 58.914 1.152 19079 4193 1 6 . 1 1 89 89 ILE CB C 89 38.855 38.855 39.665 -0.810 19079 4194 1 6 . 1 1 89 89 ILE H H 89 8.417 8.417 8.166 0.251 19079 4195 1 6 . 1 1 90 90 GLN N N 90 122.913 122.913 120.377 2.536 19079 4196 1 6 . 1 1 90 90 GLN HA H 90 5.313 5.313 4.333 0.980 19079 4197 1 6 . 1 1 90 90 GLN CA C 90 54.194 54.194 53.245 0.949 19079 4198 1 6 . 1 1 90 90 GLN CB C 90 32.780 32.780 33.236 -0.456 19079 4199 1 6 . 1 1 90 90 GLN H H 90 8.286 8.286 8.620 -0.334 19079 4200 1 6 . 1 1 91 91 TYR N N 91 117.779 117.779 116.778 1.001 19079 4201 1 6 . 1 1 91 91 TYR HA H 91 5.394 5.394 5.228 0.166 19079 4202 1 6 . 1 1 91 91 TYR C C 91 175.762 175.762 175.801 -0.039 19079 4203 1 6 . 1 1 91 91 TYR CA C 91 56.672 56.672 55.590 1.082 19079 4204 1 6 . 1 1 91 91 TYR CB C 91 41.701 41.701 41.745 -0.043 19079 4205 1 6 . 1 1 91 91 TYR H H 91 8.086 8.086 8.333 -0.247 19079 4206 1 6 . 1 1 92 92 ASN N N 92 113.182 113.182 116.133 -2.951 19079 4207 1 6 . 1 1 92 92 ASN HA H 92 4.558 4.558 4.462 0.096 19079 4208 1 6 . 1 1 92 92 ASN C C 92 172.369 172.369 174.156 -1.787 19079 4209 1 6 . 1 1 92 92 ASN CA C 92 55.522 55.522 54.398 1.124 19079 4210 1 6 . 1 1 92 92 ASN CB C 92 37.732 37.732 36.461 1.271 19079 4211 1 6 . 1 1 92 92 ASN H H 92 8.529 8.529 8.596 -0.067 19079 4212 1 6 . 1 1 93 93 LEU N N 93 117.359 117.359 119.369 -2.010 19079 4213 1 6 . 1 1 93 93 LEU HA H 93 5.455 5.455 5.220 0.235 19079 4214 1 6 . 1 1 93 93 LEU C C 93 177.709 177.709 175.449 2.260 19079 4215 1 6 . 1 1 93 93 LEU CA C 93 54.341 54.341 53.590 0.751 19079 4216 1 6 . 1 1 93 93 LEU CB C 93 47.006 47.006 45.881 1.125 19079 4217 1 6 . 1 1 93 93 LEU H H 93 7.846 7.846 8.792 -0.946 19079 4218 1 6 . 1 1 94 94 LEU N N 94 123.298 123.298 123.607 -0.309 19079 4219 1 6 . 1 1 94 94 LEU HA H 94 5.014 5.014 4.952 0.062 19079 4220 1 6 . 1 1 94 94 LEU C C 94 175.771 175.771 176.462 -0.691 19079 4221 1 6 . 1 1 94 94 LEU CA C 94 53.889 53.889 53.524 0.365 19079 4222 1 6 . 1 1 94 94 LEU CB C 94 44.784 44.784 42.549 2.235 19079 4223 1 6 . 1 1 94 94 LEU H H 94 9.155 9.155 8.907 0.248 19079 4224 1 6 . 1 1 95 95 ILE N N 95 121.585 121.585 125.719 -4.134 19079 4225 1 6 . 1 1 95 95 ILE HA H 95 5.166 5.166 4.606 0.560 19079 4226 1 6 . 1 1 95 95 ILE C C 95 175.885 175.885 175.802 0.083 19079 4227 1 6 . 1 1 95 95 ILE CA C 95 59.795 59.795 59.669 0.126 19079 4228 1 6 . 1 1 95 95 ILE CB C 95 39.820 39.820 37.319 2.501 19079 4229 1 6 . 1 1 95 95 ILE H H 95 8.920 8.920 7.784 1.136 19079 4230 1 6 . 1 1 96 96 GLY N N 96 115.891 115.891 116.387 -0.496 19079 4231 1 6 . 1 1 96 96 GLY C C 96 171.937 171.937 172.697 -0.760 19079 4232 1 6 . 1 1 96 96 GLY CA C 96 44.865 44.865 43.855 1.010 19079 4233 1 6 . 1 1 96 96 GLY H H 96 9.223 9.223 9.015 0.208 19079 4234 1 6 . 1 1 97 97 GLU N N 97 119.340 119.340 127.131 -7.791 19079 4235 1 6 . 1 1 97 97 GLU HA H 97 4.831 4.831 4.005 0.826 19079 4236 1 6 . 1 1 97 97 GLU C C 97 175.567 175.567 175.953 -0.386 19079 4237 1 6 . 1 1 97 97 GLU CA C 97 55.736 55.736 56.721 -0.985 19079 4238 1 6 . 1 1 97 97 GLU CB C 97 31.009 31.009 30.162 0.847 19079 4239 1 6 . 1 1 97 97 GLU H H 97 8.197 8.197 8.268 -0.071 19079 4240 1 6 . 1 1 98 98 GLY N N 98 113.912 113.912 113.231 0.681 19079 4241 1 6 . 1 1 98 98 GLY CA C 98 45.089 45.089 44.305 0.784 19079 4242 1 6 . 1 1 98 98 GLY H H 98 7.767 7.767 7.922 -0.155 19079 4243 1 6 . 1 1 99 99 PRO HA H 99 4.347 4.347 4.605 -0.258 19079 4244 1 6 . 1 1 99 99 PRO CA C 99 62.396 62.396 62.904 -0.508 19079 4245 1 6 . 1 1 99 99 PRO CB C 99 32.558 32.558 32.377 0.181 19079 4246 1 6 . 1 1 100 100 CYS N N 100 122.972 122.972 121.162 1.810 19079 4247 1 6 . 1 1 100 100 CYS HA H 100 4.567 4.567 4.928 -0.361 19079 4248 1 6 . 1 1 100 100 CYS C C 100 172.077 172.077 174.063 -1.986 19079 4249 1 6 . 1 1 100 100 CYS CA C 100 60.097 60.097 56.363 3.734 19079 4250 1 6 . 1 1 100 100 CYS CB C 100 28.063 28.063 30.818 -2.755 19079 4251 1 6 . 1 1 100 100 CYS H H 100 8.219 8.219 8.061 0.158 19079 4252 1 6 . 1 1 101 101 VAL N N 101 123.973 123.973 116.934 7.039 19079 4253 1 6 . 1 1 101 101 VAL HA H 101 4.888 4.888 4.502 0.386 19079 4254 1 6 . 1 1 101 101 VAL CA C 101 58.947 58.947 59.328 -0.381 19079 4255 1 6 . 1 1 101 101 VAL CB C 101 32.322 32.322 34.099 -1.777 19079 4256 1 6 . 1 1 101 101 VAL H H 101 8.662 8.662 7.657 1.005 19079 4257 1 6 . 1 1 103 103 GLY C C 103 175.333 175.333 174.849 0.484 19079 4258 1 6 . 1 1 103 103 GLY CA C 103 45.683 45.683 45.852 -0.169 19079 4259 1 6 . 1 1 104 104 ASP N N 104 121.740 121.740 121.224 0.516 19079 4260 1 6 . 1 1 104 104 ASP HA H 104 4.836 4.836 4.454 0.382 19079 4261 1 6 . 1 1 104 104 ASP C C 104 176.601 176.601 176.462 0.139 19079 4262 1 6 . 1 1 104 104 ASP CA C 104 54.700 54.700 54.524 0.176 19079 4263 1 6 . 1 1 104 104 ASP CB C 104 41.322 41.322 40.737 0.585 19079 4264 1 6 . 1 1 104 104 ASP H H 104 8.217 8.217 7.947 0.270 19079 4265 1 6 . 1 1 105 105 ALA N N 105 121.750 121.750 122.094 -0.344 19079 4266 1 6 . 1 1 105 105 ALA HA H 105 3.707 3.707 3.929 -0.222 19079 4267 1 6 . 1 1 105 105 ALA C C 105 175.218 175.218 177.831 -2.613 19079 4268 1 6 . 1 1 105 105 ALA CA C 105 54.002 54.002 53.345 0.657 19079 4269 1 6 . 1 1 105 105 ALA CB C 105 18.021 18.021 18.490 -0.469 19079 4270 1 6 . 1 1 105 105 ALA H H 105 7.672 7.672 7.781 -0.109 19079 4271 1 6 . 1 1 106 106 GLY N N 106 110.675 110.675 111.182 -0.507 19079 4272 1 6 . 1 1 106 106 GLY C C 106 174.112 174.112 174.846 -0.734 19079 4273 1 6 . 1 1 106 106 GLY CA C 106 45.354 45.354 44.735 0.619 19079 4274 1 6 . 1 1 106 106 GLY H H 106 8.781 8.781 7.982 0.799 19079 4275 1 6 . 1 1 107 107 GLY N N 107 104.052 104.052 108.852 -4.800 19079 4276 1 6 . 1 1 107 107 GLY C C 107 173.970 173.970 173.943 0.027 19079 4277 1 6 . 1 1 107 107 GLY CA C 107 46.405 46.405 45.356 1.049 19079 4278 1 6 . 1 1 107 107 GLY H H 107 7.727 7.727 7.650 0.077 19079 4279 1 6 . 1 1 108 108 LYS N N 108 122.212 122.212 125.537 -3.325 19079 4280 1 6 . 1 1 108 108 LYS HA H 108 4.442 4.442 4.298 0.144 19079 4281 1 6 . 1 1 108 108 LYS C C 108 175.056 175.056 175.982 -0.926 19079 4282 1 6 . 1 1 108 108 LYS CA C 108 58.497 58.497 56.923 1.574 19079 4283 1 6 . 1 1 108 108 LYS CB C 108 36.053 36.053 33.346 2.707 19079 4284 1 6 . 1 1 108 108 LYS H H 108 8.553 8.553 8.370 0.183 19079 4285 1 6 . 1 1 109 109 LEU N N 109 119.300 119.300 128.933 -9.633 19079 4286 1 6 . 1 1 109 109 LEU HA H 109 4.881 4.881 5.138 -0.257 19079 4287 1 6 . 1 1 109 109 LEU C C 109 175.017 175.017 174.722 0.295 19079 4288 1 6 . 1 1 109 109 LEU CA C 109 53.372 53.372 53.747 -0.375 19079 4289 1 6 . 1 1 109 109 LEU CB C 109 43.275 43.275 42.953 0.322 19079 4290 1 6 . 1 1 109 109 LEU H H 109 8.065 8.065 8.977 -0.912 19079 4291 1 6 . 1 1 110 110 LEU N N 110 126.757 126.757 127.818 -1.061 19079 4292 1 6 . 1 1 110 110 LEU HA H 110 5.498 5.498 4.840 0.658 19079 4293 1 6 . 1 1 110 110 LEU C C 110 176.125 176.125 175.907 0.218 19079 4294 1 6 . 1 1 110 110 LEU CA C 110 55.318 55.318 54.415 0.903 19079 4295 1 6 . 1 1 110 110 LEU CB C 110 44.799 44.799 43.968 0.831 19079 4296 1 6 . 1 1 110 110 LEU H H 110 9.450 9.450 9.119 0.331 19079 4297 1 6 . 1 1 111 111 CYS N N 111 118.897 118.897 121.186 -2.289 19079 4298 1 6 . 1 1 111 111 CYS HA H 111 5.254 5.254 4.838 0.416 19079 4299 1 6 . 1 1 111 111 CYS C C 111 177.063 177.063 175.896 1.167 19079 4300 1 6 . 1 1 111 111 CYS CA C 111 57.201 57.201 56.378 0.823 19079 4301 1 6 . 1 1 111 111 CYS CB C 111 32.532 32.532 30.927 1.605 19079 4302 1 6 . 1 1 111 111 CYS H H 111 8.575 8.575 8.734 -0.159 19079 4303 1 6 . 1 1 112 112 ARG N N 112 116.382 116.382 120.124 -3.742 19079 4304 1 6 . 1 1 112 112 ARG HA H 112 3.918 3.918 3.901 0.017 19079 4305 1 6 . 1 1 112 112 ARG C C 112 176.892 176.892 177.545 -0.653 19079 4306 1 6 . 1 1 112 112 ARG CA C 112 59.714 59.714 58.637 1.077 19079 4307 1 6 . 1 1 112 112 ARG CB C 112 29.874 29.874 29.330 0.544 19079 4308 1 6 . 1 1 112 112 ARG H H 112 8.350 8.350 8.649 -0.299 19079 4309 1 6 . 1 1 113 113 HIS N N 113 121.579 121.579 114.142 7.437 19079 4310 1 6 . 1 1 113 113 HIS HA H 113 4.480 4.480 4.704 -0.224 19079 4311 1 6 . 1 1 113 113 HIS C C 113 175.439 175.439 175.678 -0.239 19079 4312 1 6 . 1 1 113 113 HIS CA C 113 58.739 58.739 56.370 2.369 19079 4313 1 6 . 1 1 113 113 HIS CB C 113 31.050 31.050 30.807 0.243 19079 4314 1 6 . 1 1 113 113 HIS H H 113 10.445 10.445 7.192 3.253 19079 4315 1 6 . 1 1 114 114 GLY N N 114 108.273 108.273 105.538 2.735 19079 4316 1 6 . 1 1 114 114 GLY C C 114 169.307 169.307 172.872 -3.565 19079 4317 1 6 . 1 1 114 114 GLY CA C 114 45.413 45.413 44.833 0.580 19079 4318 1 6 . 1 1 114 114 GLY H H 114 7.689 7.689 7.369 0.321 19079 4319 1 6 . 1 1 115 115 VAL N N 115 120.998 120.998 121.184 -0.186 19079 4320 1 6 . 1 1 115 115 VAL HA H 115 4.476 4.476 4.098 0.378 19079 4321 1 6 . 1 1 115 115 VAL C C 115 173.881 173.881 176.872 -2.991 19079 4322 1 6 . 1 1 115 115 VAL CA C 115 62.513 62.513 64.375 -1.862 19079 4323 1 6 . 1 1 115 115 VAL CB C 115 32.113 32.113 31.530 0.583 19079 4324 1 6 . 1 1 115 115 VAL H H 115 8.455 8.455 8.527 -0.072 19079 4325 1 6 . 1 1 116 116 ILE N N 116 114.566 114.566 119.280 -4.714 19079 4326 1 6 . 1 1 116 116 ILE HA H 116 4.603 4.603 4.566 0.037 19079 4327 1 6 . 1 1 116 116 ILE C C 116 175.445 175.445 174.584 0.861 19079 4328 1 6 . 1 1 116 116 ILE CA C 116 61.470 61.470 60.311 1.159 19079 4329 1 6 . 1 1 116 116 ILE CB C 116 40.782 40.782 39.041 1.741 19079 4330 1 6 . 1 1 116 116 ILE H H 116 8.460 8.460 9.016 -0.556 19079 4331 1 6 . 1 1 117 117 GLY N N 117 106.195 106.195 107.316 -1.121 19079 4332 1 6 . 1 1 117 117 GLY C C 117 171.664 171.664 171.766 -0.102 19079 4333 1 6 . 1 1 117 117 GLY CA C 117 46.303 46.303 45.868 0.435 19079 4334 1 6 . 1 1 117 117 GLY H H 117 7.827 7.827 7.514 0.313 19079 4335 1 6 . 1 1 118 118 ILE N N 118 109.501 109.501 115.365 -5.864 19079 4336 1 6 . 1 1 118 118 ILE HA H 118 5.611 5.611 5.740 -0.129 19079 4337 1 6 . 1 1 118 118 ILE C C 118 176.642 176.642 175.562 1.080 19079 4338 1 6 . 1 1 118 118 ILE CA C 118 58.787 58.787 58.048 0.739 19079 4339 1 6 . 1 1 118 118 ILE CB C 118 43.351 43.351 42.322 1.029 19079 4340 1 6 . 1 1 118 118 ILE H H 118 7.571 7.571 8.004 -0.433 19079 4341 1 6 . 1 1 119 119 ILE N N 119 124.258 124.258 120.543 3.715 19079 4342 1 6 . 1 1 119 119 ILE HA H 119 3.774 3.774 3.385 0.389 19079 4343 1 6 . 1 1 119 119 ILE C C 119 177.447 177.447 176.504 0.943 19079 4344 1 6 . 1 1 119 119 ILE CA C 119 64.399 64.399 62.450 1.949 19079 4345 1 6 . 1 1 119 119 ILE CB C 119 39.393 39.393 35.928 3.465 19079 4346 1 6 . 1 1 119 119 ILE H H 119 9.465 9.465 8.099 1.366 19079 4347 1 6 . 1 1 120 120 THR N N 120 122.153 122.153 123.134 -0.981 19079 4348 1 6 . 1 1 120 120 THR HA H 120 4.670 4.670 4.422 0.248 19079 4349 1 6 . 1 1 120 120 THR C C 120 171.416 171.416 173.022 -1.606 19079 4350 1 6 . 1 1 120 120 THR CA C 120 61.440 61.440 61.362 0.078 19079 4351 1 6 . 1 1 120 120 THR CB C 120 70.455 70.455 70.315 0.140 19079 4352 1 6 . 1 1 120 120 THR H H 120 9.400 9.400 8.932 0.468 19079 4353 1 6 . 1 1 121 121 ALA N N 121 124.014 124.014 121.308 2.706 19079 4354 1 6 . 1 1 121 121 ALA HA H 121 4.583 4.583 4.712 -0.129 19079 4355 1 6 . 1 1 121 121 ALA C C 121 173.695 173.695 175.205 -1.510 19079 4356 1 6 . 1 1 121 121 ALA CA C 121 51.833 51.833 50.617 1.216 19079 4357 1 6 . 1 1 121 121 ALA CB C 121 22.523 22.523 21.540 0.983 19079 4358 1 6 . 1 1 121 121 ALA H H 121 7.885 7.885 7.370 0.515 19079 4359 1 6 . 1 1 122 122 GLY N N 122 103.252 103.252 107.341 -4.089 19079 4360 1 6 . 1 1 122 122 GLY C C 122 172.124 172.124 174.078 -1.954 19079 4361 1 6 . 1 1 122 122 GLY CA C 122 45.917 45.917 45.203 0.714 19079 4362 1 6 . 1 1 122 122 GLY H H 122 7.828 7.828 8.230 -0.402 19079 4363 1 6 . 1 1 123 123 GLY N N 123 107.688 107.688 111.424 -3.736 19079 4364 1 6 . 1 1 123 123 GLY C C 123 174.470 174.470 173.628 0.842 19079 4365 1 6 . 1 1 123 123 GLY CA C 123 45.051 45.051 44.766 0.285 19079 4366 1 6 . 1 1 123 123 GLY H H 123 8.285 8.285 8.343 -0.058 19079 4367 1 6 . 1 1 124 124 ASP N N 124 120.288 120.288 120.347 -0.059 19079 4368 1 6 . 1 1 124 124 ASP HA H 124 4.621 4.621 4.208 0.413 19079 4369 1 6 . 1 1 124 124 ASP C C 124 176.061 176.061 176.607 -0.546 19079 4370 1 6 . 1 1 124 124 ASP CA C 124 55.465 55.465 55.435 0.030 19079 4371 1 6 . 1 1 124 124 ASP CB C 124 40.111 40.111 40.450 -0.339 19079 4372 1 6 . 1 1 124 124 ASP H H 124 9.054 9.054 7.640 1.414 19079 4373 1 6 . 1 1 125 125 GLY N N 125 105.482 105.482 108.347 -2.865 19079 4374 1 6 . 1 1 125 125 GLY C C 125 174.566 174.566 173.023 1.543 19079 4375 1 6 . 1 1 125 125 GLY CA C 125 45.493 45.493 45.370 0.123 19079 4376 1 6 . 1 1 125 125 GLY H H 125 8.567 8.567 8.657 -0.090 19079 4377 1 6 . 1 1 126 126 HIS N N 126 117.677 117.677 119.762 -2.085 19079 4378 1 6 . 1 1 126 126 HIS HA H 126 5.449 5.449 4.895 0.554 19079 4379 1 6 . 1 1 126 126 HIS C C 126 172.058 172.058 173.723 -1.665 19079 4380 1 6 . 1 1 126 126 HIS CA C 126 54.653 54.653 54.881 -0.228 19079 4381 1 6 . 1 1 126 126 HIS CB C 126 31.709 31.709 31.412 0.297 19079 4382 1 6 . 1 1 126 126 HIS H H 126 7.852 7.852 7.731 0.121 19079 4383 1 6 . 1 1 127 127 VAL N N 127 121.145 121.145 121.081 0.064 19079 4384 1 6 . 1 1 127 127 VAL HA H 127 4.230 4.230 4.699 -0.469 19079 4385 1 6 . 1 1 127 127 VAL C C 127 170.317 170.317 173.722 -3.405 19079 4386 1 6 . 1 1 127 127 VAL CA C 127 60.125 60.125 59.825 0.300 19079 4387 1 6 . 1 1 127 127 VAL CB C 127 34.681 34.681 34.455 0.226 19079 4388 1 6 . 1 1 127 127 VAL H H 127 8.857 8.857 7.869 0.988 19079 4389 1 6 . 1 1 128 128 ALA N N 128 127.867 127.867 127.392 0.475 19079 4390 1 6 . 1 1 128 128 ALA HA H 128 5.222 5.222 4.748 0.474 19079 4391 1 6 . 1 1 128 128 ALA C C 128 175.506 175.506 175.781 -0.275 19079 4392 1 6 . 1 1 128 128 ALA CA C 128 49.199 49.199 50.343 -1.144 19079 4393 1 6 . 1 1 128 128 ALA CB C 128 21.731 21.731 20.417 1.314 19079 4394 1 6 . 1 1 128 128 ALA H H 128 8.400 8.400 8.239 0.161 19079 4395 1 6 . 1 1 129 129 PHE N N 129 121.202 121.202 123.142 -1.940 19079 4396 1 6 . 1 1 129 129 PHE HA H 129 5.301 5.301 5.105 0.196 19079 4397 1 6 . 1 1 129 129 PHE C C 129 176.082 176.082 176.142 -0.060 19079 4398 1 6 . 1 1 129 129 PHE CA C 129 54.759 54.759 56.406 -1.647 19079 4399 1 6 . 1 1 129 129 PHE CB C 129 41.372 41.372 41.623 -0.251 19079 4400 1 6 . 1 1 129 129 PHE H H 129 9.689 9.689 8.749 0.940 19079 4401 1 6 . 1 1 130 130 THR N N 130 121.809 121.809 121.592 0.217 19079 4402 1 6 . 1 1 130 130 THR HA H 130 4.573 4.573 4.397 0.176 19079 4403 1 6 . 1 1 130 130 THR C C 130 173.050 173.050 173.934 -0.884 19079 4404 1 6 . 1 1 130 130 THR CA C 130 63.487 63.487 62.452 1.035 19079 4405 1 6 . 1 1 130 130 THR CB C 130 70.852 70.852 69.055 1.797 19079 4406 1 6 . 1 1 130 130 THR H H 130 8.848 8.848 8.817 0.031 19079 4407 1 6 . 1 1 131 131 ASP N N 131 128.382 128.382 130.030 -1.648 19079 4408 1 6 . 1 1 131 131 ASP HA H 131 4.915 4.915 4.918 -0.003 19079 4409 1 6 . 1 1 131 131 ASP C C 131 175.616 175.616 177.148 -1.532 19079 4410 1 6 . 1 1 131 131 ASP CA C 131 52.924 52.924 54.434 -1.510 19079 4411 1 6 . 1 1 131 131 ASP CB C 131 41.513 41.513 41.099 0.414 19079 4412 1 6 . 1 1 131 131 ASP H H 131 8.722 8.722 8.601 0.121 19079 4413 1 6 . 1 1 132 132 LEU N N 132 123.250 123.250 122.213 1.037 19079 4414 1 6 . 1 1 132 132 LEU HA H 132 4.325 4.325 4.718 -0.393 19079 4415 1 6 . 1 1 132 132 LEU C C 132 179.704 179.704 177.212 2.492 19079 4416 1 6 . 1 1 132 132 LEU CA C 132 55.286 55.286 55.032 0.253 19079 4417 1 6 . 1 1 132 132 LEU CB C 132 42.640 42.640 41.896 0.744 19079 4418 1 6 . 1 1 132 132 LEU H H 132 8.788 8.788 8.079 0.709 19079 4419 1 6 . 1 1 133 133 ARG N N 133 119.561 119.561 121.036 -1.475 19079 4420 1 6 . 1 1 133 133 ARG HA H 133 3.977 3.977 4.179 -0.202 19079 4421 1 6 . 1 1 133 133 ARG C C 133 177.476 177.476 175.395 2.081 19079 4422 1 6 . 1 1 133 133 ARG CA C 133 61.799 61.799 59.276 2.523 19079 4423 1 6 . 1 1 133 133 ARG CB C 133 27.601 27.601 28.651 -1.050 19079 4424 1 6 . 1 1 133 133 ARG H H 133 8.961 8.961 7.984 0.977 19079 4425 1 6 . 1 1 134 134 PRO HA H 134 4.284 4.284 4.391 -0.107 19079 4426 1 6 . 1 1 134 134 PRO C C 134 175.695 175.695 175.558 0.137 19079 4427 1 6 . 1 1 134 134 PRO CA C 134 64.508 64.508 63.361 1.147 19079 4428 1 6 . 1 1 134 134 PRO CB C 134 31.008 31.008 29.875 1.133 19079 4429 1 6 . 1 1 135 135 TYR N N 135 114.745 114.745 119.785 -5.040 19079 4430 1 6 . 1 1 135 135 TYR HA H 135 4.420 4.420 4.553 -0.133 19079 4431 1 6 . 1 1 135 135 TYR C C 135 175.146 175.146 173.101 2.045 19079 4432 1 6 . 1 1 135 135 TYR CA C 135 57.322 57.322 58.250 -0.928 19079 4433 1 6 . 1 1 135 135 TYR CB C 135 39.549 39.549 39.264 0.285 19079 4434 1 6 . 1 1 135 135 TYR H H 135 7.419 7.419 8.722 -1.303 19079 4435 1 6 . 1 1 136 136 ASN N N 136 119.088 119.088 116.987 2.101 19079 4436 1 6 . 1 1 136 136 ASN HA H 136 4.622 4.622 5.076 -0.454 19079 4437 1 6 . 1 1 136 136 ASN C C 136 175.650 175.650 174.870 0.780 19079 4438 1 6 . 1 1 136 136 ASN CA C 136 53.601 53.601 51.678 1.923 19079 4439 1 6 . 1 1 136 136 ASN CB C 136 38.741 38.741 41.226 -2.485 19079 4440 1 6 . 1 1 136 136 ASN H H 136 7.245 7.245 7.694 -0.449 19079 4441 1 6 . 1 1 137 137 ILE N N 137 126.031 126.031 123.035 2.996 19079 4442 1 6 . 1 1 137 137 ILE HA H 137 4.135 4.135 4.234 -0.099 19079 4443 1 6 . 1 1 137 137 ILE C C 137 175.636 175.636 176.671 -1.035 19079 4444 1 6 . 1 1 137 137 ILE CA C 137 61.215 61.215 60.815 0.400 19079 4445 1 6 . 1 1 137 137 ILE CB C 137 38.380 38.380 34.733 3.647 19079 4446 1 6 . 1 1 137 137 ILE H H 137 7.849 7.849 8.622 -0.773 19079 4447 1 6 . 1 1 138 138 LYS N N 138 125.271 125.271 121.986 3.285 19079 4448 1 6 . 1 1 138 138 LYS HA H 138 4.368 4.368 4.307 0.061 19079 4449 1 6 . 1 1 138 138 LYS C C 138 176.110 176.110 176.723 -0.613 19079 4450 1 6 . 1 1 138 138 LYS CA C 138 55.906 55.906 58.475 -2.569 19079 4451 1 6 . 1 1 138 138 LYS CB C 138 33.564 33.564 32.630 0.934 19079 4452 1 6 . 1 1 138 138 LYS H H 138 8.171 8.171 8.245 -0.074 19079 4453 1 6 . 1 1 139 139 ALA N N 139 124.226 124.226 119.451 4.775 19079 4454 1 6 . 1 1 139 139 ALA HA H 139 4.384 4.384 4.350 0.034 19079 4455 1 6 . 1 1 139 139 ALA C C 139 177.788 177.788 176.029 1.759 19079 4456 1 6 . 1 1 139 139 ALA CA C 139 52.522 52.522 52.186 0.336 19079 4457 1 6 . 1 1 139 139 ALA CB C 139 19.531 19.531 19.608 -0.077 19079 4458 1 6 . 1 1 139 139 ALA H H 139 8.207 8.207 8.103 0.104 19079 4459 1 6 . 1 1 140 140 THR N N 140 112.869 112.869 113.191 -0.322 19079 4460 1 6 . 1 1 140 140 THR HA H 140 4.390 4.390 4.135 0.255 19079 4461 1 6 . 1 1 140 140 THR C C 140 174.522 174.522 173.697 0.825 19079 4462 1 6 . 1 1 140 140 THR CA C 140 61.685 61.685 62.880 -1.194 19079 4463 1 6 . 1 1 140 140 THR CB C 140 69.961 69.961 68.995 0.966 19079 4464 1 6 . 1 1 140 140 THR H H 140 8.094 8.094 7.858 0.236 19079 4465 1 6 . 1 1 141 141 SER N N 141 118.138 118.138 117.564 0.574 19079 4466 1 6 . 1 1 141 141 SER HA H 141 4.500 4.500 4.554 -0.054 19079 4467 1 6 . 1 1 141 141 SER C C 141 173.503 173.503 173.169 0.334 19079 4468 1 6 . 1 1 141 141 SER CA C 141 58.315 58.315 58.577 -0.262 19079 4469 1 6 . 1 1 141 141 SER CB C 141 64.039 64.039 63.605 0.434 19079 4470 1 6 . 1 1 141 141 SER H H 141 8.209 8.209 8.417 -0.208 19079 4471 1 7 . 1 1 2 2 PRO HA H 2 4.360 4.360 4.511 -0.151 19079 4472 1 7 . 1 1 2 2 PRO C C 2 178.185 178.185 177.155 1.030 19079 4473 1 7 . 1 1 2 2 PRO CA C 2 65.722 65.722 63.735 1.987 19079 4474 1 7 . 1 1 2 2 PRO CB C 2 33.078 33.078 32.085 0.993 19079 4475 1 7 . 1 1 3 3 SER N N 3 112.403 112.403 115.720 -3.317 19079 4476 1 7 . 1 1 3 3 SER HA H 3 3.136 3.136 4.056 -0.920 19079 4477 1 7 . 1 1 3 3 SER C C 3 172.101 172.101 172.976 -0.875 19079 4478 1 7 . 1 1 3 3 SER CA C 3 57.421 57.421 58.362 -0.941 19079 4479 1 7 . 1 1 3 3 SER CB C 3 62.812 62.812 62.821 -0.008 19079 4480 1 7 . 1 1 3 3 SER H H 3 8.494 8.494 7.925 0.569 19079 4481 1 7 . 1 1 4 4 ASP N N 4 119.024 119.024 123.873 -4.849 19079 4482 1 7 . 1 1 4 4 ASP HA H 4 4.438 4.438 5.015 -0.577 19079 4483 1 7 . 1 1 4 4 ASP C C 4 177.371 177.371 174.978 2.393 19079 4484 1 7 . 1 1 4 4 ASP CA C 4 54.800 54.800 53.806 0.994 19079 4485 1 7 . 1 1 4 4 ASP CB C 4 41.495 41.495 42.897 -1.402 19079 4486 1 7 . 1 1 4 4 ASP H H 4 6.841 6.841 8.390 -1.549 19079 4487 1 7 . 1 1 5 5 LEU N N 5 129.426 129.426 121.448 7.978 19079 4488 1 7 . 1 1 5 5 LEU HA H 5 4.526 4.526 4.072 0.454 19079 4489 1 7 . 1 1 5 5 LEU C C 5 176.246 176.246 174.386 1.860 19079 4490 1 7 . 1 1 5 5 LEU CA C 5 54.010 54.010 55.866 -1.856 19079 4491 1 7 . 1 1 5 5 LEU CB C 5 40.690 40.690 41.198 -0.508 19079 4492 1 7 . 1 1 5 5 LEU H H 5 8.781 8.781 8.519 0.262 19079 4493 1 7 . 1 1 6 6 PHE HA H 6 4.842 4.842 4.764 0.078 19079 4494 1 7 . 1 1 6 6 PHE C C 6 174.584 174.584 173.260 1.324 19079 4495 1 7 . 1 1 6 6 PHE CA C 6 56.782 56.782 56.389 0.394 19079 4496 1 7 . 1 1 6 6 PHE CB C 6 39.576 39.576 40.945 -1.369 19079 4497 1 7 . 1 1 7 7 VAL N N 7 118.923 118.923 122.243 -3.320 19079 4498 1 7 . 1 1 7 7 VAL HA H 7 4.528 4.528 4.383 0.145 19079 4499 1 7 . 1 1 7 7 VAL C C 7 173.989 173.989 174.455 -0.466 19079 4500 1 7 . 1 1 7 7 VAL CA C 7 61.571 61.571 61.148 0.423 19079 4501 1 7 . 1 1 7 7 VAL CB C 7 34.826 34.826 34.263 0.563 19079 4502 1 7 . 1 1 7 7 VAL H H 7 8.586 8.586 8.415 0.171 19079 4503 1 7 . 1 1 8 8 HIS N N 8 132.990 132.990 122.898 10.092 19079 4504 1 7 . 1 1 8 8 HIS HA H 8 5.997 5.997 5.472 0.525 19079 4505 1 7 . 1 1 8 8 HIS C C 8 174.184 174.184 174.110 0.074 19079 4506 1 7 . 1 1 8 8 HIS CA C 8 53.113 53.113 53.663 -0.550 19079 4507 1 7 . 1 1 8 8 HIS CB C 8 33.889 33.889 32.693 1.196 19079 4508 1 7 . 1 1 8 8 HIS H H 8 10.809 10.809 8.527 2.282 19079 4509 1 7 . 1 1 9 9 THR N N 9 118.112 118.112 113.639 4.473 19079 4510 1 7 . 1 1 9 9 THR HA H 9 5.343 5.343 4.828 0.515 19079 4511 1 7 . 1 1 9 9 THR C C 9 175.788 175.788 174.538 1.250 19079 4512 1 7 . 1 1 9 9 THR CA C 9 59.768 59.768 60.940 -1.172 19079 4513 1 7 . 1 1 9 9 THR CB C 9 70.673 70.673 72.025 -1.352 19079 4514 1 7 . 1 1 9 9 THR H H 9 9.512 9.512 8.765 0.747 19079 4515 1 7 . 1 1 10 10 GLU N N 10 117.927 117.927 127.699 -9.772 19079 4516 1 7 . 1 1 10 10 GLU HA H 10 4.096 4.096 3.841 0.255 19079 4517 1 7 . 1 1 10 10 GLU C C 10 176.321 176.321 175.895 0.426 19079 4518 1 7 . 1 1 10 10 GLU CA C 10 59.900 59.900 59.303 0.597 19079 4519 1 7 . 1 1 10 10 GLU CB C 10 29.983 29.983 28.556 1.427 19079 4520 1 7 . 1 1 10 10 GLU H H 10 8.812 8.812 9.335 -0.523 19079 4521 1 7 . 1 1 11 11 GLN N N 11 110.877 110.877 119.604 -8.727 19079 4522 1 7 . 1 1 11 11 GLN HA H 11 4.621 4.621 4.752 -0.131 19079 4523 1 7 . 1 1 11 11 GLN C C 11 175.391 175.391 173.986 1.405 19079 4524 1 7 . 1 1 11 11 GLN CA C 11 56.071 56.071 55.272 0.799 19079 4525 1 7 . 1 1 11 11 GLN CB C 11 31.963 31.963 30.709 1.254 19079 4526 1 7 . 1 1 11 11 GLN H H 11 7.797 7.797 8.160 -0.363 19079 4527 1 7 . 1 1 12 12 ALA N N 12 122.143 122.143 123.079 -0.936 19079 4528 1 7 . 1 1 12 12 ALA HA H 12 5.049 5.049 5.146 -0.097 19079 4529 1 7 . 1 1 12 12 ALA C C 12 174.293 174.293 175.443 -1.150 19079 4530 1 7 . 1 1 12 12 ALA CA C 12 51.943 51.943 50.163 1.780 19079 4531 1 7 . 1 1 12 12 ALA CB C 12 23.177 23.177 21.540 1.637 19079 4532 1 7 . 1 1 12 12 ALA H H 12 7.814 7.814 8.468 -0.654 19079 4533 1 7 . 1 1 13 13 ILE N N 13 119.589 119.589 126.031 -6.442 19079 4534 1 7 . 1 1 13 13 ILE HA H 13 5.399 5.399 4.612 0.787 19079 4535 1 7 . 1 1 13 13 ILE C C 13 174.295 174.295 174.644 -0.349 19079 4536 1 7 . 1 1 13 13 ILE CA C 13 60.102 60.102 59.837 0.265 19079 4537 1 7 . 1 1 13 13 ILE CB C 13 41.080 41.080 38.746 2.334 19079 4538 1 7 . 1 1 13 13 ILE H H 13 9.206 9.206 8.422 0.784 19079 4539 1 7 . 1 1 14 14 TYR N N 14 127.337 127.337 129.302 -1.965 19079 4540 1 7 . 1 1 14 14 TYR HA H 14 4.853 4.853 5.244 -0.391 19079 4541 1 7 . 1 1 14 14 TYR C C 14 172.793 172.793 175.128 -2.335 19079 4542 1 7 . 1 1 14 14 TYR CA C 14 56.784 56.784 56.187 0.597 19079 4543 1 7 . 1 1 14 14 TYR CB C 14 39.797 39.797 38.927 0.870 19079 4544 1 7 . 1 1 14 14 TYR H H 14 9.794 9.794 9.215 0.579 19079 4545 1 7 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.756 -0.384 19079 4546 1 7 . 1 1 15 15 LYS CA C 15 55.924 55.924 54.114 1.810 19079 4547 1 7 . 1 1 15 15 LYS CB C 15 33.563 33.563 36.089 -2.526 19079 4548 1 7 . 1 1 15 15 LYS H H 15 7.550 7.550 7.848 -0.298 19079 4549 1 7 . 1 1 16 16 ASN N N 16 107.943 107.943 121.792 -13.849 19079 4550 1 7 . 1 1 16 16 ASN HA H 16 5.098 5.098 4.616 0.482 19079 4551 1 7 . 1 1 16 16 ASN C C 16 176.475 176.475 176.935 -0.460 19079 4552 1 7 . 1 1 16 16 ASN CA C 16 54.072 54.072 54.309 -0.238 19079 4553 1 7 . 1 1 16 16 ASN CB C 16 38.619 38.619 38.956 -0.337 19079 4554 1 7 . 1 1 16 16 ASN H H 16 8.156 8.156 9.018 -0.862 19079 4555 1 7 . 1 1 17 17 ALA N N 17 127.319 127.319 129.580 -2.261 19079 4556 1 7 . 1 1 17 17 ALA HA H 17 3.608 3.608 4.308 -0.700 19079 4557 1 7 . 1 1 17 17 ALA C C 17 180.081 180.081 178.295 1.786 19079 4558 1 7 . 1 1 17 17 ALA CA C 17 54.282 54.282 54.207 0.075 19079 4559 1 7 . 1 1 17 17 ALA CB C 17 17.646 17.646 18.979 -1.333 19079 4560 1 7 . 1 1 17 17 ALA H H 17 7.573 7.573 8.630 -1.057 19079 4561 1 7 . 1 1 18 18 HIS N N 18 108.625 108.625 115.868 -7.243 19079 4562 1 7 . 1 1 18 18 HIS HA H 18 4.504 4.504 4.483 0.021 19079 4563 1 7 . 1 1 18 18 HIS C C 18 174.182 174.182 176.304 -2.122 19079 4564 1 7 . 1 1 18 18 HIS CA C 18 57.782 57.782 58.346 -0.564 19079 4565 1 7 . 1 1 18 18 HIS CB C 18 26.798 26.798 30.256 -3.458 19079 4566 1 7 . 1 1 18 18 HIS H H 18 8.118 8.118 8.297 -0.179 19079 4567 1 7 . 1 1 19 19 LEU N N 19 117.682 117.682 117.614 0.068 19079 4568 1 7 . 1 1 19 19 LEU HA H 19 4.444 4.444 4.580 -0.136 19079 4569 1 7 . 1 1 19 19 LEU C C 19 175.795 175.795 175.931 -0.136 19079 4570 1 7 . 1 1 19 19 LEU CA C 19 53.309 53.309 54.647 -1.338 19079 4571 1 7 . 1 1 19 19 LEU CB C 19 42.366 42.366 43.352 -0.986 19079 4572 1 7 . 1 1 19 19 LEU H H 19 6.677 6.677 7.617 -0.940 19079 4573 1 7 . 1 1 20 20 THR N N 20 116.187 116.187 108.085 8.102 19079 4574 1 7 . 1 1 20 20 THR HA H 20 4.700 4.700 4.371 0.329 19079 4575 1 7 . 1 1 20 20 THR C C 20 171.105 171.105 174.063 -2.958 19079 4576 1 7 . 1 1 20 20 THR CA C 20 58.570 58.570 61.999 -3.429 19079 4577 1 7 . 1 1 20 20 THR CB C 20 69.724 69.724 70.627 -0.903 19079 4578 1 7 . 1 1 20 20 THR H H 20 7.399 7.399 7.157 0.242 19079 4579 1 7 . 1 1 21 21 THR N N 21 114.194 114.194 119.743 -5.549 19079 4580 1 7 . 1 1 21 21 THR HA H 21 5.124 5.124 4.169 0.955 19079 4581 1 7 . 1 1 21 21 THR CA C 21 58.991 58.991 62.505 -3.514 19079 4582 1 7 . 1 1 21 21 THR CB C 21 71.564 71.564 68.797 2.767 19079 4583 1 7 . 1 1 21 21 THR H H 21 8.410 8.410 7.694 0.716 19079 4584 1 7 . 1 1 22 22 PRO HA H 22 4.432 4.432 4.486 -0.054 19079 4585 1 7 . 1 1 22 22 PRO C C 22 175.895 175.895 176.449 -0.554 19079 4586 1 7 . 1 1 22 22 PRO CA C 22 63.390 63.390 62.820 0.570 19079 4587 1 7 . 1 1 22 22 PRO CB C 22 32.203 32.203 32.013 0.190 19079 4588 1 7 . 1 1 23 23 ASN N N 23 119.233 119.233 117.024 2.209 19079 4589 1 7 . 1 1 23 23 ASN HA H 23 5.032 5.032 4.503 0.529 19079 4590 1 7 . 1 1 23 23 ASN C C 23 175.963 175.963 175.270 0.693 19079 4591 1 7 . 1 1 23 23 ASN CA C 23 52.452 52.452 53.775 -1.323 19079 4592 1 7 . 1 1 23 23 ASN CB C 23 41.420 41.420 38.732 2.688 19079 4593 1 7 . 1 1 23 23 ASN H H 23 9.227 9.227 8.303 0.924 19079 4594 1 7 . 1 1 24 24 ASP N N 24 119.074 119.074 118.483 0.591 19079 4595 1 7 . 1 1 24 24 ASP HA H 24 4.417 4.417 4.652 -0.235 19079 4596 1 7 . 1 1 24 24 ASP C C 24 176.983 176.983 176.091 0.892 19079 4597 1 7 . 1 1 24 24 ASP CA C 24 56.942 56.942 54.039 2.903 19079 4598 1 7 . 1 1 24 24 ASP CB C 24 40.266 40.266 40.279 -0.013 19079 4599 1 7 . 1 1 24 24 ASP H H 24 8.649 8.649 8.553 0.096 19079 4600 1 7 . 1 1 25 25 GLN N N 25 116.580 116.580 118.007 -1.427 19079 4601 1 7 . 1 1 25 25 GLN HA H 25 4.425 4.425 4.512 -0.087 19079 4602 1 7 . 1 1 25 25 GLN C C 25 177.373 177.373 176.089 1.284 19079 4603 1 7 . 1 1 25 25 GLN CA C 25 55.419 55.419 55.637 -0.218 19079 4604 1 7 . 1 1 25 25 GLN CB C 25 28.933 28.933 28.606 0.327 19079 4605 1 7 . 1 1 25 25 GLN H H 25 9.028 9.028 8.222 0.806 19079 4606 1 7 . 1 1 26 26 THR N N 26 122.196 122.196 110.796 11.400 19079 4607 1 7 . 1 1 26 26 THR HA H 26 4.779 4.779 4.171 0.608 19079 4608 1 7 . 1 1 26 26 THR C C 26 174.583 174.583 174.027 0.556 19079 4609 1 7 . 1 1 26 26 THR CA C 26 65.218 65.218 62.337 2.881 19079 4610 1 7 . 1 1 26 26 THR CB C 26 68.963 68.963 69.792 -0.829 19079 4611 1 7 . 1 1 26 26 THR H H 26 7.692 7.692 7.509 0.183 19079 4612 1 7 . 1 1 27 27 ILE N N 27 129.367 129.367 118.954 10.413 19079 4613 1 7 . 1 1 27 27 ILE HA H 27 4.112 4.112 4.225 -0.113 19079 4614 1 7 . 1 1 27 27 ILE C C 27 175.734 175.734 175.268 0.466 19079 4615 1 7 . 1 1 27 27 ILE CA C 27 62.558 62.558 61.782 0.776 19079 4616 1 7 . 1 1 27 27 ILE CB C 27 40.357 40.357 39.501 0.856 19079 4617 1 7 . 1 1 27 27 ILE H H 27 9.785 9.785 8.463 1.322 19079 4618 1 7 . 1 1 28 28 LEU N N 28 120.773 120.773 121.050 -0.277 19079 4619 1 7 . 1 1 28 28 LEU HA H 28 4.506 4.506 4.597 -0.091 19079 4620 1 7 . 1 1 28 28 LEU C C 28 173.083 173.083 174.894 -1.811 19079 4621 1 7 . 1 1 28 28 LEU CA C 28 55.337 55.337 54.271 1.066 19079 4622 1 7 . 1 1 28 28 LEU CB C 28 45.942 45.942 45.350 0.592 19079 4623 1 7 . 1 1 28 28 LEU H H 28 7.814 7.814 7.450 0.364 19079 4624 1 7 . 1 1 29 29 LEU N N 29 128.285 128.285 125.111 3.174 19079 4625 1 7 . 1 1 29 29 LEU HA H 29 4.798 4.798 4.430 0.368 19079 4626 1 7 . 1 1 29 29 LEU C C 29 174.589 174.589 176.731 -2.142 19079 4627 1 7 . 1 1 29 29 LEU CA C 29 54.133 54.133 54.456 -0.323 19079 4628 1 7 . 1 1 29 29 LEU CB C 29 43.909 43.909 42.989 0.920 19079 4629 1 7 . 1 1 29 29 LEU H H 29 8.653 8.653 8.548 0.105 19079 4630 1 7 . 1 1 30 30 ALA N N 30 132.532 132.532 126.484 6.048 19079 4631 1 7 . 1 1 30 30 ALA HA H 30 4.995 4.995 4.678 0.317 19079 4632 1 7 . 1 1 30 30 ALA C C 30 177.994 177.994 177.267 0.727 19079 4633 1 7 . 1 1 30 30 ALA CA C 30 49.621 49.621 51.518 -1.897 19079 4634 1 7 . 1 1 30 30 ALA CB C 30 18.022 18.022 19.709 -1.687 19079 4635 1 7 . 1 1 30 30 ALA H H 30 9.179 9.179 8.714 0.465 19079 4636 1 7 . 1 1 31 31 LEU N N 31 126.651 126.651 121.818 4.833 19079 4637 1 7 . 1 1 31 31 LEU HA H 31 4.619 4.619 4.004 0.615 19079 4638 1 7 . 1 1 31 31 LEU CA C 31 59.032 59.032 57.634 1.398 19079 4639 1 7 . 1 1 31 31 LEU CB C 31 41.356 41.356 41.875 -0.519 19079 4640 1 7 . 1 1 31 31 LEU H H 31 8.828 8.828 8.456 0.372 19079 4641 1 7 . 1 1 32 32 THR HA H 32 4.283 4.283 3.975 0.308 19079 4642 1 7 . 1 1 32 32 THR C C 32 173.341 173.341 174.829 -1.488 19079 4643 1 7 . 1 1 32 32 THR CA C 32 63.443 63.443 65.012 -1.569 19079 4644 1 7 . 1 1 32 32 THR CB C 32 68.639 68.639 68.433 0.206 19079 4645 1 7 . 1 1 32 32 THR H H 32 8.105 8.105 8.233 -0.128 19079 4646 1 7 . 1 1 33 33 ALA N N 33 122.960 122.960 120.120 2.840 19079 4647 1 7 . 1 1 33 33 ALA HA H 33 5.301 5.301 4.672 0.629 19079 4648 1 7 . 1 1 33 33 ALA C C 33 175.467 175.467 175.746 -0.279 19079 4649 1 7 . 1 1 33 33 ALA CA C 33 50.782 50.782 50.715 0.067 19079 4650 1 7 . 1 1 33 33 ALA CB C 33 20.256 20.256 20.187 0.069 19079 4651 1 7 . 1 1 33 33 ALA H H 33 7.328 7.328 7.737 -0.409 19079 4652 1 7 . 1 1 34 34 ASP N N 34 115.713 115.713 116.703 -0.990 19079 4653 1 7 . 1 1 34 34 ASP HA H 34 4.194 4.194 4.258 -0.064 19079 4654 1 7 . 1 1 34 34 ASP C C 34 175.750 175.750 174.802 0.948 19079 4655 1 7 . 1 1 34 34 ASP CA C 34 55.269 55.269 55.498 -0.229 19079 4656 1 7 . 1 1 34 34 ASP CB C 34 40.525 40.525 39.218 1.307 19079 4657 1 7 . 1 1 34 34 ASP H H 34 7.927 7.927 7.815 0.112 19079 4658 1 7 . 1 1 35 35 LEU N N 35 119.485 119.485 118.483 1.002 19079 4659 1 7 . 1 1 35 35 LEU HA H 35 5.102 5.102 4.748 0.354 19079 4660 1 7 . 1 1 35 35 LEU C C 35 173.060 173.060 174.500 -1.440 19079 4661 1 7 . 1 1 35 35 LEU CA C 35 54.268 54.268 53.494 0.774 19079 4662 1 7 . 1 1 35 35 LEU CB C 35 47.326 47.326 45.305 2.021 19079 4663 1 7 . 1 1 35 35 LEU H H 35 7.820 7.820 7.692 0.128 19079 4664 1 7 . 1 1 36 36 GLN N N 36 127.748 127.748 122.279 5.469 19079 4665 1 7 . 1 1 36 36 GLN HA H 36 4.790 4.790 4.997 -0.207 19079 4666 1 7 . 1 1 36 36 GLN C C 36 173.161 173.161 174.898 -1.737 19079 4667 1 7 . 1 1 36 36 GLN CA C 36 55.286 55.286 53.819 1.467 19079 4668 1 7 . 1 1 36 36 GLN CB C 36 32.594 32.594 33.005 -0.411 19079 4669 1 7 . 1 1 36 36 GLN H H 36 9.050 9.050 8.146 0.904 19079 4670 1 7 . 1 1 37 37 ILE N N 37 125.606 125.606 122.586 3.020 19079 4671 1 7 . 1 1 37 37 ILE HA H 37 4.807 4.807 4.824 -0.017 19079 4672 1 7 . 1 1 37 37 ILE C C 37 174.921 174.921 174.593 0.328 19079 4673 1 7 . 1 1 37 37 ILE CA C 37 59.869 59.869 59.755 0.114 19079 4674 1 7 . 1 1 37 37 ILE CB C 37 39.750 39.750 39.785 -0.035 19079 4675 1 7 . 1 1 37 37 ILE H H 37 8.828 8.828 8.113 0.715 19079 4676 1 7 . 1 1 38 38 ASP N N 38 128.163 128.163 125.585 2.578 19079 4677 1 7 . 1 1 38 38 ASP HA H 38 5.259 5.259 4.994 0.265 19079 4678 1 7 . 1 1 38 38 ASP C C 38 176.122 176.122 175.427 0.695 19079 4679 1 7 . 1 1 38 38 ASP CA C 38 52.316 52.316 52.605 -0.289 19079 4680 1 7 . 1 1 38 38 ASP CB C 38 43.251 43.251 43.461 -0.210 19079 4681 1 7 . 1 1 38 38 ASP H H 38 9.226 9.226 8.506 0.720 19079 4682 1 7 . 1 1 39 39 GLY N N 39 107.273 107.273 106.384 0.889 19079 4683 1 7 . 1 1 39 39 GLY C C 39 171.808 171.808 173.026 -1.218 19079 4684 1 7 . 1 1 39 39 GLY CA C 39 45.108 45.108 44.213 0.895 19079 4685 1 7 . 1 1 39 39 GLY H H 39 8.682 8.682 8.428 0.254 19079 4686 1 7 . 1 1 40 40 CYS N N 40 114.602 114.602 118.211 -3.609 19079 4687 1 7 . 1 1 40 40 CYS HA H 40 4.832 4.832 4.554 0.278 19079 4688 1 7 . 1 1 40 40 CYS CA C 40 55.517 55.517 58.692 -3.175 19079 4689 1 7 . 1 1 40 40 CYS CB C 40 30.872 30.872 30.563 0.309 19079 4690 1 7 . 1 1 40 40 CYS H H 40 7.784 7.784 8.130 -0.346 19079 4691 1 7 . 1 1 41 41 ASP N N 41 121.388 121.388 123.015 -1.627 19079 4692 1 7 . 1 1 41 41 ASP HA H 41 4.618 4.618 4.735 -0.117 19079 4693 1 7 . 1 1 41 41 ASP CA C 41 54.808 54.808 54.791 0.017 19079 4694 1 7 . 1 1 41 41 ASP CB C 41 41.299 41.299 41.125 0.174 19079 4695 1 7 . 1 1 41 41 ASP H H 41 8.496 8.496 8.428 0.068 19079 4696 1 7 . 1 1 42 42 GLN N N 42 118.506 118.506 119.732 -1.226 19079 4697 1 7 . 1 1 42 42 GLN HA H 42 4.900 4.900 4.607 0.293 19079 4698 1 7 . 1 1 42 42 GLN CA C 42 52.529 52.529 52.988 -0.459 19079 4699 1 7 . 1 1 42 42 GLN CB C 42 30.580 30.580 28.713 1.867 19079 4700 1 7 . 1 1 42 42 GLN H H 42 7.592 7.592 7.782 -0.190 19079 4701 1 7 . 1 1 43 43 PRO HA H 43 4.438 4.438 4.645 -0.207 19079 4702 1 7 . 1 1 43 43 PRO CA C 43 63.283 63.283 62.986 0.297 19079 4703 1 7 . 1 1 43 43 PRO CB C 43 32.178 32.178 32.548 -0.370 19079 4704 1 7 . 1 1 44 44 GLY N N 44 109.062 109.062 108.942 0.120 19079 4705 1 7 . 1 1 44 44 GLY CA C 44 45.265 45.265 43.129 2.136 19079 4706 1 7 . 1 1 44 44 GLY H H 44 8.249 8.249 8.176 0.073 19079 4707 1 7 . 1 1 45 45 PRO HA H 45 4.535 4.535 4.361 0.174 19079 4708 1 7 . 1 1 45 45 PRO CA C 45 63.511 63.511 63.501 0.010 19079 4709 1 7 . 1 1 45 45 PRO CB C 45 33.193 33.193 31.955 1.238 19079 4710 1 7 . 1 1 46 46 ASP N N 46 121.254 121.254 121.076 0.178 19079 4711 1 7 . 1 1 46 46 ASP HA H 46 4.784 4.784 4.409 0.375 19079 4712 1 7 . 1 1 46 46 ASP C C 46 174.555 174.555 175.530 -0.975 19079 4713 1 7 . 1 1 46 46 ASP CA C 46 55.268 55.268 55.295 -0.027 19079 4714 1 7 . 1 1 46 46 ASP CB C 46 43.360 43.360 40.636 2.724 19079 4715 1 7 . 1 1 46 46 ASP H H 46 8.533 8.533 8.265 0.268 19079 4716 1 7 . 1 1 47 47 ASN N N 47 118.452 118.452 121.907 -3.455 19079 4717 1 7 . 1 1 47 47 ASN HA H 47 4.912 4.912 4.794 0.118 19079 4718 1 7 . 1 1 47 47 ASN C C 47 172.394 172.394 174.492 -2.098 19079 4719 1 7 . 1 1 47 47 ASN CA C 47 52.877 52.877 51.808 1.069 19079 4720 1 7 . 1 1 47 47 ASN CB C 47 42.185 42.185 39.010 3.175 19079 4721 1 7 . 1 1 47 47 ASN H H 47 8.668 8.668 8.322 0.346 19079 4722 1 7 . 1 1 48 48 ILE N N 48 126.910 126.910 125.767 1.143 19079 4723 1 7 . 1 1 48 48 ILE HA H 48 5.269 5.269 3.957 1.312 19079 4724 1 7 . 1 1 48 48 ILE CA C 48 57.457 57.457 61.253 -3.796 19079 4725 1 7 . 1 1 48 48 ILE CB C 48 39.411 39.411 37.382 2.029 19079 4726 1 7 . 1 1 48 48 ILE H H 48 8.377 8.377 8.204 0.173 19079 4727 1 7 . 1 1 49 49 PRO HA H 49 4.571 4.571 4.385 0.186 19079 4728 1 7 . 1 1 49 49 PRO CA C 49 62.019 62.019 62.597 -0.578 19079 4729 1 7 . 1 1 49 49 PRO CB C 49 34.068 34.068 32.595 1.473 19079 4730 1 7 . 1 1 50 50 ASP N N 50 117.512 117.512 116.939 0.573 19079 4731 1 7 . 1 1 50 50 ASP HA H 50 4.847 4.847 4.863 -0.016 19079 4732 1 7 . 1 1 50 50 ASP C C 50 175.105 175.105 175.143 -0.038 19079 4733 1 7 . 1 1 50 50 ASP CA C 50 52.186 52.186 54.197 -2.011 19079 4734 1 7 . 1 1 50 50 ASP CB C 50 40.206 40.206 41.223 -1.017 19079 4735 1 7 . 1 1 50 50 ASP H H 50 7.928 7.928 8.350 -0.422 19079 4736 1 7 . 1 1 51 51 CYS N N 51 117.841 117.841 120.417 -2.576 19079 4737 1 7 . 1 1 51 51 CYS HA H 51 4.645 4.645 4.481 0.164 19079 4738 1 7 . 1 1 51 51 CYS C C 51 173.952 173.952 173.402 0.550 19079 4739 1 7 . 1 1 51 51 CYS CA C 51 57.079 57.079 59.421 -2.342 19079 4740 1 7 . 1 1 51 51 CYS CB C 51 31.834 31.834 29.012 2.822 19079 4741 1 7 . 1 1 51 51 CYS H H 51 6.998 6.998 8.376 -1.378 19079 4742 1 7 . 1 1 52 52 ASP N N 52 113.831 113.831 122.496 -8.665 19079 4743 1 7 . 1 1 52 52 ASP HA H 52 4.790 4.790 4.329 0.461 19079 4744 1 7 . 1 1 52 52 ASP C C 52 177.522 177.522 175.354 2.168 19079 4745 1 7 . 1 1 52 52 ASP CA C 52 52.266 52.266 54.910 -2.643 19079 4746 1 7 . 1 1 52 52 ASP CB C 52 41.108 41.108 39.794 1.313 19079 4747 1 7 . 1 1 52 52 ASP H H 52 7.839 7.839 8.449 -0.610 19079 4748 1 7 . 1 1 53 53 CYS N N 53 120.924 120.924 121.057 -0.133 19079 4749 1 7 . 1 1 53 53 CYS HA H 53 4.176 4.176 4.409 -0.233 19079 4750 1 7 . 1 1 53 53 CYS C C 53 177.320 177.320 175.867 1.453 19079 4751 1 7 . 1 1 53 53 CYS CA C 53 62.456 62.456 58.152 4.304 19079 4752 1 7 . 1 1 53 53 CYS CB C 53 31.077 31.077 28.280 2.797 19079 4753 1 7 . 1 1 53 53 CYS H H 53 8.180 8.180 8.346 -0.166 19079 4754 1 7 . 1 1 54 54 THR N N 54 108.381 108.381 112.762 -4.381 19079 4755 1 7 . 1 1 54 54 THR HA H 54 4.168 4.168 4.413 -0.245 19079 4756 1 7 . 1 1 54 54 THR C C 54 172.044 172.044 174.481 -2.437 19079 4757 1 7 . 1 1 54 54 THR CA C 54 60.645 60.645 63.852 -3.208 19079 4758 1 7 . 1 1 54 54 THR CB C 54 69.425 69.425 69.707 -0.282 19079 4759 1 7 . 1 1 54 54 THR H H 54 8.728 8.728 8.237 0.491 19079 4760 1 7 . 1 1 55 55 SER N N 55 114.465 114.465 119.083 -4.618 19079 4761 1 7 . 1 1 55 55 SER HA H 55 4.906 4.906 4.944 -0.038 19079 4762 1 7 . 1 1 55 55 SER C C 55 172.897 172.897 174.713 -1.816 19079 4763 1 7 . 1 1 55 55 SER CA C 55 56.279 56.279 57.373 -1.094 19079 4764 1 7 . 1 1 55 55 SER CB C 55 66.156 66.156 63.305 2.851 19079 4765 1 7 . 1 1 55 55 SER H H 55 7.433 7.433 7.914 -0.481 19079 4766 1 7 . 1 1 56 56 GLY N N 56 106.492 106.492 111.858 -5.366 19079 4767 1 7 . 1 1 56 56 GLY C C 56 172.400 172.400 172.683 -0.283 19079 4768 1 7 . 1 1 56 56 GLY CA C 56 46.778 46.778 44.066 2.712 19079 4769 1 7 . 1 1 56 56 GLY H H 56 8.431 8.431 8.662 -0.231 19079 4770 1 7 . 1 1 57 57 CYS N N 57 123.907 123.907 117.946 5.961 19079 4771 1 7 . 1 1 57 57 CYS HA H 57 5.755 5.755 5.665 0.090 19079 4772 1 7 . 1 1 57 57 CYS C C 57 171.012 171.012 173.030 -2.018 19079 4773 1 7 . 1 1 57 57 CYS CA C 57 54.317 54.317 57.161 -2.844 19079 4774 1 7 . 1 1 57 57 CYS CB C 57 32.040 32.040 29.900 2.140 19079 4775 1 7 . 1 1 57 57 CYS H H 57 9.782 9.782 8.722 1.060 19079 4776 1 7 . 1 1 58 58 TYR N N 58 121.251 121.251 121.898 -0.647 19079 4777 1 7 . 1 1 58 58 TYR HA H 58 6.413 6.413 5.710 0.703 19079 4778 1 7 . 1 1 58 58 TYR C C 58 172.177 172.177 173.512 -1.335 19079 4779 1 7 . 1 1 58 58 TYR CA C 58 54.179 54.179 54.415 -0.236 19079 4780 1 7 . 1 1 58 58 TYR CB C 58 44.751 44.751 41.688 3.063 19079 4781 1 7 . 1 1 58 58 TYR H H 58 9.324 9.324 8.789 0.535 19079 4782 1 7 . 1 1 59 59 TYR N N 59 119.921 119.921 124.494 -4.573 19079 4783 1 7 . 1 1 59 59 TYR HA H 59 3.155 3.155 3.639 -0.484 19079 4784 1 7 . 1 1 59 59 TYR C C 59 173.490 173.490 174.323 -0.833 19079 4785 1 7 . 1 1 59 59 TYR CA C 59 56.439 56.439 57.585 -1.146 19079 4786 1 7 . 1 1 59 59 TYR CB C 59 38.280 38.280 37.423 0.857 19079 4787 1 7 . 1 1 59 59 TYR H H 59 7.851 7.851 7.749 0.102 19079 4788 1 7 . 1 1 60 60 SER N N 60 122.333 122.333 123.120 -0.787 19079 4789 1 7 . 1 1 60 60 SER HA H 60 4.286 4.286 4.258 0.028 19079 4790 1 7 . 1 1 60 60 SER C C 60 174.282 174.282 174.753 -0.471 19079 4791 1 7 . 1 1 60 60 SER CA C 60 54.201 54.201 57.564 -3.363 19079 4792 1 7 . 1 1 60 60 SER CB C 60 63.429 63.429 63.341 0.088 19079 4793 1 7 . 1 1 60 60 SER H H 60 7.184 7.184 7.955 -0.771 19079 4794 1 7 . 1 1 61 61 ARG N N 61 131.876 131.876 128.633 3.243 19079 4795 1 7 . 1 1 61 61 ARG HA H 61 3.755 3.755 3.956 -0.201 19079 4796 1 7 . 1 1 61 61 ARG C C 61 179.454 179.454 177.370 2.084 19079 4797 1 7 . 1 1 61 61 ARG CA C 61 58.733 58.733 57.245 1.488 19079 4798 1 7 . 1 1 61 61 ARG CB C 61 29.216 29.216 30.058 -0.842 19079 4799 1 7 . 1 1 61 61 ARG H H 61 9.058 9.058 8.324 0.734 19079 4800 1 7 . 1 1 62 62 SER N N 62 115.806 115.806 113.889 1.917 19079 4801 1 7 . 1 1 62 62 SER HA H 62 4.021 4.021 4.338 -0.317 19079 4802 1 7 . 1 1 62 62 SER C C 62 177.405 177.405 175.269 2.136 19079 4803 1 7 . 1 1 62 62 SER CA C 62 60.787 60.787 60.417 0.370 19079 4804 1 7 . 1 1 62 62 SER CB C 62 60.994 60.994 63.164 -2.170 19079 4805 1 7 . 1 1 62 62 SER H H 62 8.933 8.933 8.216 0.717 19079 4806 1 7 . 1 1 63 63 LEU N N 63 120.142 120.142 119.563 0.579 19079 4807 1 7 . 1 1 63 63 LEU HA H 63 4.315 4.315 4.554 -0.239 19079 4808 1 7 . 1 1 63 63 LEU C C 63 175.462 175.462 176.325 -0.863 19079 4809 1 7 . 1 1 63 63 LEU CA C 63 54.589 54.589 54.018 0.571 19079 4810 1 7 . 1 1 63 63 LEU CB C 63 41.583 41.583 42.031 -0.448 19079 4811 1 7 . 1 1 63 63 LEU H H 63 7.372 7.372 7.022 0.350 19079 4812 1 7 . 1 1 64 64 ASP N N 64 124.723 124.723 119.819 4.904 19079 4813 1 7 . 1 1 64 64 ASP HA H 64 4.308 4.308 4.154 0.154 19079 4814 1 7 . 1 1 64 64 ASP C C 64 174.405 174.405 174.643 -0.238 19079 4815 1 7 . 1 1 64 64 ASP CA C 64 54.269 54.269 55.262 -0.993 19079 4816 1 7 . 1 1 64 64 ASP CB C 64 39.892 39.892 39.782 0.110 19079 4817 1 7 . 1 1 64 64 ASP H H 64 8.122 8.122 7.683 0.439 19079 4818 1 7 . 1 1 65 65 ARG N N 65 111.932 111.932 113.436 -1.504 19079 4819 1 7 . 1 1 65 65 ARG HA H 65 4.648 4.648 4.497 0.151 19079 4820 1 7 . 1 1 65 65 ARG C C 65 172.842 172.842 174.155 -1.313 19079 4821 1 7 . 1 1 65 65 ARG CA C 65 54.327 54.327 54.857 -0.530 19079 4822 1 7 . 1 1 65 65 ARG CB C 65 33.013 33.013 31.383 1.630 19079 4823 1 7 . 1 1 65 65 ARG H H 65 7.434 7.434 7.697 -0.263 19079 4824 1 7 . 1 1 66 66 TYR N N 66 121.286 121.286 122.200 -0.914 19079 4825 1 7 . 1 1 66 66 TYR HA H 66 4.821 4.821 4.752 0.069 19079 4826 1 7 . 1 1 66 66 TYR C C 66 176.123 176.123 176.410 -0.287 19079 4827 1 7 . 1 1 66 66 TYR CA C 66 56.752 56.752 59.320 -2.568 19079 4828 1 7 . 1 1 66 66 TYR CB C 66 41.877 41.877 39.153 2.724 19079 4829 1 7 . 1 1 66 66 TYR H H 66 8.068 8.068 8.656 -0.588 19079 4830 1 7 . 1 1 67 67 ILE N N 67 119.080 119.080 120.237 -1.157 19079 4831 1 7 . 1 1 67 67 ILE HA H 67 4.620 4.620 4.801 -0.181 19079 4832 1 7 . 1 1 67 67 ILE CA C 67 57.840 57.840 57.190 0.650 19079 4833 1 7 . 1 1 67 67 ILE CB C 67 41.191 41.191 41.250 -0.059 19079 4834 1 7 . 1 1 67 67 ILE H H 67 8.640 8.640 8.624 0.016 19079 4835 1 7 . 1 1 68 68 PRO HA H 68 4.772 4.772 4.951 -0.179 19079 4836 1 7 . 1 1 68 68 PRO CA C 68 62.709 62.709 62.611 0.098 19079 4837 1 7 . 1 1 68 68 PRO CB C 68 32.923 32.923 31.238 1.685 19079 4838 1 7 . 1 1 69 69 VAL N N 69 120.668 120.668 116.235 4.433 19079 4839 1 7 . 1 1 69 69 VAL HA H 69 4.764 4.764 4.608 0.156 19079 4840 1 7 . 1 1 69 69 VAL C C 69 171.299 171.299 173.797 -2.498 19079 4841 1 7 . 1 1 69 69 VAL CA C 69 60.758 60.758 58.987 1.771 19079 4842 1 7 . 1 1 69 69 VAL CB C 69 36.158 36.158 35.758 0.400 19079 4843 1 7 . 1 1 69 69 VAL H H 69 8.866 8.866 8.664 0.202 19079 4844 1 7 . 1 1 70 70 GLU N N 70 127.352 127.352 121.610 5.742 19079 4845 1 7 . 1 1 70 70 GLU HA H 70 4.694 4.694 4.931 -0.237 19079 4846 1 7 . 1 1 70 70 GLU C C 70 176.084 176.084 175.348 0.736 19079 4847 1 7 . 1 1 70 70 GLU CA C 70 55.438 55.438 55.059 0.379 19079 4848 1 7 . 1 1 70 70 GLU CB C 70 31.941 31.941 31.543 0.398 19079 4849 1 7 . 1 1 70 70 GLU H H 70 8.303 8.303 8.508 -0.205 19079 4850 1 7 . 1 1 71 71 CYS N N 71 118.985 118.985 122.594 -3.609 19079 4851 1 7 . 1 1 71 71 CYS HA H 71 5.283 5.283 5.232 0.051 19079 4852 1 7 . 1 1 71 71 CYS C C 71 173.987 173.987 173.493 0.494 19079 4853 1 7 . 1 1 71 71 CYS CA C 71 56.927 56.927 55.614 1.313 19079 4854 1 7 . 1 1 71 71 CYS CB C 71 32.056 32.056 31.840 0.216 19079 4855 1 7 . 1 1 71 71 CYS H H 71 8.044 8.044 8.769 -0.725 19079 4856 1 7 . 1 1 72 72 GLU N N 72 119.188 119.188 118.725 0.463 19079 4857 1 7 . 1 1 72 72 GLU HA H 72 4.550 4.550 4.513 0.037 19079 4858 1 7 . 1 1 72 72 GLU C C 72 175.540 175.540 175.104 0.436 19079 4859 1 7 . 1 1 72 72 GLU CA C 72 54.422 54.422 54.094 0.328 19079 4860 1 7 . 1 1 72 72 GLU CB C 72 32.723 32.723 31.318 1.405 19079 4861 1 7 . 1 1 72 72 GLU H H 72 8.651 8.651 8.852 -0.201 19079 4862 1 7 . 1 1 73 73 ALA N N 73 128.127 128.127 127.378 0.749 19079 4863 1 7 . 1 1 73 73 ALA HA H 73 4.894 4.894 4.494 0.400 19079 4864 1 7 . 1 1 73 73 ALA C C 73 177.065 177.065 176.674 0.391 19079 4865 1 7 . 1 1 73 73 ALA CA C 73 51.934 51.934 51.706 0.228 19079 4866 1 7 . 1 1 73 73 ALA CB C 73 19.744 19.744 19.430 0.314 19079 4867 1 7 . 1 1 73 73 ALA H H 73 8.825 8.825 8.413 0.412 19079 4868 1 7 . 1 1 74 74 HIS N N 74 120.049 120.049 123.631 -3.582 19079 4869 1 7 . 1 1 74 74 HIS HA H 74 4.730 4.730 4.669 0.061 19079 4870 1 7 . 1 1 74 74 HIS C C 74 173.973 173.973 175.059 -1.086 19079 4871 1 7 . 1 1 74 74 HIS CA C 74 54.940 54.940 55.482 -0.542 19079 4872 1 7 . 1 1 74 74 HIS CB C 74 32.641 32.641 33.176 -0.535 19079 4873 1 7 . 1 1 74 74 HIS H H 74 8.813 8.813 8.741 0.072 19079 4874 1 7 . 1 1 75 75 ASP N N 75 125.469 125.469 124.831 0.638 19079 4875 1 7 . 1 1 75 75 ASP HA H 75 4.619 4.619 4.390 0.229 19079 4876 1 7 . 1 1 75 75 ASP CA C 75 57.576 57.576 57.209 0.367 19079 4877 1 7 . 1 1 75 75 ASP CB C 75 42.215 42.215 41.218 0.997 19079 4878 1 7 . 1 1 75 75 ASP H H 75 8.951 8.951 8.798 0.153 19079 4879 1 7 . 1 1 76 76 TRP N N 76 113.768 113.768 114.502 -0.734 19079 4880 1 7 . 1 1 76 76 TRP HA H 76 5.455 5.455 4.884 0.571 19079 4881 1 7 . 1 1 76 76 TRP CA C 76 54.833 54.833 56.583 -1.750 19079 4882 1 7 . 1 1 76 76 TRP CB C 76 31.701 31.701 30.267 1.434 19079 4883 1 7 . 1 1 76 76 TRP H H 76 7.574 7.574 7.038 0.536 19079 4884 1 7 . 1 1 77 77 TYR N N 77 122.650 122.650 120.809 1.841 19079 4885 1 7 . 1 1 77 77 TYR CA C 77 57.248 57.248 55.464 1.784 19079 4886 1 7 . 1 1 77 77 TYR CB C 77 33.700 33.700 42.345 -8.645 19079 4887 1 7 . 1 1 77 77 TYR H H 77 8.981 8.981 8.160 0.821 19079 4888 1 7 . 1 1 78 78 PRO HA H 78 4.493 4.493 4.786 -0.293 19079 4889 1 7 . 1 1 78 78 PRO CA C 78 62.242 62.242 62.902 -0.660 19079 4890 1 7 . 1 1 78 78 PRO CB C 78 31.237 31.237 32.017 -0.780 19079 4891 1 7 . 1 1 79 79 VAL N N 79 123.871 123.871 125.764 -1.893 19079 4892 1 7 . 1 1 79 79 VAL HA H 79 3.953 3.953 4.625 -0.672 19079 4893 1 7 . 1 1 79 79 VAL C C 79 174.991 174.991 174.532 0.459 19079 4894 1 7 . 1 1 79 79 VAL CA C 79 61.545 61.545 59.184 2.361 19079 4895 1 7 . 1 1 79 79 VAL CB C 79 33.090 33.090 33.481 -0.391 19079 4896 1 7 . 1 1 79 79 VAL H H 79 8.512 8.512 9.098 -0.586 19079 4897 1 7 . 1 1 80 80 GLU N N 80 124.050 124.050 128.440 -4.390 19079 4898 1 7 . 1 1 80 80 GLU HA H 80 4.072 4.072 4.131 -0.059 19079 4899 1 7 . 1 1 80 80 GLU C C 80 175.607 175.607 175.390 0.217 19079 4900 1 7 . 1 1 80 80 GLU CA C 80 56.291 56.291 56.322 -0.031 19079 4901 1 7 . 1 1 80 80 GLU CB C 80 30.272 30.272 29.707 0.565 19079 4902 1 7 . 1 1 80 80 GLU H H 80 8.068 8.068 8.554 -0.486 19079 4903 1 7 . 1 1 81 81 GLU N N 81 120.701 120.701 120.880 -0.179 19079 4904 1 7 . 1 1 81 81 GLU HA H 81 4.194 4.194 3.955 0.239 19079 4905 1 7 . 1 1 81 81 GLU C C 81 175.817 175.817 176.125 -0.308 19079 4906 1 7 . 1 1 81 81 GLU CA C 81 57.390 57.390 57.277 0.113 19079 4907 1 7 . 1 1 81 81 GLU CB C 81 30.713 30.713 29.863 0.850 19079 4908 1 7 . 1 1 81 81 GLU H H 81 8.751 8.751 8.611 0.140 19079 4909 1 7 . 1 1 82 82 THR N N 82 115.162 115.162 118.048 -2.886 19079 4910 1 7 . 1 1 82 82 THR HA H 82 4.688 4.688 4.405 0.283 19079 4911 1 7 . 1 1 82 82 THR CA C 82 60.041 60.041 60.454 -0.413 19079 4912 1 7 . 1 1 82 82 THR CB C 82 73.866 73.866 70.232 3.634 19079 4913 1 7 . 1 1 82 82 THR H H 82 8.631 8.631 8.049 0.582 19079 4914 1 7 . 1 1 83 83 GLN N N 83 116.650 116.650 119.422 -2.772 19079 4915 1 7 . 1 1 83 83 GLN HA H 83 4.629 4.629 4.135 0.494 19079 4916 1 7 . 1 1 83 83 GLN CA C 83 57.643 57.643 57.570 0.073 19079 4917 1 7 . 1 1 83 83 GLN CB C 83 30.537 30.537 28.873 1.664 19079 4918 1 7 . 1 1 83 83 GLN H H 83 8.714 8.714 8.592 0.122 19079 4919 1 7 . 1 1 86 86 PRO HA H 86 4.779 4.779 4.353 0.426 19079 4920 1 7 . 1 1 86 86 PRO CA C 86 62.018 62.018 62.168 -0.150 19079 4921 1 7 . 1 1 86 86 PRO CB C 86 32.818 32.818 32.573 0.245 19079 4922 1 7 . 1 1 87 87 LYS N N 87 123.136 123.136 120.823 2.313 19079 4923 1 7 . 1 1 87 87 LYS HA H 87 4.545 4.545 4.564 -0.019 19079 4924 1 7 . 1 1 87 87 LYS C C 87 176.411 176.411 176.369 0.042 19079 4925 1 7 . 1 1 87 87 LYS CA C 87 57.800 57.800 57.278 0.522 19079 4926 1 7 . 1 1 87 87 LYS CB C 87 32.322 32.322 32.503 -0.181 19079 4927 1 7 . 1 1 87 87 LYS H H 87 8.936 8.936 8.395 0.541 19079 4928 1 7 . 1 1 88 88 HIS N N 88 119.788 119.788 122.315 -2.527 19079 4929 1 7 . 1 1 88 88 HIS HA H 88 4.973 4.973 4.615 0.358 19079 4930 1 7 . 1 1 88 88 HIS C C 88 171.431 171.431 173.261 -1.830 19079 4931 1 7 . 1 1 88 88 HIS CA C 88 55.171 55.171 55.702 -0.531 19079 4932 1 7 . 1 1 88 88 HIS CB C 88 29.695 29.695 33.299 -3.604 19079 4933 1 7 . 1 1 88 88 HIS H H 88 8.490 8.490 8.291 0.199 19079 4934 1 7 . 1 1 89 89 ILE N N 89 120.371 120.371 119.968 0.403 19079 4935 1 7 . 1 1 89 89 ILE HA H 89 4.453 4.453 4.859 -0.406 19079 4936 1 7 . 1 1 89 89 ILE C C 89 176.167 176.167 175.553 0.614 19079 4937 1 7 . 1 1 89 89 ILE CA C 89 60.066 60.066 59.428 0.638 19079 4938 1 7 . 1 1 89 89 ILE CB C 89 38.855 38.855 38.647 0.208 19079 4939 1 7 . 1 1 89 89 ILE H H 89 8.417 8.417 8.499 -0.082 19079 4940 1 7 . 1 1 90 90 GLN N N 90 122.913 122.913 124.362 -1.449 19079 4941 1 7 . 1 1 90 90 GLN HA H 90 5.313 5.313 4.767 0.546 19079 4942 1 7 . 1 1 90 90 GLN CA C 90 54.194 54.194 54.620 -0.426 19079 4943 1 7 . 1 1 90 90 GLN CB C 90 32.780 32.780 32.650 0.130 19079 4944 1 7 . 1 1 90 90 GLN H H 90 8.286 8.286 8.648 -0.362 19079 4945 1 7 . 1 1 91 91 TYR N N 91 117.779 117.779 117.093 0.686 19079 4946 1 7 . 1 1 91 91 TYR HA H 91 5.394 5.394 5.077 0.317 19079 4947 1 7 . 1 1 91 91 TYR C C 91 175.762 175.762 174.761 1.001 19079 4948 1 7 . 1 1 91 91 TYR CA C 91 56.672 56.672 57.364 -0.692 19079 4949 1 7 . 1 1 91 91 TYR CB C 91 41.701 41.701 42.995 -1.294 19079 4950 1 7 . 1 1 91 91 TYR H H 91 8.086 8.086 8.506 -0.420 19079 4951 1 7 . 1 1 92 92 ASN N N 92 113.182 113.182 116.490 -3.308 19079 4952 1 7 . 1 1 92 92 ASN HA H 92 4.558 4.558 4.406 0.152 19079 4953 1 7 . 1 1 92 92 ASN C C 92 172.369 172.369 173.801 -1.432 19079 4954 1 7 . 1 1 92 92 ASN CA C 92 55.522 55.522 54.135 1.387 19079 4955 1 7 . 1 1 92 92 ASN CB C 92 37.732 37.732 36.354 1.378 19079 4956 1 7 . 1 1 92 92 ASN H H 92 8.529 8.529 8.520 0.009 19079 4957 1 7 . 1 1 93 93 LEU N N 93 117.359 117.359 118.870 -1.511 19079 4958 1 7 . 1 1 93 93 LEU HA H 93 5.455 5.455 5.233 0.222 19079 4959 1 7 . 1 1 93 93 LEU C C 93 177.709 177.709 175.432 2.277 19079 4960 1 7 . 1 1 93 93 LEU CA C 93 54.341 54.341 53.781 0.560 19079 4961 1 7 . 1 1 93 93 LEU CB C 93 47.006 47.006 46.205 0.801 19079 4962 1 7 . 1 1 93 93 LEU H H 93 7.846 7.846 8.055 -0.209 19079 4963 1 7 . 1 1 94 94 LEU N N 94 123.298 123.298 123.222 0.076 19079 4964 1 7 . 1 1 94 94 LEU HA H 94 5.014 5.014 5.071 -0.057 19079 4965 1 7 . 1 1 94 94 LEU C C 94 175.771 175.771 176.109 -0.338 19079 4966 1 7 . 1 1 94 94 LEU CA C 94 53.889 53.889 54.143 -0.254 19079 4967 1 7 . 1 1 94 94 LEU CB C 94 44.784 44.784 43.734 1.050 19079 4968 1 7 . 1 1 94 94 LEU H H 94 9.155 9.155 8.745 0.410 19079 4969 1 7 . 1 1 95 95 ILE N N 95 121.585 121.585 125.116 -3.531 19079 4970 1 7 . 1 1 95 95 ILE HA H 95 5.166 5.166 4.667 0.499 19079 4971 1 7 . 1 1 95 95 ILE C C 95 175.885 175.885 175.495 0.390 19079 4972 1 7 . 1 1 95 95 ILE CA C 95 59.795 59.795 59.226 0.569 19079 4973 1 7 . 1 1 95 95 ILE CB C 95 39.820 39.820 38.449 1.371 19079 4974 1 7 . 1 1 95 95 ILE H H 95 8.920 8.920 7.980 0.940 19079 4975 1 7 . 1 1 96 96 GLY N N 96 115.891 115.891 115.010 0.881 19079 4976 1 7 . 1 1 96 96 GLY C C 96 171.937 171.937 172.625 -0.688 19079 4977 1 7 . 1 1 96 96 GLY CA C 96 44.865 44.865 44.446 0.419 19079 4978 1 7 . 1 1 96 96 GLY H H 96 9.223 9.223 9.050 0.173 19079 4979 1 7 . 1 1 97 97 GLU N N 97 119.340 119.340 125.851 -6.511 19079 4980 1 7 . 1 1 97 97 GLU HA H 97 4.831 4.831 3.968 0.863 19079 4981 1 7 . 1 1 97 97 GLU C C 97 175.567 175.567 175.956 -0.389 19079 4982 1 7 . 1 1 97 97 GLU CA C 97 55.736 55.736 56.618 -0.882 19079 4983 1 7 . 1 1 97 97 GLU CB C 97 31.009 31.009 29.817 1.192 19079 4984 1 7 . 1 1 97 97 GLU H H 97 8.197 8.197 8.455 -0.258 19079 4985 1 7 . 1 1 98 98 GLY N N 98 113.912 113.912 113.562 0.350 19079 4986 1 7 . 1 1 98 98 GLY CA C 98 45.089 45.089 43.783 1.306 19079 4987 1 7 . 1 1 98 98 GLY H H 98 7.767 7.767 7.558 0.209 19079 4988 1 7 . 1 1 99 99 PRO HA H 99 4.347 4.347 4.564 -0.217 19079 4989 1 7 . 1 1 99 99 PRO CA C 99 62.396 62.396 62.388 0.008 19079 4990 1 7 . 1 1 99 99 PRO CB C 99 32.558 32.558 33.044 -0.486 19079 4991 1 7 . 1 1 100 100 CYS N N 100 122.972 122.972 119.199 3.773 19079 4992 1 7 . 1 1 100 100 CYS HA H 100 4.567 4.567 4.739 -0.172 19079 4993 1 7 . 1 1 100 100 CYS C C 100 172.077 172.077 172.851 -0.774 19079 4994 1 7 . 1 1 100 100 CYS CA C 100 60.097 60.097 58.327 1.770 19079 4995 1 7 . 1 1 100 100 CYS CB C 100 28.063 28.063 28.942 -0.879 19079 4996 1 7 . 1 1 100 100 CYS H H 100 8.219 8.219 8.301 -0.082 19079 4997 1 7 . 1 1 101 101 VAL N N 101 123.973 123.973 122.355 1.618 19079 4998 1 7 . 1 1 101 101 VAL HA H 101 4.888 4.888 4.564 0.324 19079 4999 1 7 . 1 1 101 101 VAL CA C 101 58.947 58.947 58.688 0.259 19079 5000 1 7 . 1 1 101 101 VAL CB C 101 32.322 32.322 34.106 -1.784 19079 5001 1 7 . 1 1 101 101 VAL H H 101 8.662 8.662 8.125 0.537 19079 5002 1 7 . 1 1 103 103 GLY C C 103 175.333 175.333 174.646 0.687 19079 5003 1 7 . 1 1 103 103 GLY CA C 103 45.683 45.683 45.391 0.292 19079 5004 1 7 . 1 1 104 104 ASP N N 104 121.740 121.740 122.744 -1.004 19079 5005 1 7 . 1 1 104 104 ASP HA H 104 4.836 4.836 4.483 0.353 19079 5006 1 7 . 1 1 104 104 ASP C C 104 176.601 176.601 176.019 0.582 19079 5007 1 7 . 1 1 104 104 ASP CA C 104 54.700 54.700 55.709 -1.009 19079 5008 1 7 . 1 1 104 104 ASP CB C 104 41.322 41.322 41.150 0.172 19079 5009 1 7 . 1 1 104 104 ASP H H 104 8.217 8.217 7.968 0.249 19079 5010 1 7 . 1 1 105 105 ALA N N 105 121.750 121.750 119.975 1.775 19079 5011 1 7 . 1 1 105 105 ALA HA H 105 3.707 3.707 3.877 -0.170 19079 5012 1 7 . 1 1 105 105 ALA C C 105 175.218 175.218 177.763 -2.545 19079 5013 1 7 . 1 1 105 105 ALA CA C 105 54.002 54.002 53.437 0.565 19079 5014 1 7 . 1 1 105 105 ALA CB C 105 18.021 18.021 18.285 -0.264 19079 5015 1 7 . 1 1 105 105 ALA H H 105 7.672 7.672 8.023 -0.351 19079 5016 1 7 . 1 1 106 106 GLY N N 106 110.675 110.675 111.678 -1.003 19079 5017 1 7 . 1 1 106 106 GLY C C 106 174.112 174.112 174.705 -0.593 19079 5018 1 7 . 1 1 106 106 GLY CA C 106 45.354 45.354 44.696 0.659 19079 5019 1 7 . 1 1 106 106 GLY H H 106 8.781 8.781 7.891 0.890 19079 5020 1 7 . 1 1 107 107 GLY N N 107 104.052 104.052 109.995 -5.943 19079 5021 1 7 . 1 1 107 107 GLY C C 107 173.970 173.970 174.523 -0.553 19079 5022 1 7 . 1 1 107 107 GLY CA C 107 46.405 46.405 45.127 1.278 19079 5023 1 7 . 1 1 107 107 GLY H H 107 7.727 7.727 7.799 -0.072 19079 5024 1 7 . 1 1 108 108 LYS N N 108 122.212 122.212 125.362 -3.150 19079 5025 1 7 . 1 1 108 108 LYS HA H 108 4.442 4.442 4.275 0.167 19079 5026 1 7 . 1 1 108 108 LYS C C 108 175.056 175.056 175.912 -0.856 19079 5027 1 7 . 1 1 108 108 LYS CA C 108 58.497 58.497 56.167 2.330 19079 5028 1 7 . 1 1 108 108 LYS CB C 108 36.053 36.053 32.851 3.202 19079 5029 1 7 . 1 1 108 108 LYS H H 108 8.553 8.553 8.410 0.143 19079 5030 1 7 . 1 1 109 109 LEU N N 109 119.300 119.300 128.564 -9.264 19079 5031 1 7 . 1 1 109 109 LEU HA H 109 4.881 4.881 5.212 -0.331 19079 5032 1 7 . 1 1 109 109 LEU C C 109 175.017 175.017 174.621 0.396 19079 5033 1 7 . 1 1 109 109 LEU CA C 109 53.372 53.372 53.876 -0.504 19079 5034 1 7 . 1 1 109 109 LEU CB C 109 43.275 43.275 43.434 -0.159 19079 5035 1 7 . 1 1 109 109 LEU H H 109 8.065 8.065 9.100 -1.035 19079 5036 1 7 . 1 1 110 110 LEU N N 110 126.757 126.757 127.958 -1.201 19079 5037 1 7 . 1 1 110 110 LEU HA H 110 5.498 5.498 4.863 0.635 19079 5038 1 7 . 1 1 110 110 LEU C C 110 176.125 176.125 175.748 0.377 19079 5039 1 7 . 1 1 110 110 LEU CA C 110 55.318 55.318 54.499 0.819 19079 5040 1 7 . 1 1 110 110 LEU CB C 110 44.799 44.799 44.332 0.467 19079 5041 1 7 . 1 1 110 110 LEU H H 110 9.450 9.450 9.111 0.339 19079 5042 1 7 . 1 1 111 111 CYS N N 111 118.897 118.897 119.672 -0.775 19079 5043 1 7 . 1 1 111 111 CYS HA H 111 5.254 5.254 4.798 0.456 19079 5044 1 7 . 1 1 111 111 CYS C C 111 177.063 177.063 175.585 1.478 19079 5045 1 7 . 1 1 111 111 CYS CA C 111 57.201 57.201 56.535 0.666 19079 5046 1 7 . 1 1 111 111 CYS CB C 111 32.532 32.532 30.732 1.800 19079 5047 1 7 . 1 1 111 111 CYS H H 111 8.575 8.575 8.589 -0.014 19079 5048 1 7 . 1 1 112 112 ARG N N 112 116.382 116.382 120.168 -3.786 19079 5049 1 7 . 1 1 112 112 ARG HA H 112 3.918 3.918 3.859 0.059 19079 5050 1 7 . 1 1 112 112 ARG C C 112 176.892 176.892 177.376 -0.484 19079 5051 1 7 . 1 1 112 112 ARG CA C 112 59.714 59.714 58.598 1.116 19079 5052 1 7 . 1 1 112 112 ARG CB C 112 29.874 29.874 29.440 0.434 19079 5053 1 7 . 1 1 112 112 ARG H H 112 8.350 8.350 8.653 -0.303 19079 5054 1 7 . 1 1 113 113 HIS N N 113 121.579 121.579 114.284 7.295 19079 5055 1 7 . 1 1 113 113 HIS HA H 113 4.480 4.480 4.632 -0.152 19079 5056 1 7 . 1 1 113 113 HIS C C 113 175.439 175.439 175.675 -0.236 19079 5057 1 7 . 1 1 113 113 HIS CA C 113 58.739 58.739 55.825 2.914 19079 5058 1 7 . 1 1 113 113 HIS CB C 113 31.050 31.050 30.466 0.584 19079 5059 1 7 . 1 1 113 113 HIS H H 113 10.445 10.445 7.061 3.384 19079 5060 1 7 . 1 1 114 114 GLY N N 114 108.273 108.273 105.994 2.279 19079 5061 1 7 . 1 1 114 114 GLY C C 114 169.307 169.307 172.756 -3.449 19079 5062 1 7 . 1 1 114 114 GLY CA C 114 45.413 45.413 44.591 0.822 19079 5063 1 7 . 1 1 114 114 GLY H H 114 7.689 7.689 7.512 0.177 19079 5064 1 7 . 1 1 115 115 VAL N N 115 120.998 120.998 122.098 -1.100 19079 5065 1 7 . 1 1 115 115 VAL HA H 115 4.476 4.476 4.013 0.463 19079 5066 1 7 . 1 1 115 115 VAL C C 115 173.881 173.881 176.212 -2.331 19079 5067 1 7 . 1 1 115 115 VAL CA C 115 62.513 62.513 65.008 -2.495 19079 5068 1 7 . 1 1 115 115 VAL CB C 115 32.113 32.113 32.091 0.022 19079 5069 1 7 . 1 1 115 115 VAL H H 115 8.455 8.455 8.411 0.044 19079 5070 1 7 . 1 1 116 116 ILE N N 116 114.566 114.566 119.696 -5.130 19079 5071 1 7 . 1 1 116 116 ILE HA H 116 4.603 4.603 4.593 0.010 19079 5072 1 7 . 1 1 116 116 ILE C C 116 175.445 175.445 174.650 0.795 19079 5073 1 7 . 1 1 116 116 ILE CA C 116 61.470 61.470 60.052 1.418 19079 5074 1 7 . 1 1 116 116 ILE CB C 116 40.782 40.782 38.526 2.256 19079 5075 1 7 . 1 1 116 116 ILE H H 116 8.460 8.460 8.991 -0.531 19079 5076 1 7 . 1 1 117 117 GLY N N 117 106.195 106.195 107.865 -1.670 19079 5077 1 7 . 1 1 117 117 GLY C C 117 171.664 171.664 171.856 -0.192 19079 5078 1 7 . 1 1 117 117 GLY CA C 117 46.303 46.303 45.844 0.459 19079 5079 1 7 . 1 1 117 117 GLY H H 117 7.827 7.827 7.532 0.295 19079 5080 1 7 . 1 1 118 118 ILE N N 118 109.501 109.501 115.706 -6.205 19079 5081 1 7 . 1 1 118 118 ILE HA H 118 5.611 5.611 5.643 -0.032 19079 5082 1 7 . 1 1 118 118 ILE C C 118 176.642 176.642 175.301 1.341 19079 5083 1 7 . 1 1 118 118 ILE CA C 118 58.787 58.787 57.675 1.113 19079 5084 1 7 . 1 1 118 118 ILE CB C 118 43.351 43.351 42.002 1.349 19079 5085 1 7 . 1 1 118 118 ILE H H 118 7.571 7.571 7.915 -0.344 19079 5086 1 7 . 1 1 119 119 ILE N N 119 124.258 124.258 120.647 3.611 19079 5087 1 7 . 1 1 119 119 ILE HA H 119 3.774 3.774 3.404 0.370 19079 5088 1 7 . 1 1 119 119 ILE C C 119 177.447 177.447 176.597 0.850 19079 5089 1 7 . 1 1 119 119 ILE CA C 119 64.399 64.399 61.905 2.494 19079 5090 1 7 . 1 1 119 119 ILE CB C 119 39.393 39.393 36.399 2.994 19079 5091 1 7 . 1 1 119 119 ILE H H 119 9.465 9.465 8.061 1.404 19079 5092 1 7 . 1 1 120 120 THR N N 120 122.153 122.153 123.759 -1.606 19079 5093 1 7 . 1 1 120 120 THR HA H 120 4.670 4.670 4.246 0.424 19079 5094 1 7 . 1 1 120 120 THR C C 120 171.416 171.416 173.899 -2.483 19079 5095 1 7 . 1 1 120 120 THR CA C 120 61.440 61.440 60.914 0.526 19079 5096 1 7 . 1 1 120 120 THR CB C 120 70.455 70.455 69.703 0.752 19079 5097 1 7 . 1 1 120 120 THR H H 120 9.400 9.400 8.019 1.381 19079 5098 1 7 . 1 1 121 121 ALA N N 121 124.014 124.014 121.256 2.758 19079 5099 1 7 . 1 1 121 121 ALA HA H 121 4.583 4.583 4.261 0.322 19079 5100 1 7 . 1 1 121 121 ALA C C 121 173.695 173.695 174.499 -0.804 19079 5101 1 7 . 1 1 121 121 ALA CA C 121 51.833 51.833 51.695 0.138 19079 5102 1 7 . 1 1 121 121 ALA CB C 121 22.523 22.523 19.487 3.036 19079 5103 1 7 . 1 1 121 121 ALA H H 121 7.885 7.885 7.015 0.870 19079 5104 1 7 . 1 1 122 122 GLY N N 122 103.252 103.252 105.709 -2.457 19079 5105 1 7 . 1 1 122 122 GLY C C 122 172.124 172.124 173.104 -0.980 19079 5106 1 7 . 1 1 122 122 GLY CA C 122 45.917 45.917 45.077 0.840 19079 5107 1 7 . 1 1 122 122 GLY H H 122 7.828 7.828 8.412 -0.584 19079 5108 1 7 . 1 1 123 123 GLY N N 123 107.688 107.688 106.798 0.890 19079 5109 1 7 . 1 1 123 123 GLY C C 123 174.470 174.470 173.320 1.150 19079 5110 1 7 . 1 1 123 123 GLY CA C 123 45.051 45.051 45.322 -0.272 19079 5111 1 7 . 1 1 123 123 GLY H H 123 8.285 8.285 8.433 -0.148 19079 5112 1 7 . 1 1 124 124 ASP N N 124 120.288 120.288 120.291 -0.003 19079 5113 1 7 . 1 1 124 124 ASP HA H 124 4.621 4.621 4.419 0.202 19079 5114 1 7 . 1 1 124 124 ASP C C 124 176.061 176.061 177.266 -1.205 19079 5115 1 7 . 1 1 124 124 ASP CA C 124 55.465 55.465 54.636 0.829 19079 5116 1 7 . 1 1 124 124 ASP CB C 124 40.111 40.111 40.515 -0.404 19079 5117 1 7 . 1 1 124 124 ASP H H 124 9.054 9.054 7.913 1.141 19079 5118 1 7 . 1 1 125 125 GLY N N 125 105.482 105.482 109.614 -4.132 19079 5119 1 7 . 1 1 125 125 GLY C C 125 174.566 174.566 173.104 1.462 19079 5120 1 7 . 1 1 125 125 GLY CA C 125 45.493 45.493 45.191 0.302 19079 5121 1 7 . 1 1 125 125 GLY H H 125 8.567 8.567 8.835 -0.268 19079 5122 1 7 . 1 1 126 126 HIS N N 126 117.677 117.677 118.972 -1.295 19079 5123 1 7 . 1 1 126 126 HIS HA H 126 5.449 5.449 5.204 0.245 19079 5124 1 7 . 1 1 126 126 HIS C C 126 172.058 172.058 173.312 -1.254 19079 5125 1 7 . 1 1 126 126 HIS CA C 126 54.653 54.653 55.224 -0.571 19079 5126 1 7 . 1 1 126 126 HIS CB C 126 31.709 31.709 32.225 -0.516 19079 5127 1 7 . 1 1 126 126 HIS H H 126 7.852 7.852 7.664 0.188 19079 5128 1 7 . 1 1 127 127 VAL N N 127 121.145 121.145 125.243 -4.098 19079 5129 1 7 . 1 1 127 127 VAL HA H 127 4.230 4.230 4.343 -0.113 19079 5130 1 7 . 1 1 127 127 VAL C C 127 170.317 170.317 173.677 -3.360 19079 5131 1 7 . 1 1 127 127 VAL CA C 127 60.125 60.125 59.651 0.474 19079 5132 1 7 . 1 1 127 127 VAL CB C 127 34.681 34.681 33.909 0.772 19079 5133 1 7 . 1 1 127 127 VAL H H 127 8.857 8.857 8.966 -0.109 19079 5134 1 7 . 1 1 128 128 ALA N N 128 127.867 127.867 131.958 -4.091 19079 5135 1 7 . 1 1 128 128 ALA HA H 128 5.222 5.222 4.817 0.405 19079 5136 1 7 . 1 1 128 128 ALA C C 128 175.506 175.506 175.686 -0.180 19079 5137 1 7 . 1 1 128 128 ALA CA C 128 49.199 49.199 50.750 -1.551 19079 5138 1 7 . 1 1 128 128 ALA CB C 128 21.731 21.731 21.033 0.698 19079 5139 1 7 . 1 1 128 128 ALA H H 128 8.400 8.400 8.503 -0.103 19079 5140 1 7 . 1 1 129 129 PHE N N 129 121.202 121.202 118.101 3.101 19079 5141 1 7 . 1 1 129 129 PHE HA H 129 5.301 5.301 5.162 0.139 19079 5142 1 7 . 1 1 129 129 PHE C C 129 176.082 176.082 175.637 0.445 19079 5143 1 7 . 1 1 129 129 PHE CA C 129 54.759 54.759 56.772 -2.013 19079 5144 1 7 . 1 1 129 129 PHE CB C 129 41.372 41.372 43.760 -2.388 19079 5145 1 7 . 1 1 129 129 PHE H H 129 9.689 9.689 8.249 1.440 19079 5146 1 7 . 1 1 130 130 THR N N 130 121.809 121.809 119.527 2.282 19079 5147 1 7 . 1 1 130 130 THR HA H 130 4.573 4.573 4.588 -0.015 19079 5148 1 7 . 1 1 130 130 THR C C 130 173.050 173.050 174.613 -1.563 19079 5149 1 7 . 1 1 130 130 THR CA C 130 63.487 63.487 62.316 1.171 19079 5150 1 7 . 1 1 130 130 THR CB C 130 70.852 70.852 69.723 1.129 19079 5151 1 7 . 1 1 130 130 THR H H 130 8.848 8.848 8.843 0.005 19079 5152 1 7 . 1 1 131 131 ASP N N 131 128.382 128.382 130.139 -1.757 19079 5153 1 7 . 1 1 131 131 ASP HA H 131 4.915 4.915 4.573 0.342 19079 5154 1 7 . 1 1 131 131 ASP C C 131 175.616 175.616 176.354 -0.738 19079 5155 1 7 . 1 1 131 131 ASP CA C 131 52.924 52.924 55.084 -2.160 19079 5156 1 7 . 1 1 131 131 ASP CB C 131 41.513 41.513 40.533 0.980 19079 5157 1 7 . 1 1 131 131 ASP H H 131 8.722 8.722 8.389 0.333 19079 5158 1 7 . 1 1 132 132 LEU N N 132 123.250 123.250 127.279 -4.029 19079 5159 1 7 . 1 1 132 132 LEU HA H 132 4.325 4.325 4.663 -0.338 19079 5160 1 7 . 1 1 132 132 LEU C C 132 179.704 179.704 177.875 1.829 19079 5161 1 7 . 1 1 132 132 LEU CA C 132 55.286 55.286 55.661 -0.375 19079 5162 1 7 . 1 1 132 132 LEU CB C 132 42.640 42.640 42.551 0.089 19079 5163 1 7 . 1 1 132 132 LEU H H 132 8.788 8.788 8.110 0.678 19079 5164 1 7 . 1 1 133 133 ARG N N 133 119.561 119.561 120.999 -1.438 19079 5165 1 7 . 1 1 133 133 ARG HA H 133 3.977 3.977 4.211 -0.234 19079 5166 1 7 . 1 1 133 133 ARG C C 133 177.476 177.476 175.833 1.643 19079 5167 1 7 . 1 1 133 133 ARG CA C 133 61.799 61.799 60.415 1.384 19079 5168 1 7 . 1 1 133 133 ARG CB C 133 27.601 27.601 28.264 -0.663 19079 5169 1 7 . 1 1 133 133 ARG H H 133 8.961 8.961 7.913 1.048 19079 5170 1 7 . 1 1 134 134 PRO HA H 134 4.284 4.284 4.277 0.007 19079 5171 1 7 . 1 1 134 134 PRO C C 134 175.695 175.695 176.565 -0.870 19079 5172 1 7 . 1 1 134 134 PRO CA C 134 64.508 64.508 64.165 0.343 19079 5173 1 7 . 1 1 134 134 PRO CB C 134 31.008 31.008 31.146 -0.139 19079 5174 1 7 . 1 1 135 135 TYR N N 135 114.745 114.745 116.921 -2.176 19079 5175 1 7 . 1 1 135 135 TYR HA H 135 4.420 4.420 4.434 -0.014 19079 5176 1 7 . 1 1 135 135 TYR C C 135 175.146 175.146 174.635 0.511 19079 5177 1 7 . 1 1 135 135 TYR CA C 135 57.322 57.322 58.899 -1.577 19079 5178 1 7 . 1 1 135 135 TYR CB C 135 39.549 39.549 37.789 1.760 19079 5179 1 7 . 1 1 135 135 TYR H H 135 7.419 7.419 7.970 -0.551 19079 5180 1 7 . 1 1 136 136 ASN N N 136 119.088 119.088 115.378 3.710 19079 5181 1 7 . 1 1 136 136 ASN HA H 136 4.622 4.622 4.788 -0.166 19079 5182 1 7 . 1 1 136 136 ASN C C 136 175.650 175.650 175.166 0.484 19079 5183 1 7 . 1 1 136 136 ASN CA C 136 53.601 53.601 51.100 2.501 19079 5184 1 7 . 1 1 136 136 ASN CB C 136 38.741 38.741 40.981 -2.240 19079 5185 1 7 . 1 1 136 136 ASN H H 136 7.245 7.245 7.410 -0.165 19079 5186 1 7 . 1 1 137 137 ILE N N 137 126.031 126.031 122.718 3.313 19079 5187 1 7 . 1 1 137 137 ILE HA H 137 4.135 4.135 4.279 -0.144 19079 5188 1 7 . 1 1 137 137 ILE C C 137 175.636 175.636 175.732 -0.096 19079 5189 1 7 . 1 1 137 137 ILE CA C 137 61.215 61.215 60.325 0.890 19079 5190 1 7 . 1 1 137 137 ILE CB C 137 38.380 38.380 34.995 3.385 19079 5191 1 7 . 1 1 137 137 ILE H H 137 7.849 7.849 8.528 -0.679 19079 5192 1 7 . 1 1 138 138 LYS N N 138 125.271 125.271 122.345 2.926 19079 5193 1 7 . 1 1 138 138 LYS HA H 138 4.368 4.368 4.401 -0.033 19079 5194 1 7 . 1 1 138 138 LYS C C 138 176.110 176.110 176.285 -0.175 19079 5195 1 7 . 1 1 138 138 LYS CA C 138 55.906 55.906 58.530 -2.624 19079 5196 1 7 . 1 1 138 138 LYS CB C 138 33.564 33.564 32.554 1.010 19079 5197 1 7 . 1 1 138 138 LYS H H 138 8.171 8.171 8.025 0.146 19079 5198 1 7 . 1 1 139 139 ALA N N 139 124.226 124.226 119.293 4.933 19079 5199 1 7 . 1 1 139 139 ALA HA H 139 4.384 4.384 4.313 0.071 19079 5200 1 7 . 1 1 139 139 ALA C C 139 177.788 177.788 176.449 1.339 19079 5201 1 7 . 1 1 139 139 ALA CA C 139 52.522 52.522 52.341 0.181 19079 5202 1 7 . 1 1 139 139 ALA CB C 139 19.531 19.531 19.725 -0.194 19079 5203 1 7 . 1 1 139 139 ALA H H 139 8.207 8.207 8.030 0.177 19079 5204 1 7 . 1 1 140 140 THR N N 140 112.869 112.869 113.343 -0.474 19079 5205 1 7 . 1 1 140 140 THR HA H 140 4.390 4.390 4.435 -0.045 19079 5206 1 7 . 1 1 140 140 THR C C 140 174.522 174.522 172.907 1.615 19079 5207 1 7 . 1 1 140 140 THR CA C 140 61.685 61.685 61.266 0.419 19079 5208 1 7 . 1 1 140 140 THR CB C 140 69.961 69.961 69.714 0.247 19079 5209 1 7 . 1 1 140 140 THR H H 140 8.094 8.094 7.786 0.308 19079 5210 1 7 . 1 1 141 141 SER N N 141 118.138 118.138 117.667 0.471 19079 5211 1 7 . 1 1 141 141 SER HA H 141 4.500 4.500 5.007 -0.507 19079 5212 1 7 . 1 1 141 141 SER C C 141 173.503 173.503 174.132 -0.629 19079 5213 1 7 . 1 1 141 141 SER CA C 141 58.315 58.315 57.362 0.953 19079 5214 1 7 . 1 1 141 141 SER CB C 141 64.039 64.039 64.636 -0.597 19079 5215 1 7 . 1 1 141 141 SER H H 141 8.209 8.209 8.311 -0.102 19079 5216 1 8 . 1 1 2 2 PRO HA H 2 4.360 4.360 4.547 -0.187 19079 5217 1 8 . 1 1 2 2 PRO C C 2 178.185 178.185 176.920 1.265 19079 5218 1 8 . 1 1 2 2 PRO CA C 2 65.722 65.722 63.565 2.157 19079 5219 1 8 . 1 1 2 2 PRO CB C 2 33.078 33.078 32.023 1.055 19079 5220 1 8 . 1 1 3 3 SER N N 3 112.403 112.403 115.876 -3.473 19079 5221 1 8 . 1 1 3 3 SER HA H 3 3.136 3.136 4.507 -1.371 19079 5222 1 8 . 1 1 3 3 SER C C 3 172.101 172.101 173.861 -1.760 19079 5223 1 8 . 1 1 3 3 SER CA C 3 57.421 57.421 57.902 -0.481 19079 5224 1 8 . 1 1 3 3 SER CB C 3 62.812 62.812 63.226 -0.414 19079 5225 1 8 . 1 1 3 3 SER H H 3 8.494 8.494 7.825 0.669 19079 5226 1 8 . 1 1 4 4 ASP N N 4 119.024 119.024 126.677 -7.653 19079 5227 1 8 . 1 1 4 4 ASP HA H 4 4.438 4.438 4.925 -0.487 19079 5228 1 8 . 1 1 4 4 ASP C C 4 177.371 177.371 176.322 1.049 19079 5229 1 8 . 1 1 4 4 ASP CA C 4 54.800 54.800 53.531 1.269 19079 5230 1 8 . 1 1 4 4 ASP CB C 4 41.495 41.495 41.807 -0.312 19079 5231 1 8 . 1 1 4 4 ASP H H 4 6.841 6.841 8.478 -1.637 19079 5232 1 8 . 1 1 5 5 LEU N N 5 129.426 129.426 119.798 9.628 19079 5233 1 8 . 1 1 5 5 LEU HA H 5 4.526 4.526 4.080 0.446 19079 5234 1 8 . 1 1 5 5 LEU C C 5 176.246 176.246 177.876 -1.630 19079 5235 1 8 . 1 1 5 5 LEU CA C 5 54.010 54.010 57.297 -3.287 19079 5236 1 8 . 1 1 5 5 LEU CB C 5 40.690 40.690 42.146 -1.456 19079 5237 1 8 . 1 1 5 5 LEU H H 5 8.781 8.781 8.074 0.707 19079 5238 1 8 . 1 1 6 6 PHE HA H 6 4.842 4.842 4.066 0.776 19079 5239 1 8 . 1 1 6 6 PHE C C 6 174.584 174.584 174.377 0.207 19079 5240 1 8 . 1 1 6 6 PHE CA C 6 56.782 56.782 60.877 -4.095 19079 5241 1 8 . 1 1 6 6 PHE CB C 6 39.576 39.576 38.437 1.139 19079 5242 1 8 . 1 1 7 7 VAL N N 7 118.923 118.923 116.302 2.621 19079 5243 1 8 . 1 1 7 7 VAL HA H 7 4.528 4.528 4.259 0.269 19079 5244 1 8 . 1 1 7 7 VAL C C 7 173.989 173.989 173.908 0.081 19079 5245 1 8 . 1 1 7 7 VAL CA C 7 61.571 61.571 60.646 0.925 19079 5246 1 8 . 1 1 7 7 VAL CB C 7 34.826 34.826 34.565 0.261 19079 5247 1 8 . 1 1 7 7 VAL H H 7 8.586 8.586 8.169 0.417 19079 5248 1 8 . 1 1 8 8 HIS N N 8 132.990 132.990 121.870 11.120 19079 5249 1 8 . 1 1 8 8 HIS HA H 8 5.997 5.997 5.544 0.453 19079 5250 1 8 . 1 1 8 8 HIS C C 8 174.184 174.184 175.638 -1.454 19079 5251 1 8 . 1 1 8 8 HIS CA C 8 53.113 53.113 53.175 -0.062 19079 5252 1 8 . 1 1 8 8 HIS CB C 8 33.889 33.889 28.553 5.336 19079 5253 1 8 . 1 1 8 8 HIS H H 8 10.809 10.809 8.249 2.560 19079 5254 1 8 . 1 1 9 9 THR N N 9 118.112 118.112 117.022 1.090 19079 5255 1 8 . 1 1 9 9 THR HA H 9 5.343 5.343 4.494 0.849 19079 5256 1 8 . 1 1 9 9 THR C C 9 175.788 175.788 175.097 0.691 19079 5257 1 8 . 1 1 9 9 THR CA C 9 59.768 59.768 63.126 -3.358 19079 5258 1 8 . 1 1 9 9 THR CB C 9 70.673 70.673 68.833 1.840 19079 5259 1 8 . 1 1 9 9 THR H H 9 9.512 9.512 8.267 1.245 19079 5260 1 8 . 1 1 10 10 GLU N N 10 117.927 117.927 124.313 -6.386 19079 5261 1 8 . 1 1 10 10 GLU HA H 10 4.096 4.096 3.846 0.250 19079 5262 1 8 . 1 1 10 10 GLU C C 10 176.321 176.321 176.228 0.093 19079 5263 1 8 . 1 1 10 10 GLU CA C 10 59.900 59.900 59.513 0.387 19079 5264 1 8 . 1 1 10 10 GLU CB C 10 29.983 29.983 27.780 2.203 19079 5265 1 8 . 1 1 10 10 GLU H H 10 8.812 8.812 8.990 -0.178 19079 5266 1 8 . 1 1 11 11 GLN N N 11 110.877 110.877 119.806 -8.929 19079 5267 1 8 . 1 1 11 11 GLN HA H 11 4.621 4.621 4.736 -0.115 19079 5268 1 8 . 1 1 11 11 GLN C C 11 175.391 175.391 173.610 1.781 19079 5269 1 8 . 1 1 11 11 GLN CA C 11 56.071 56.071 55.164 0.907 19079 5270 1 8 . 1 1 11 11 GLN CB C 11 31.963 31.963 31.652 0.311 19079 5271 1 8 . 1 1 11 11 GLN H H 11 7.797 7.797 8.360 -0.563 19079 5272 1 8 . 1 1 12 12 ALA N N 12 122.143 122.143 123.152 -1.009 19079 5273 1 8 . 1 1 12 12 ALA HA H 12 5.049 5.049 5.328 -0.279 19079 5274 1 8 . 1 1 12 12 ALA C C 12 174.293 174.293 175.476 -1.183 19079 5275 1 8 . 1 1 12 12 ALA CA C 12 51.943 51.943 49.992 1.951 19079 5276 1 8 . 1 1 12 12 ALA CB C 12 23.177 23.177 21.327 1.850 19079 5277 1 8 . 1 1 12 12 ALA H H 12 7.814 7.814 8.152 -0.338 19079 5278 1 8 . 1 1 13 13 ILE N N 13 119.589 119.589 125.110 -5.521 19079 5279 1 8 . 1 1 13 13 ILE HA H 13 5.399 5.399 4.712 0.687 19079 5280 1 8 . 1 1 13 13 ILE C C 13 174.295 174.295 175.260 -0.965 19079 5281 1 8 . 1 1 13 13 ILE CA C 13 60.102 60.102 59.580 0.522 19079 5282 1 8 . 1 1 13 13 ILE CB C 13 41.080 41.080 38.132 2.948 19079 5283 1 8 . 1 1 13 13 ILE H H 13 9.206 9.206 8.343 0.863 19079 5284 1 8 . 1 1 14 14 TYR N N 14 127.337 127.337 130.145 -2.808 19079 5285 1 8 . 1 1 14 14 TYR HA H 14 4.853 4.853 5.092 -0.239 19079 5286 1 8 . 1 1 14 14 TYR C C 14 172.793 172.793 175.186 -2.393 19079 5287 1 8 . 1 1 14 14 TYR CA C 14 56.784 56.784 57.225 -0.441 19079 5288 1 8 . 1 1 14 14 TYR CB C 14 39.797 39.797 39.459 0.339 19079 5289 1 8 . 1 1 14 14 TYR H H 14 9.794 9.794 9.388 0.406 19079 5290 1 8 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.444 -0.072 19079 5291 1 8 . 1 1 15 15 LYS CA C 15 55.924 55.924 54.865 1.059 19079 5292 1 8 . 1 1 15 15 LYS CB C 15 33.563 33.563 35.759 -2.196 19079 5293 1 8 . 1 1 15 15 LYS H H 15 7.550 7.550 8.205 -0.655 19079 5294 1 8 . 1 1 16 16 ASN N N 16 107.943 107.943 119.635 -11.692 19079 5295 1 8 . 1 1 16 16 ASN HA H 16 5.098 5.098 4.999 0.099 19079 5296 1 8 . 1 1 16 16 ASN C C 16 176.475 176.475 176.850 -0.375 19079 5297 1 8 . 1 1 16 16 ASN CA C 16 54.072 54.072 53.135 0.937 19079 5298 1 8 . 1 1 16 16 ASN CB C 16 38.619 38.619 38.285 0.334 19079 5299 1 8 . 1 1 16 16 ASN H H 16 8.156 8.156 8.717 -0.561 19079 5300 1 8 . 1 1 17 17 ALA N N 17 127.319 127.319 128.573 -1.254 19079 5301 1 8 . 1 1 17 17 ALA HA H 17 3.608 3.608 4.316 -0.708 19079 5302 1 8 . 1 1 17 17 ALA C C 17 180.081 180.081 178.483 1.598 19079 5303 1 8 . 1 1 17 17 ALA CA C 17 54.282 54.282 54.265 0.017 19079 5304 1 8 . 1 1 17 17 ALA CB C 17 17.646 17.646 18.693 -1.047 19079 5305 1 8 . 1 1 17 17 ALA H H 17 7.573 7.573 8.186 -0.613 19079 5306 1 8 . 1 1 18 18 HIS N N 18 108.625 108.625 115.496 -6.871 19079 5307 1 8 . 1 1 18 18 HIS HA H 18 4.504 4.504 4.360 0.144 19079 5308 1 8 . 1 1 18 18 HIS C C 18 174.182 174.182 175.903 -1.721 19079 5309 1 8 . 1 1 18 18 HIS CA C 18 57.782 57.782 57.998 -0.216 19079 5310 1 8 . 1 1 18 18 HIS CB C 18 26.798 26.798 29.848 -3.050 19079 5311 1 8 . 1 1 18 18 HIS H H 18 8.118 8.118 8.039 0.079 19079 5312 1 8 . 1 1 19 19 LEU N N 19 117.682 117.682 116.779 0.903 19079 5313 1 8 . 1 1 19 19 LEU HA H 19 4.444 4.444 4.633 -0.189 19079 5314 1 8 . 1 1 19 19 LEU C C 19 175.795 175.795 176.369 -0.574 19079 5315 1 8 . 1 1 19 19 LEU CA C 19 53.309 53.309 54.398 -1.089 19079 5316 1 8 . 1 1 19 19 LEU CB C 19 42.366 42.366 42.670 -0.304 19079 5317 1 8 . 1 1 19 19 LEU H H 19 6.677 6.677 7.699 -1.022 19079 5318 1 8 . 1 1 20 20 THR N N 20 116.187 116.187 108.215 7.972 19079 5319 1 8 . 1 1 20 20 THR HA H 20 4.700 4.700 4.407 0.293 19079 5320 1 8 . 1 1 20 20 THR C C 20 171.105 171.105 174.656 -3.551 19079 5321 1 8 . 1 1 20 20 THR CA C 20 58.570 58.570 62.154 -3.584 19079 5322 1 8 . 1 1 20 20 THR CB C 20 69.724 69.724 70.928 -1.204 19079 5323 1 8 . 1 1 20 20 THR H H 20 7.399 7.399 7.223 0.176 19079 5324 1 8 . 1 1 21 21 THR N N 21 114.194 114.194 120.861 -6.667 19079 5325 1 8 . 1 1 21 21 THR HA H 21 5.124 5.124 3.999 1.125 19079 5326 1 8 . 1 1 21 21 THR CA C 21 58.991 58.991 61.821 -2.829 19079 5327 1 8 . 1 1 21 21 THR CB C 21 71.564 71.564 68.759 2.805 19079 5328 1 8 . 1 1 21 21 THR H H 21 8.410 8.410 8.036 0.374 19079 5329 1 8 . 1 1 22 22 PRO HA H 22 4.432 4.432 4.517 -0.085 19079 5330 1 8 . 1 1 22 22 PRO C C 22 175.895 175.895 176.812 -0.917 19079 5331 1 8 . 1 1 22 22 PRO CA C 22 63.390 63.390 62.480 0.910 19079 5332 1 8 . 1 1 22 22 PRO CB C 22 32.203 32.203 32.287 -0.084 19079 5333 1 8 . 1 1 23 23 ASN N N 23 119.233 119.233 117.900 1.333 19079 5334 1 8 . 1 1 23 23 ASN HA H 23 5.032 5.032 4.514 0.518 19079 5335 1 8 . 1 1 23 23 ASN C C 23 175.963 175.963 175.060 0.903 19079 5336 1 8 . 1 1 23 23 ASN CA C 23 52.452 52.452 53.706 -1.254 19079 5337 1 8 . 1 1 23 23 ASN CB C 23 41.420 41.420 38.681 2.739 19079 5338 1 8 . 1 1 23 23 ASN H H 23 9.227 9.227 8.484 0.743 19079 5339 1 8 . 1 1 24 24 ASP N N 24 119.074 119.074 118.541 0.533 19079 5340 1 8 . 1 1 24 24 ASP HA H 24 4.417 4.417 4.638 -0.221 19079 5341 1 8 . 1 1 24 24 ASP C C 24 176.983 176.983 176.068 0.915 19079 5342 1 8 . 1 1 24 24 ASP CA C 24 56.942 56.942 54.322 2.620 19079 5343 1 8 . 1 1 24 24 ASP CB C 24 40.266 40.266 40.631 -0.365 19079 5344 1 8 . 1 1 24 24 ASP H H 24 8.649 8.649 8.578 0.071 19079 5345 1 8 . 1 1 25 25 GLN N N 25 116.580 116.580 117.387 -0.807 19079 5346 1 8 . 1 1 25 25 GLN HA H 25 4.425 4.425 4.434 -0.009 19079 5347 1 8 . 1 1 25 25 GLN C C 25 177.373 177.373 175.574 1.799 19079 5348 1 8 . 1 1 25 25 GLN CA C 25 55.419 55.419 55.674 -0.255 19079 5349 1 8 . 1 1 25 25 GLN CB C 25 28.933 28.933 28.816 0.117 19079 5350 1 8 . 1 1 25 25 GLN H H 25 9.028 9.028 8.328 0.700 19079 5351 1 8 . 1 1 26 26 THR N N 26 122.196 122.196 110.011 12.185 19079 5352 1 8 . 1 1 26 26 THR HA H 26 4.779 4.779 4.367 0.412 19079 5353 1 8 . 1 1 26 26 THR C C 26 174.583 174.583 174.272 0.311 19079 5354 1 8 . 1 1 26 26 THR CA C 26 65.218 65.218 61.477 3.740 19079 5355 1 8 . 1 1 26 26 THR CB C 26 68.963 68.963 69.987 -1.024 19079 5356 1 8 . 1 1 26 26 THR H H 26 7.692 7.692 7.455 0.237 19079 5357 1 8 . 1 1 27 27 ILE N N 27 129.367 129.367 118.422 10.945 19079 5358 1 8 . 1 1 27 27 ILE HA H 27 4.112 4.112 4.294 -0.182 19079 5359 1 8 . 1 1 27 27 ILE C C 27 175.734 175.734 175.098 0.636 19079 5360 1 8 . 1 1 27 27 ILE CA C 27 62.558 62.558 62.034 0.524 19079 5361 1 8 . 1 1 27 27 ILE CB C 27 40.357 40.357 39.588 0.769 19079 5362 1 8 . 1 1 27 27 ILE H H 27 9.785 9.785 8.144 1.641 19079 5363 1 8 . 1 1 28 28 LEU N N 28 120.773 120.773 121.200 -0.427 19079 5364 1 8 . 1 1 28 28 LEU HA H 28 4.506 4.506 4.692 -0.186 19079 5365 1 8 . 1 1 28 28 LEU C C 28 173.083 173.083 174.824 -1.741 19079 5366 1 8 . 1 1 28 28 LEU CA C 28 55.337 55.337 54.363 0.974 19079 5367 1 8 . 1 1 28 28 LEU CB C 28 45.942 45.942 44.382 1.560 19079 5368 1 8 . 1 1 28 28 LEU H H 28 7.814 7.814 7.662 0.152 19079 5369 1 8 . 1 1 29 29 LEU N N 29 128.285 128.285 122.898 5.387 19079 5370 1 8 . 1 1 29 29 LEU HA H 29 4.798 4.798 4.763 0.035 19079 5371 1 8 . 1 1 29 29 LEU C C 29 174.589 174.589 175.399 -0.810 19079 5372 1 8 . 1 1 29 29 LEU CA C 29 54.133 54.133 53.884 0.249 19079 5373 1 8 . 1 1 29 29 LEU CB C 29 43.909 43.909 44.978 -1.069 19079 5374 1 8 . 1 1 29 29 LEU H H 29 8.653 8.653 8.161 0.492 19079 5375 1 8 . 1 1 30 30 ALA N N 30 132.532 132.532 125.476 7.056 19079 5376 1 8 . 1 1 30 30 ALA HA H 30 4.995 4.995 4.924 0.071 19079 5377 1 8 . 1 1 30 30 ALA C C 30 177.994 177.994 177.742 0.252 19079 5378 1 8 . 1 1 30 30 ALA CA C 30 49.621 49.621 50.414 -0.793 19079 5379 1 8 . 1 1 30 30 ALA CB C 30 18.022 18.022 18.973 -0.951 19079 5380 1 8 . 1 1 30 30 ALA H H 30 9.179 9.179 8.897 0.282 19079 5381 1 8 . 1 1 31 31 LEU N N 31 126.651 126.651 121.675 4.976 19079 5382 1 8 . 1 1 31 31 LEU HA H 31 4.619 4.619 4.021 0.598 19079 5383 1 8 . 1 1 31 31 LEU CA C 31 59.032 59.032 57.803 1.229 19079 5384 1 8 . 1 1 31 31 LEU CB C 31 41.356 41.356 40.958 0.398 19079 5385 1 8 . 1 1 31 31 LEU H H 31 8.828 8.828 8.451 0.377 19079 5386 1 8 . 1 1 32 32 THR HA H 32 4.283 4.283 4.035 0.248 19079 5387 1 8 . 1 1 32 32 THR C C 32 173.341 173.341 175.033 -1.692 19079 5388 1 8 . 1 1 32 32 THR CA C 32 63.443 63.443 64.768 -1.325 19079 5389 1 8 . 1 1 32 32 THR CB C 32 68.639 68.639 67.966 0.673 19079 5390 1 8 . 1 1 32 32 THR H H 32 8.105 8.105 8.080 0.025 19079 5391 1 8 . 1 1 33 33 ALA N N 33 122.960 122.960 120.079 2.881 19079 5392 1 8 . 1 1 33 33 ALA HA H 33 5.301 5.301 4.721 0.580 19079 5393 1 8 . 1 1 33 33 ALA C C 33 175.467 175.467 176.242 -0.775 19079 5394 1 8 . 1 1 33 33 ALA CA C 33 50.782 50.782 50.614 0.168 19079 5395 1 8 . 1 1 33 33 ALA CB C 33 20.256 20.256 20.085 0.171 19079 5396 1 8 . 1 1 33 33 ALA H H 33 7.328 7.328 7.861 -0.533 19079 5397 1 8 . 1 1 34 34 ASP N N 34 115.713 115.713 116.228 -0.515 19079 5398 1 8 . 1 1 34 34 ASP HA H 34 4.194 4.194 4.240 -0.046 19079 5399 1 8 . 1 1 34 34 ASP C C 34 175.750 175.750 174.539 1.211 19079 5400 1 8 . 1 1 34 34 ASP CA C 34 55.269 55.269 55.454 -0.185 19079 5401 1 8 . 1 1 34 34 ASP CB C 34 40.525 40.525 39.235 1.290 19079 5402 1 8 . 1 1 34 34 ASP H H 34 7.927 7.927 8.108 -0.181 19079 5403 1 8 . 1 1 35 35 LEU N N 35 119.485 119.485 118.389 1.096 19079 5404 1 8 . 1 1 35 35 LEU HA H 35 5.102 5.102 5.005 0.097 19079 5405 1 8 . 1 1 35 35 LEU C C 35 173.060 173.060 174.148 -1.088 19079 5406 1 8 . 1 1 35 35 LEU CA C 35 54.268 54.268 53.550 0.718 19079 5407 1 8 . 1 1 35 35 LEU CB C 35 47.326 47.326 46.668 0.658 19079 5408 1 8 . 1 1 35 35 LEU H H 35 7.820 7.820 7.367 0.453 19079 5409 1 8 . 1 1 36 36 GLN N N 36 127.748 127.748 120.493 7.255 19079 5410 1 8 . 1 1 36 36 GLN HA H 36 4.790 4.790 4.743 0.047 19079 5411 1 8 . 1 1 36 36 GLN C C 36 173.161 173.161 173.658 -0.497 19079 5412 1 8 . 1 1 36 36 GLN CA C 36 55.286 55.286 53.586 1.700 19079 5413 1 8 . 1 1 36 36 GLN CB C 36 32.594 32.594 32.908 -0.314 19079 5414 1 8 . 1 1 36 36 GLN H H 36 9.050 9.050 8.808 0.242 19079 5415 1 8 . 1 1 37 37 ILE N N 37 125.606 125.606 120.908 4.698 19079 5416 1 8 . 1 1 37 37 ILE HA H 37 4.807 4.807 4.740 0.067 19079 5417 1 8 . 1 1 37 37 ILE C C 37 174.921 174.921 174.588 0.333 19079 5418 1 8 . 1 1 37 37 ILE CA C 37 59.869 59.869 59.681 0.188 19079 5419 1 8 . 1 1 37 37 ILE CB C 37 39.750 39.750 40.250 -0.500 19079 5420 1 8 . 1 1 37 37 ILE H H 37 8.828 8.828 8.089 0.739 19079 5421 1 8 . 1 1 38 38 ASP N N 38 128.163 128.163 124.599 3.564 19079 5422 1 8 . 1 1 38 38 ASP HA H 38 5.259 5.259 4.935 0.324 19079 5423 1 8 . 1 1 38 38 ASP C C 38 176.122 176.122 174.923 1.199 19079 5424 1 8 . 1 1 38 38 ASP CA C 38 52.316 52.316 51.898 0.418 19079 5425 1 8 . 1 1 38 38 ASP CB C 38 43.251 43.251 45.172 -1.921 19079 5426 1 8 . 1 1 38 38 ASP H H 38 9.226 9.226 8.160 1.066 19079 5427 1 8 . 1 1 39 39 GLY N N 39 107.273 107.273 106.433 0.840 19079 5428 1 8 . 1 1 39 39 GLY C C 39 171.808 171.808 172.933 -1.125 19079 5429 1 8 . 1 1 39 39 GLY CA C 39 45.108 45.108 44.409 0.699 19079 5430 1 8 . 1 1 39 39 GLY H H 39 8.682 8.682 8.464 0.218 19079 5431 1 8 . 1 1 40 40 CYS N N 40 114.602 114.602 118.633 -4.031 19079 5432 1 8 . 1 1 40 40 CYS HA H 40 4.832 4.832 4.528 0.304 19079 5433 1 8 . 1 1 40 40 CYS CA C 40 55.517 55.517 58.740 -3.223 19079 5434 1 8 . 1 1 40 40 CYS CB C 40 30.872 30.872 30.710 0.162 19079 5435 1 8 . 1 1 40 40 CYS H H 40 7.784 7.784 8.098 -0.314 19079 5436 1 8 . 1 1 41 41 ASP N N 41 121.388 121.388 123.617 -2.229 19079 5437 1 8 . 1 1 41 41 ASP HA H 41 4.618 4.618 4.718 -0.100 19079 5438 1 8 . 1 1 41 41 ASP CA C 41 54.808 54.808 54.468 0.340 19079 5439 1 8 . 1 1 41 41 ASP CB C 41 41.299 41.299 40.952 0.347 19079 5440 1 8 . 1 1 41 41 ASP H H 41 8.496 8.496 8.451 0.045 19079 5441 1 8 . 1 1 42 42 GLN N N 42 118.506 118.506 119.412 -0.906 19079 5442 1 8 . 1 1 42 42 GLN HA H 42 4.900 4.900 4.536 0.364 19079 5443 1 8 . 1 1 42 42 GLN CA C 42 52.529 52.529 52.842 -0.313 19079 5444 1 8 . 1 1 42 42 GLN CB C 42 30.580 30.580 28.672 1.908 19079 5445 1 8 . 1 1 42 42 GLN H H 42 7.592 7.592 7.726 -0.134 19079 5446 1 8 . 1 1 43 43 PRO HA H 43 4.438 4.438 4.473 -0.035 19079 5447 1 8 . 1 1 43 43 PRO CA C 43 63.283 63.283 62.751 0.533 19079 5448 1 8 . 1 1 43 43 PRO CB C 43 32.178 32.178 32.519 -0.341 19079 5449 1 8 . 1 1 44 44 GLY N N 44 109.062 109.062 110.389 -1.327 19079 5450 1 8 . 1 1 44 44 GLY CA C 44 45.265 45.265 43.609 1.656 19079 5451 1 8 . 1 1 44 44 GLY H H 44 8.249 8.249 8.079 0.170 19079 5452 1 8 . 1 1 45 45 PRO HA H 45 4.535 4.535 4.376 0.159 19079 5453 1 8 . 1 1 45 45 PRO CA C 45 63.511 63.511 63.490 0.021 19079 5454 1 8 . 1 1 45 45 PRO CB C 45 33.193 33.193 31.908 1.285 19079 5455 1 8 . 1 1 46 46 ASP N N 46 121.254 121.254 121.349 -0.095 19079 5456 1 8 . 1 1 46 46 ASP HA H 46 4.784 4.784 4.418 0.366 19079 5457 1 8 . 1 1 46 46 ASP C C 46 174.555 174.555 174.987 -0.432 19079 5458 1 8 . 1 1 46 46 ASP CA C 46 55.268 55.268 55.695 -0.427 19079 5459 1 8 . 1 1 46 46 ASP CB C 46 43.360 43.360 39.993 3.367 19079 5460 1 8 . 1 1 46 46 ASP H H 46 8.533 8.533 8.213 0.320 19079 5461 1 8 . 1 1 47 47 ASN N N 47 118.452 118.452 120.586 -2.134 19079 5462 1 8 . 1 1 47 47 ASN HA H 47 4.912 4.912 4.875 0.037 19079 5463 1 8 . 1 1 47 47 ASN C C 47 172.394 172.394 174.297 -1.903 19079 5464 1 8 . 1 1 47 47 ASN CA C 47 52.877 52.877 52.013 0.864 19079 5465 1 8 . 1 1 47 47 ASN CB C 47 42.185 42.185 40.611 1.574 19079 5466 1 8 . 1 1 47 47 ASN H H 47 8.668 8.668 8.123 0.545 19079 5467 1 8 . 1 1 48 48 ILE N N 48 126.910 126.910 124.934 1.976 19079 5468 1 8 . 1 1 48 48 ILE HA H 48 5.269 5.269 3.978 1.291 19079 5469 1 8 . 1 1 48 48 ILE CA C 48 57.457 57.457 61.168 -3.711 19079 5470 1 8 . 1 1 48 48 ILE CB C 48 39.411 39.411 37.459 1.952 19079 5471 1 8 . 1 1 48 48 ILE H H 48 8.377 8.377 8.341 0.036 19079 5472 1 8 . 1 1 49 49 PRO HA H 49 4.571 4.571 4.463 0.108 19079 5473 1 8 . 1 1 49 49 PRO CA C 49 62.019 62.019 62.525 -0.506 19079 5474 1 8 . 1 1 49 49 PRO CB C 49 34.068 34.068 32.624 1.444 19079 5475 1 8 . 1 1 50 50 ASP N N 50 117.512 117.512 117.072 0.440 19079 5476 1 8 . 1 1 50 50 ASP HA H 50 4.847 4.847 4.882 -0.035 19079 5477 1 8 . 1 1 50 50 ASP C C 50 175.105 175.105 175.457 -0.352 19079 5478 1 8 . 1 1 50 50 ASP CA C 50 52.186 52.186 53.828 -1.641 19079 5479 1 8 . 1 1 50 50 ASP CB C 50 40.206 40.206 40.718 -0.512 19079 5480 1 8 . 1 1 50 50 ASP H H 50 7.928 7.928 8.652 -0.724 19079 5481 1 8 . 1 1 51 51 CYS N N 51 117.841 117.841 119.217 -1.376 19079 5482 1 8 . 1 1 51 51 CYS HA H 51 4.645 4.645 4.765 -0.120 19079 5483 1 8 . 1 1 51 51 CYS C C 51 173.952 173.952 173.313 0.639 19079 5484 1 8 . 1 1 51 51 CYS CA C 51 57.079 57.079 58.452 -1.373 19079 5485 1 8 . 1 1 51 51 CYS CB C 51 31.834 31.834 30.090 1.744 19079 5486 1 8 . 1 1 51 51 CYS H H 51 6.998 6.998 7.998 -1.000 19079 5487 1 8 . 1 1 52 52 ASP N N 52 113.831 113.831 124.124 -10.293 19079 5488 1 8 . 1 1 52 52 ASP HA H 52 4.790 4.790 4.718 0.072 19079 5489 1 8 . 1 1 52 52 ASP C C 52 177.522 177.522 175.405 2.117 19079 5490 1 8 . 1 1 52 52 ASP CA C 52 52.266 52.266 52.266 0.000 19079 5491 1 8 . 1 1 52 52 ASP CB C 52 41.108 41.108 38.693 2.415 19079 5492 1 8 . 1 1 52 52 ASP H H 52 7.839 7.839 8.502 -0.663 19079 5493 1 8 . 1 1 53 53 CYS N N 53 120.924 120.924 119.913 1.011 19079 5494 1 8 . 1 1 53 53 CYS HA H 53 4.176 4.176 4.249 -0.073 19079 5495 1 8 . 1 1 53 53 CYS C C 53 177.320 177.320 176.316 1.004 19079 5496 1 8 . 1 1 53 53 CYS CA C 53 62.456 62.456 59.717 2.739 19079 5497 1 8 . 1 1 53 53 CYS CB C 53 31.077 31.077 27.712 3.365 19079 5498 1 8 . 1 1 53 53 CYS H H 53 8.180 8.180 8.446 -0.266 19079 5499 1 8 . 1 1 54 54 THR N N 54 108.381 108.381 112.827 -4.446 19079 5500 1 8 . 1 1 54 54 THR HA H 54 4.168 4.168 4.320 -0.152 19079 5501 1 8 . 1 1 54 54 THR C C 54 172.044 172.044 174.931 -2.887 19079 5502 1 8 . 1 1 54 54 THR CA C 54 60.645 60.645 63.541 -2.896 19079 5503 1 8 . 1 1 54 54 THR CB C 54 69.425 69.425 69.487 -0.062 19079 5504 1 8 . 1 1 54 54 THR H H 54 8.728 8.728 8.112 0.616 19079 5505 1 8 . 1 1 55 55 SER N N 55 114.465 114.465 120.482 -6.017 19079 5506 1 8 . 1 1 55 55 SER HA H 55 4.906 4.906 4.491 0.415 19079 5507 1 8 . 1 1 55 55 SER C C 55 172.897 172.897 174.631 -1.734 19079 5508 1 8 . 1 1 55 55 SER CA C 55 56.279 56.279 58.348 -2.069 19079 5509 1 8 . 1 1 55 55 SER CB C 55 66.156 66.156 63.211 2.946 19079 5510 1 8 . 1 1 55 55 SER H H 55 7.433 7.433 8.090 -0.657 19079 5511 1 8 . 1 1 56 56 GLY N N 56 106.492 106.492 112.813 -6.321 19079 5512 1 8 . 1 1 56 56 GLY C C 56 172.400 172.400 172.341 0.059 19079 5513 1 8 . 1 1 56 56 GLY CA C 56 46.778 46.778 44.204 2.574 19079 5514 1 8 . 1 1 56 56 GLY H H 56 8.431 8.431 8.374 0.057 19079 5515 1 8 . 1 1 57 57 CYS N N 57 123.907 123.907 117.272 6.635 19079 5516 1 8 . 1 1 57 57 CYS HA H 57 5.755 5.755 5.699 0.056 19079 5517 1 8 . 1 1 57 57 CYS C C 57 171.012 171.012 173.076 -2.064 19079 5518 1 8 . 1 1 57 57 CYS CA C 57 54.317 54.317 56.816 -2.498 19079 5519 1 8 . 1 1 57 57 CYS CB C 57 32.040 32.040 30.520 1.520 19079 5520 1 8 . 1 1 57 57 CYS H H 57 9.782 9.782 8.644 1.138 19079 5521 1 8 . 1 1 58 58 TYR N N 58 121.251 121.251 122.106 -0.855 19079 5522 1 8 . 1 1 58 58 TYR HA H 58 6.413 6.413 5.672 0.741 19079 5523 1 8 . 1 1 58 58 TYR C C 58 172.177 172.177 173.534 -1.357 19079 5524 1 8 . 1 1 58 58 TYR CA C 58 54.179 54.179 54.299 -0.120 19079 5525 1 8 . 1 1 58 58 TYR CB C 58 44.751 44.751 41.707 3.044 19079 5526 1 8 . 1 1 58 58 TYR H H 58 9.324 9.324 8.939 0.385 19079 5527 1 8 . 1 1 59 59 TYR N N 59 119.921 119.921 125.322 -5.401 19079 5528 1 8 . 1 1 59 59 TYR HA H 59 3.155 3.155 3.545 -0.390 19079 5529 1 8 . 1 1 59 59 TYR C C 59 173.490 173.490 174.236 -0.746 19079 5530 1 8 . 1 1 59 59 TYR CA C 59 56.439 56.439 57.364 -0.925 19079 5531 1 8 . 1 1 59 59 TYR CB C 59 38.280 38.280 37.321 0.959 19079 5532 1 8 . 1 1 59 59 TYR H H 59 7.851 7.851 7.638 0.213 19079 5533 1 8 . 1 1 60 60 SER N N 60 122.333 122.333 122.175 0.158 19079 5534 1 8 . 1 1 60 60 SER HA H 60 4.286 4.286 4.456 -0.170 19079 5535 1 8 . 1 1 60 60 SER C C 60 174.282 174.282 175.146 -0.864 19079 5536 1 8 . 1 1 60 60 SER CA C 60 54.201 54.201 56.971 -2.770 19079 5537 1 8 . 1 1 60 60 SER CB C 60 63.429 63.429 63.718 -0.289 19079 5538 1 8 . 1 1 60 60 SER H H 60 7.184 7.184 7.986 -0.802 19079 5539 1 8 . 1 1 61 61 ARG N N 61 131.876 131.876 129.766 2.110 19079 5540 1 8 . 1 1 61 61 ARG HA H 61 3.755 3.755 4.286 -0.531 19079 5541 1 8 . 1 1 61 61 ARG C C 61 179.454 179.454 177.408 2.046 19079 5542 1 8 . 1 1 61 61 ARG CA C 61 58.733 58.733 58.360 0.373 19079 5543 1 8 . 1 1 61 61 ARG CB C 61 29.216 29.216 30.630 -1.414 19079 5544 1 8 . 1 1 61 61 ARG H H 61 9.058 9.058 9.533 -0.475 19079 5545 1 8 . 1 1 62 62 SER N N 62 115.806 115.806 114.589 1.217 19079 5546 1 8 . 1 1 62 62 SER HA H 62 4.021 4.021 4.297 -0.276 19079 5547 1 8 . 1 1 62 62 SER C C 62 177.405 177.405 175.280 2.125 19079 5548 1 8 . 1 1 62 62 SER CA C 62 60.787 60.787 61.026 -0.239 19079 5549 1 8 . 1 1 62 62 SER CB C 62 60.994 60.994 63.355 -2.361 19079 5550 1 8 . 1 1 62 62 SER H H 62 8.933 8.933 8.459 0.474 19079 5551 1 8 . 1 1 63 63 LEU N N 63 120.142 120.142 119.501 0.641 19079 5552 1 8 . 1 1 63 63 LEU HA H 63 4.315 4.315 4.566 -0.251 19079 5553 1 8 . 1 1 63 63 LEU C C 63 175.462 175.462 176.389 -0.927 19079 5554 1 8 . 1 1 63 63 LEU CA C 63 54.589 54.589 53.882 0.707 19079 5555 1 8 . 1 1 63 63 LEU CB C 63 41.583 41.583 41.794 -0.211 19079 5556 1 8 . 1 1 63 63 LEU H H 63 7.372 7.372 7.121 0.251 19079 5557 1 8 . 1 1 64 64 ASP N N 64 124.723 124.723 119.502 5.221 19079 5558 1 8 . 1 1 64 64 ASP HA H 64 4.308 4.308 4.216 0.092 19079 5559 1 8 . 1 1 64 64 ASP C C 64 174.405 174.405 174.427 -0.022 19079 5560 1 8 . 1 1 64 64 ASP CA C 64 54.269 54.269 55.169 -0.900 19079 5561 1 8 . 1 1 64 64 ASP CB C 64 39.892 39.892 39.994 -0.102 19079 5562 1 8 . 1 1 64 64 ASP H H 64 8.122 8.122 7.762 0.360 19079 5563 1 8 . 1 1 65 65 ARG N N 65 111.932 111.932 113.264 -1.332 19079 5564 1 8 . 1 1 65 65 ARG HA H 65 4.648 4.648 4.017 0.631 19079 5565 1 8 . 1 1 65 65 ARG C C 65 172.842 172.842 173.864 -1.022 19079 5566 1 8 . 1 1 65 65 ARG CA C 65 54.327 54.327 54.458 -0.131 19079 5567 1 8 . 1 1 65 65 ARG CB C 65 33.013 33.013 31.358 1.655 19079 5568 1 8 . 1 1 65 65 ARG H H 65 7.434 7.434 7.538 -0.104 19079 5569 1 8 . 1 1 66 66 TYR N N 66 121.286 121.286 121.900 -0.614 19079 5570 1 8 . 1 1 66 66 TYR HA H 66 4.821 4.821 4.619 0.202 19079 5571 1 8 . 1 1 66 66 TYR C C 66 176.123 176.123 176.371 -0.248 19079 5572 1 8 . 1 1 66 66 TYR CA C 66 56.752 56.752 59.276 -2.524 19079 5573 1 8 . 1 1 66 66 TYR CB C 66 41.877 41.877 39.150 2.727 19079 5574 1 8 . 1 1 66 66 TYR H H 66 8.068 8.068 8.450 -0.382 19079 5575 1 8 . 1 1 67 67 ILE N N 67 119.080 119.080 119.595 -0.515 19079 5576 1 8 . 1 1 67 67 ILE HA H 67 4.620 4.620 4.806 -0.186 19079 5577 1 8 . 1 1 67 67 ILE CA C 67 57.840 57.840 57.196 0.644 19079 5578 1 8 . 1 1 67 67 ILE CB C 67 41.191 41.191 41.506 -0.315 19079 5579 1 8 . 1 1 67 67 ILE H H 67 8.640 8.640 8.619 0.021 19079 5580 1 8 . 1 1 68 68 PRO HA H 68 4.772 4.772 4.997 -0.225 19079 5581 1 8 . 1 1 68 68 PRO CA C 68 62.709 62.709 62.742 -0.033 19079 5582 1 8 . 1 1 68 68 PRO CB C 68 32.923 32.923 31.314 1.609 19079 5583 1 8 . 1 1 69 69 VAL N N 69 120.668 120.668 117.089 3.579 19079 5584 1 8 . 1 1 69 69 VAL HA H 69 4.764 4.764 4.638 0.126 19079 5585 1 8 . 1 1 69 69 VAL C C 69 171.299 171.299 173.870 -2.571 19079 5586 1 8 . 1 1 69 69 VAL CA C 69 60.758 60.758 59.301 1.457 19079 5587 1 8 . 1 1 69 69 VAL CB C 69 36.158 36.158 36.030 0.128 19079 5588 1 8 . 1 1 69 69 VAL H H 69 8.866 8.866 8.713 0.153 19079 5589 1 8 . 1 1 70 70 GLU N N 70 127.352 127.352 121.366 5.986 19079 5590 1 8 . 1 1 70 70 GLU HA H 70 4.694 4.694 4.656 0.038 19079 5591 1 8 . 1 1 70 70 GLU C C 70 176.084 176.084 175.498 0.586 19079 5592 1 8 . 1 1 70 70 GLU CA C 70 55.438 55.438 54.940 0.498 19079 5593 1 8 . 1 1 70 70 GLU CB C 70 31.941 31.941 31.427 0.514 19079 5594 1 8 . 1 1 70 70 GLU H H 70 8.303 8.303 8.625 -0.322 19079 5595 1 8 . 1 1 71 71 CYS N N 71 118.985 118.985 123.227 -4.242 19079 5596 1 8 . 1 1 71 71 CYS HA H 71 5.283 5.283 5.287 -0.004 19079 5597 1 8 . 1 1 71 71 CYS C C 71 173.987 173.987 173.764 0.223 19079 5598 1 8 . 1 1 71 71 CYS CA C 71 56.927 56.927 55.868 1.059 19079 5599 1 8 . 1 1 71 71 CYS CB C 71 32.056 32.056 32.051 0.005 19079 5600 1 8 . 1 1 71 71 CYS H H 71 8.044 8.044 8.294 -0.250 19079 5601 1 8 . 1 1 72 72 GLU N N 72 119.188 119.188 118.470 0.718 19079 5602 1 8 . 1 1 72 72 GLU HA H 72 4.550 4.550 4.516 0.034 19079 5603 1 8 . 1 1 72 72 GLU C C 72 175.540 175.540 175.402 0.138 19079 5604 1 8 . 1 1 72 72 GLU CA C 72 54.422 54.422 54.332 0.090 19079 5605 1 8 . 1 1 72 72 GLU CB C 72 32.723 32.723 30.741 1.982 19079 5606 1 8 . 1 1 72 72 GLU H H 72 8.651 8.651 8.518 0.133 19079 5607 1 8 . 1 1 73 73 ALA N N 73 128.127 128.127 128.801 -0.674 19079 5608 1 8 . 1 1 73 73 ALA HA H 73 4.894 4.894 4.486 0.408 19079 5609 1 8 . 1 1 73 73 ALA C C 73 177.065 177.065 176.377 0.688 19079 5610 1 8 . 1 1 73 73 ALA CA C 73 51.934 51.934 51.716 0.218 19079 5611 1 8 . 1 1 73 73 ALA CB C 73 19.744 19.744 18.814 0.930 19079 5612 1 8 . 1 1 73 73 ALA H H 73 8.825 8.825 8.680 0.145 19079 5613 1 8 . 1 1 74 74 HIS N N 74 120.049 120.049 125.437 -5.388 19079 5614 1 8 . 1 1 74 74 HIS HA H 74 4.730 4.730 4.428 0.302 19079 5615 1 8 . 1 1 74 74 HIS C C 74 173.973 173.973 175.487 -1.514 19079 5616 1 8 . 1 1 74 74 HIS CA C 74 54.940 54.940 55.528 -0.588 19079 5617 1 8 . 1 1 74 74 HIS CB C 74 32.641 32.641 32.198 0.443 19079 5618 1 8 . 1 1 74 74 HIS H H 74 8.813 8.813 8.810 0.003 19079 5619 1 8 . 1 1 75 75 ASP N N 75 125.469 125.469 125.188 0.281 19079 5620 1 8 . 1 1 75 75 ASP HA H 75 4.619 4.619 4.391 0.228 19079 5621 1 8 . 1 1 75 75 ASP CA C 75 57.576 57.576 57.230 0.346 19079 5622 1 8 . 1 1 75 75 ASP CB C 75 42.215 42.215 41.490 0.724 19079 5623 1 8 . 1 1 75 75 ASP H H 75 8.951 8.951 8.762 0.189 19079 5624 1 8 . 1 1 76 76 TRP N N 76 113.768 113.768 113.163 0.605 19079 5625 1 8 . 1 1 76 76 TRP HA H 76 5.455 5.455 5.110 0.345 19079 5626 1 8 . 1 1 76 76 TRP CA C 76 54.833 54.833 55.630 -0.797 19079 5627 1 8 . 1 1 76 76 TRP CB C 76 31.701 31.701 31.142 0.559 19079 5628 1 8 . 1 1 76 76 TRP H H 76 7.574 7.574 6.842 0.732 19079 5629 1 8 . 1 1 77 77 TYR N N 77 122.650 122.650 118.599 4.051 19079 5630 1 8 . 1 1 77 77 TYR CA C 77 57.248 57.248 56.981 0.267 19079 5631 1 8 . 1 1 77 77 TYR CB C 77 33.700 33.700 41.006 -7.306 19079 5632 1 8 . 1 1 77 77 TYR H H 77 8.981 8.981 8.074 0.907 19079 5633 1 8 . 1 1 78 78 PRO HA H 78 4.493 4.493 4.761 -0.268 19079 5634 1 8 . 1 1 78 78 PRO CA C 78 62.242 62.242 62.729 -0.487 19079 5635 1 8 . 1 1 78 78 PRO CB C 78 31.237 31.237 32.025 -0.788 19079 5636 1 8 . 1 1 79 79 VAL N N 79 123.871 123.871 124.727 -0.856 19079 5637 1 8 . 1 1 79 79 VAL HA H 79 3.953 3.953 4.405 -0.452 19079 5638 1 8 . 1 1 79 79 VAL C C 79 174.991 174.991 174.347 0.644 19079 5639 1 8 . 1 1 79 79 VAL CA C 79 61.545 61.545 59.433 2.112 19079 5640 1 8 . 1 1 79 79 VAL CB C 79 33.090 33.090 34.977 -1.887 19079 5641 1 8 . 1 1 79 79 VAL H H 79 8.512 8.512 9.030 -0.518 19079 5642 1 8 . 1 1 80 80 GLU N N 80 124.050 124.050 128.430 -4.380 19079 5643 1 8 . 1 1 80 80 GLU HA H 80 4.072 4.072 4.210 -0.138 19079 5644 1 8 . 1 1 80 80 GLU C C 80 175.607 175.607 175.348 0.259 19079 5645 1 8 . 1 1 80 80 GLU CA C 80 56.291 56.291 56.874 -0.583 19079 5646 1 8 . 1 1 80 80 GLU CB C 80 30.272 30.272 30.202 0.070 19079 5647 1 8 . 1 1 80 80 GLU H H 80 8.068 8.068 8.566 -0.498 19079 5648 1 8 . 1 1 81 81 GLU N N 81 120.701 120.701 120.561 0.140 19079 5649 1 8 . 1 1 81 81 GLU HA H 81 4.194 4.194 4.222 -0.028 19079 5650 1 8 . 1 1 81 81 GLU C C 81 175.817 175.817 176.308 -0.491 19079 5651 1 8 . 1 1 81 81 GLU CA C 81 57.390 57.390 57.640 -0.250 19079 5652 1 8 . 1 1 81 81 GLU CB C 81 30.713 30.713 29.492 1.221 19079 5653 1 8 . 1 1 81 81 GLU H H 81 8.751 8.751 8.556 0.195 19079 5654 1 8 . 1 1 82 82 THR N N 82 115.162 115.162 121.194 -6.032 19079 5655 1 8 . 1 1 82 82 THR HA H 82 4.688 4.688 4.477 0.211 19079 5656 1 8 . 1 1 82 82 THR CA C 82 60.041 60.041 61.480 -1.440 19079 5657 1 8 . 1 1 82 82 THR CB C 82 73.866 73.866 68.842 5.024 19079 5658 1 8 . 1 1 82 82 THR H H 82 8.631 8.631 8.310 0.321 19079 5659 1 8 . 1 1 83 83 GLN N N 83 116.650 116.650 120.061 -3.411 19079 5660 1 8 . 1 1 83 83 GLN HA H 83 4.629 4.629 3.690 0.939 19079 5661 1 8 . 1 1 83 83 GLN CA C 83 57.643 57.643 58.953 -1.310 19079 5662 1 8 . 1 1 83 83 GLN CB C 83 30.537 30.537 26.953 3.584 19079 5663 1 8 . 1 1 83 83 GLN H H 83 8.714 8.714 8.240 0.474 19079 5664 1 8 . 1 1 86 86 PRO HA H 86 4.779 4.779 4.473 0.306 19079 5665 1 8 . 1 1 86 86 PRO CA C 86 62.018 62.018 62.053 -0.035 19079 5666 1 8 . 1 1 86 86 PRO CB C 86 32.818 32.818 33.199 -0.381 19079 5667 1 8 . 1 1 87 87 LYS N N 87 123.136 123.136 121.605 1.531 19079 5668 1 8 . 1 1 87 87 LYS HA H 87 4.545 4.545 4.285 0.260 19079 5669 1 8 . 1 1 87 87 LYS C C 87 176.411 176.411 176.563 -0.152 19079 5670 1 8 . 1 1 87 87 LYS CA C 87 57.800 57.800 57.728 0.072 19079 5671 1 8 . 1 1 87 87 LYS CB C 87 32.322 32.322 31.658 0.664 19079 5672 1 8 . 1 1 87 87 LYS H H 87 8.936 8.936 8.350 0.586 19079 5673 1 8 . 1 1 88 88 HIS N N 88 119.788 119.788 123.388 -3.600 19079 5674 1 8 . 1 1 88 88 HIS HA H 88 4.973 4.973 4.644 0.329 19079 5675 1 8 . 1 1 88 88 HIS C C 88 171.431 171.431 173.074 -1.643 19079 5676 1 8 . 1 1 88 88 HIS CA C 88 55.171 55.171 56.339 -1.168 19079 5677 1 8 . 1 1 88 88 HIS CB C 88 29.695 29.695 33.200 -3.505 19079 5678 1 8 . 1 1 88 88 HIS H H 88 8.490 8.490 8.262 0.228 19079 5679 1 8 . 1 1 89 89 ILE N N 89 120.371 120.371 120.570 -0.199 19079 5680 1 8 . 1 1 89 89 ILE HA H 89 4.453 4.453 4.759 -0.306 19079 5681 1 8 . 1 1 89 89 ILE C C 89 176.167 176.167 175.048 1.119 19079 5682 1 8 . 1 1 89 89 ILE CA C 89 60.066 60.066 60.175 -0.109 19079 5683 1 8 . 1 1 89 89 ILE CB C 89 38.855 38.855 39.965 -1.110 19079 5684 1 8 . 1 1 89 89 ILE H H 89 8.417 8.417 8.300 0.117 19079 5685 1 8 . 1 1 90 90 GLN N N 90 122.913 122.913 127.260 -4.347 19079 5686 1 8 . 1 1 90 90 GLN HA H 90 5.313 5.313 4.889 0.424 19079 5687 1 8 . 1 1 90 90 GLN CA C 90 54.194 54.194 53.730 0.464 19079 5688 1 8 . 1 1 90 90 GLN CB C 90 32.780 32.780 31.017 1.763 19079 5689 1 8 . 1 1 90 90 GLN H H 90 8.286 8.286 8.420 -0.134 19079 5690 1 8 . 1 1 91 91 TYR N N 91 117.779 117.779 122.278 -4.499 19079 5691 1 8 . 1 1 91 91 TYR HA H 91 5.394 5.394 4.792 0.602 19079 5692 1 8 . 1 1 91 91 TYR C C 91 175.762 175.762 176.172 -0.410 19079 5693 1 8 . 1 1 91 91 TYR CA C 91 56.672 56.672 57.977 -1.306 19079 5694 1 8 . 1 1 91 91 TYR CB C 91 41.701 41.701 40.115 1.586 19079 5695 1 8 . 1 1 91 91 TYR H H 91 8.086 8.086 8.804 -0.718 19079 5696 1 8 . 1 1 92 92 ASN N N 92 113.182 113.182 115.147 -1.965 19079 5697 1 8 . 1 1 92 92 ASN HA H 92 4.558 4.558 4.394 0.164 19079 5698 1 8 . 1 1 92 92 ASN C C 92 172.369 172.369 174.024 -1.655 19079 5699 1 8 . 1 1 92 92 ASN CA C 92 55.522 55.522 54.201 1.321 19079 5700 1 8 . 1 1 92 92 ASN CB C 92 37.732 37.732 36.412 1.320 19079 5701 1 8 . 1 1 92 92 ASN H H 92 8.529 8.529 8.537 -0.008 19079 5702 1 8 . 1 1 93 93 LEU N N 93 117.359 117.359 118.518 -1.159 19079 5703 1 8 . 1 1 93 93 LEU HA H 93 5.455 5.455 5.115 0.340 19079 5704 1 8 . 1 1 93 93 LEU C C 93 177.709 177.709 175.354 2.355 19079 5705 1 8 . 1 1 93 93 LEU CA C 93 54.341 54.341 53.701 0.640 19079 5706 1 8 . 1 1 93 93 LEU CB C 93 47.006 47.006 45.110 1.896 19079 5707 1 8 . 1 1 93 93 LEU H H 93 7.846 7.846 8.055 -0.209 19079 5708 1 8 . 1 1 94 94 LEU N N 94 123.298 123.298 124.817 -1.519 19079 5709 1 8 . 1 1 94 94 LEU HA H 94 5.014 5.014 5.095 -0.081 19079 5710 1 8 . 1 1 94 94 LEU C C 94 175.771 175.771 176.099 -0.328 19079 5711 1 8 . 1 1 94 94 LEU CA C 94 53.889 53.889 54.059 -0.170 19079 5712 1 8 . 1 1 94 94 LEU CB C 94 44.784 44.784 43.506 1.278 19079 5713 1 8 . 1 1 94 94 LEU H H 94 9.155 9.155 8.953 0.202 19079 5714 1 8 . 1 1 95 95 ILE N N 95 121.585 121.585 125.225 -3.640 19079 5715 1 8 . 1 1 95 95 ILE HA H 95 5.166 5.166 4.402 0.764 19079 5716 1 8 . 1 1 95 95 ILE C C 95 175.885 175.885 175.445 0.440 19079 5717 1 8 . 1 1 95 95 ILE CA C 95 59.795 59.795 59.158 0.637 19079 5718 1 8 . 1 1 95 95 ILE CB C 95 39.820 39.820 38.449 1.371 19079 5719 1 8 . 1 1 95 95 ILE H H 95 8.920 8.920 7.892 1.028 19079 5720 1 8 . 1 1 96 96 GLY N N 96 115.891 115.891 115.537 0.354 19079 5721 1 8 . 1 1 96 96 GLY C C 96 171.937 171.937 172.837 -0.900 19079 5722 1 8 . 1 1 96 96 GLY CA C 96 44.865 44.865 43.953 0.912 19079 5723 1 8 . 1 1 96 96 GLY H H 96 9.223 9.223 8.966 0.257 19079 5724 1 8 . 1 1 97 97 GLU N N 97 119.340 119.340 126.336 -6.996 19079 5725 1 8 . 1 1 97 97 GLU HA H 97 4.831 4.831 4.485 0.346 19079 5726 1 8 . 1 1 97 97 GLU C C 97 175.567 175.567 175.880 -0.313 19079 5727 1 8 . 1 1 97 97 GLU CA C 97 55.736 55.736 56.682 -0.946 19079 5728 1 8 . 1 1 97 97 GLU CB C 97 31.009 31.009 29.944 1.065 19079 5729 1 8 . 1 1 97 97 GLU H H 97 8.197 8.197 8.351 -0.154 19079 5730 1 8 . 1 1 98 98 GLY N N 98 113.912 113.912 112.207 1.705 19079 5731 1 8 . 1 1 98 98 GLY CA C 98 45.089 45.089 43.766 1.323 19079 5732 1 8 . 1 1 98 98 GLY H H 98 7.767 7.767 7.602 0.165 19079 5733 1 8 . 1 1 99 99 PRO HA H 99 4.347 4.347 4.768 -0.421 19079 5734 1 8 . 1 1 99 99 PRO CA C 99 62.396 62.396 62.456 -0.060 19079 5735 1 8 . 1 1 99 99 PRO CB C 99 32.558 32.558 30.606 1.952 19079 5736 1 8 . 1 1 100 100 CYS N N 100 122.972 122.972 125.060 -2.088 19079 5737 1 8 . 1 1 100 100 CYS HA H 100 4.567 4.567 4.605 -0.038 19079 5738 1 8 . 1 1 100 100 CYS C C 100 172.077 172.077 173.870 -1.793 19079 5739 1 8 . 1 1 100 100 CYS CA C 100 60.097 60.097 57.108 2.990 19079 5740 1 8 . 1 1 100 100 CYS CB C 100 28.063 28.063 30.027 -1.964 19079 5741 1 8 . 1 1 100 100 CYS H H 100 8.219 8.219 8.652 -0.433 19079 5742 1 8 . 1 1 101 101 VAL N N 101 123.973 123.973 123.385 0.588 19079 5743 1 8 . 1 1 101 101 VAL HA H 101 4.888 4.888 4.632 0.256 19079 5744 1 8 . 1 1 101 101 VAL CA C 101 58.947 58.947 57.971 0.976 19079 5745 1 8 . 1 1 101 101 VAL CB C 101 32.322 32.322 33.773 -1.451 19079 5746 1 8 . 1 1 101 101 VAL H H 101 8.662 8.662 8.226 0.436 19079 5747 1 8 . 1 1 103 103 GLY C C 103 175.333 175.333 174.943 0.390 19079 5748 1 8 . 1 1 103 103 GLY CA C 103 45.683 45.683 45.963 -0.280 19079 5749 1 8 . 1 1 104 104 ASP N N 104 121.740 121.740 122.902 -1.162 19079 5750 1 8 . 1 1 104 104 ASP HA H 104 4.836 4.836 4.677 0.159 19079 5751 1 8 . 1 1 104 104 ASP C C 104 176.601 176.601 175.908 0.693 19079 5752 1 8 . 1 1 104 104 ASP CA C 104 54.700 54.700 54.436 0.264 19079 5753 1 8 . 1 1 104 104 ASP CB C 104 41.322 41.322 41.496 -0.174 19079 5754 1 8 . 1 1 104 104 ASP H H 104 8.217 8.217 8.016 0.201 19079 5755 1 8 . 1 1 105 105 ALA N N 105 121.750 121.750 121.271 0.479 19079 5756 1 8 . 1 1 105 105 ALA HA H 105 3.707 3.707 4.059 -0.352 19079 5757 1 8 . 1 1 105 105 ALA C C 105 175.218 175.218 177.921 -2.703 19079 5758 1 8 . 1 1 105 105 ALA CA C 105 54.002 54.002 53.629 0.373 19079 5759 1 8 . 1 1 105 105 ALA CB C 105 18.021 18.021 18.616 -0.595 19079 5760 1 8 . 1 1 105 105 ALA H H 105 7.672 7.672 8.198 -0.526 19079 5761 1 8 . 1 1 106 106 GLY N N 106 110.675 110.675 111.555 -0.880 19079 5762 1 8 . 1 1 106 106 GLY C C 106 174.112 174.112 174.790 -0.678 19079 5763 1 8 . 1 1 106 106 GLY CA C 106 45.354 45.354 44.910 0.445 19079 5764 1 8 . 1 1 106 106 GLY H H 106 8.781 8.781 8.102 0.679 19079 5765 1 8 . 1 1 107 107 GLY N N 107 104.052 104.052 110.058 -6.006 19079 5766 1 8 . 1 1 107 107 GLY C C 107 173.970 173.970 174.552 -0.582 19079 5767 1 8 . 1 1 107 107 GLY CA C 107 46.405 46.405 45.069 1.336 19079 5768 1 8 . 1 1 107 107 GLY H H 107 7.727 7.727 7.835 -0.108 19079 5769 1 8 . 1 1 108 108 LYS N N 108 122.212 122.212 125.004 -2.792 19079 5770 1 8 . 1 1 108 108 LYS HA H 108 4.442 4.442 4.248 0.194 19079 5771 1 8 . 1 1 108 108 LYS C C 108 175.056 175.056 175.818 -0.762 19079 5772 1 8 . 1 1 108 108 LYS CA C 108 58.497 58.497 56.346 2.151 19079 5773 1 8 . 1 1 108 108 LYS CB C 108 36.053 36.053 33.069 2.984 19079 5774 1 8 . 1 1 108 108 LYS H H 108 8.553 8.553 8.463 0.090 19079 5775 1 8 . 1 1 109 109 LEU N N 109 119.300 119.300 127.994 -8.694 19079 5776 1 8 . 1 1 109 109 LEU HA H 109 4.881 4.881 5.175 -0.294 19079 5777 1 8 . 1 1 109 109 LEU C C 109 175.017 175.017 174.589 0.428 19079 5778 1 8 . 1 1 109 109 LEU CA C 109 53.372 53.372 53.809 -0.437 19079 5779 1 8 . 1 1 109 109 LEU CB C 109 43.275 43.275 43.539 -0.264 19079 5780 1 8 . 1 1 109 109 LEU H H 109 8.065 8.065 8.906 -0.841 19079 5781 1 8 . 1 1 110 110 LEU N N 110 126.757 126.757 127.737 -0.980 19079 5782 1 8 . 1 1 110 110 LEU HA H 110 5.498 5.498 4.972 0.526 19079 5783 1 8 . 1 1 110 110 LEU C C 110 176.125 176.125 175.916 0.209 19079 5784 1 8 . 1 1 110 110 LEU CA C 110 55.318 55.318 54.190 1.128 19079 5785 1 8 . 1 1 110 110 LEU CB C 110 44.799 44.799 44.474 0.325 19079 5786 1 8 . 1 1 110 110 LEU H H 110 9.450 9.450 9.132 0.318 19079 5787 1 8 . 1 1 111 111 CYS N N 111 118.897 118.897 120.551 -1.654 19079 5788 1 8 . 1 1 111 111 CYS HA H 111 5.254 5.254 4.845 0.409 19079 5789 1 8 . 1 1 111 111 CYS C C 111 177.063 177.063 175.808 1.255 19079 5790 1 8 . 1 1 111 111 CYS CA C 111 57.201 57.201 56.433 0.768 19079 5791 1 8 . 1 1 111 111 CYS CB C 111 32.532 32.532 30.942 1.590 19079 5792 1 8 . 1 1 111 111 CYS H H 111 8.575 8.575 8.704 -0.129 19079 5793 1 8 . 1 1 112 112 ARG N N 112 116.382 116.382 120.110 -3.728 19079 5794 1 8 . 1 1 112 112 ARG HA H 112 3.918 3.918 3.906 0.012 19079 5795 1 8 . 1 1 112 112 ARG C C 112 176.892 176.892 177.556 -0.664 19079 5796 1 8 . 1 1 112 112 ARG CA C 112 59.714 59.714 58.621 1.093 19079 5797 1 8 . 1 1 112 112 ARG CB C 112 29.874 29.874 29.313 0.561 19079 5798 1 8 . 1 1 112 112 ARG H H 112 8.350 8.350 8.645 -0.295 19079 5799 1 8 . 1 1 113 113 HIS N N 113 121.579 121.579 114.261 7.318 19079 5800 1 8 . 1 1 113 113 HIS HA H 113 4.480 4.480 4.701 -0.221 19079 5801 1 8 . 1 1 113 113 HIS C C 113 175.439 175.439 175.728 -0.289 19079 5802 1 8 . 1 1 113 113 HIS CA C 113 58.739 58.739 56.383 2.356 19079 5803 1 8 . 1 1 113 113 HIS CB C 113 31.050 31.050 30.759 0.291 19079 5804 1 8 . 1 1 113 113 HIS H H 113 10.445 10.445 7.192 3.253 19079 5805 1 8 . 1 1 114 114 GLY N N 114 108.273 108.273 105.381 2.892 19079 5806 1 8 . 1 1 114 114 GLY C C 114 169.307 169.307 173.103 -3.796 19079 5807 1 8 . 1 1 114 114 GLY CA C 114 45.413 45.413 44.909 0.504 19079 5808 1 8 . 1 1 114 114 GLY H H 114 7.689 7.689 7.505 0.184 19079 5809 1 8 . 1 1 115 115 VAL N N 115 120.998 120.998 122.273 -1.275 19079 5810 1 8 . 1 1 115 115 VAL HA H 115 4.476 4.476 4.091 0.385 19079 5811 1 8 . 1 1 115 115 VAL C C 115 173.881 173.881 176.570 -2.689 19079 5812 1 8 . 1 1 115 115 VAL CA C 115 62.513 62.513 64.436 -1.923 19079 5813 1 8 . 1 1 115 115 VAL CB C 115 32.113 32.113 31.803 0.310 19079 5814 1 8 . 1 1 115 115 VAL H H 115 8.455 8.455 8.434 0.021 19079 5815 1 8 . 1 1 116 116 ILE N N 116 114.566 114.566 116.332 -1.766 19079 5816 1 8 . 1 1 116 116 ILE HA H 116 4.603 4.603 4.608 -0.005 19079 5817 1 8 . 1 1 116 116 ILE C C 116 175.445 175.445 174.707 0.738 19079 5818 1 8 . 1 1 116 116 ILE CA C 116 61.470 61.470 60.205 1.265 19079 5819 1 8 . 1 1 116 116 ILE CB C 116 40.782 40.782 39.183 1.599 19079 5820 1 8 . 1 1 116 116 ILE H H 116 8.460 8.460 9.127 -0.667 19079 5821 1 8 . 1 1 117 117 GLY N N 117 106.195 106.195 107.850 -1.655 19079 5822 1 8 . 1 1 117 117 GLY C C 117 171.664 171.664 171.769 -0.105 19079 5823 1 8 . 1 1 117 117 GLY CA C 117 46.303 46.303 45.630 0.673 19079 5824 1 8 . 1 1 117 117 GLY H H 117 7.827 7.827 7.507 0.320 19079 5825 1 8 . 1 1 118 118 ILE N N 118 109.501 109.501 115.770 -6.269 19079 5826 1 8 . 1 1 118 118 ILE HA H 118 5.611 5.611 5.423 0.188 19079 5827 1 8 . 1 1 118 118 ILE C C 118 176.642 176.642 175.464 1.178 19079 5828 1 8 . 1 1 118 118 ILE CA C 118 58.787 58.787 57.780 1.007 19079 5829 1 8 . 1 1 118 118 ILE CB C 118 43.351 43.351 41.889 1.462 19079 5830 1 8 . 1 1 118 118 ILE H H 118 7.571 7.571 7.890 -0.319 19079 5831 1 8 . 1 1 119 119 ILE N N 119 124.258 124.258 120.543 3.715 19079 5832 1 8 . 1 1 119 119 ILE HA H 119 3.774 3.774 4.707 -0.933 19079 5833 1 8 . 1 1 119 119 ILE C C 119 177.447 177.447 176.806 0.641 19079 5834 1 8 . 1 1 119 119 ILE CA C 119 64.399 64.399 62.150 2.249 19079 5835 1 8 . 1 1 119 119 ILE CB C 119 39.393 39.393 37.216 2.177 19079 5836 1 8 . 1 1 119 119 ILE H H 119 9.465 9.465 8.287 1.178 19079 5837 1 8 . 1 1 120 120 THR N N 120 122.153 122.153 123.974 -1.821 19079 5838 1 8 . 1 1 120 120 THR HA H 120 4.670 4.670 4.506 0.164 19079 5839 1 8 . 1 1 120 120 THR C C 120 171.416 171.416 173.676 -2.260 19079 5840 1 8 . 1 1 120 120 THR CA C 120 61.440 61.440 61.625 -0.185 19079 5841 1 8 . 1 1 120 120 THR CB C 120 70.455 70.455 70.316 0.139 19079 5842 1 8 . 1 1 120 120 THR H H 120 9.400 9.400 8.413 0.987 19079 5843 1 8 . 1 1 121 121 ALA N N 121 124.014 124.014 122.993 1.021 19079 5844 1 8 . 1 1 121 121 ALA HA H 121 4.583 4.583 4.728 -0.145 19079 5845 1 8 . 1 1 121 121 ALA C C 121 173.695 173.695 175.274 -1.579 19079 5846 1 8 . 1 1 121 121 ALA CA C 121 51.833 51.833 51.116 0.717 19079 5847 1 8 . 1 1 121 121 ALA CB C 121 22.523 22.523 21.704 0.819 19079 5848 1 8 . 1 1 121 121 ALA H H 121 7.885 7.885 7.277 0.608 19079 5849 1 8 . 1 1 122 122 GLY N N 122 103.252 103.252 105.918 -2.666 19079 5850 1 8 . 1 1 122 122 GLY C C 122 172.124 172.124 173.092 -0.968 19079 5851 1 8 . 1 1 122 122 GLY CA C 122 45.917 45.917 45.199 0.718 19079 5852 1 8 . 1 1 122 122 GLY H H 122 7.828 7.828 8.087 -0.259 19079 5853 1 8 . 1 1 123 123 GLY N N 123 107.688 107.688 109.409 -1.721 19079 5854 1 8 . 1 1 123 123 GLY C C 123 174.470 174.470 173.695 0.775 19079 5855 1 8 . 1 1 123 123 GLY CA C 123 45.051 45.051 44.928 0.123 19079 5856 1 8 . 1 1 123 123 GLY H H 123 8.285 8.285 8.351 -0.066 19079 5857 1 8 . 1 1 124 124 ASP N N 124 120.288 120.288 120.207 0.081 19079 5858 1 8 . 1 1 124 124 ASP HA H 124 4.621 4.621 4.289 0.332 19079 5859 1 8 . 1 1 124 124 ASP C C 124 176.061 176.061 178.047 -1.986 19079 5860 1 8 . 1 1 124 124 ASP CA C 124 55.465 55.465 57.347 -1.882 19079 5861 1 8 . 1 1 124 124 ASP CB C 124 40.111 40.111 39.589 0.522 19079 5862 1 8 . 1 1 124 124 ASP H H 124 9.054 9.054 7.903 1.151 19079 5863 1 8 . 1 1 125 125 GLY N N 125 105.482 105.482 106.074 -0.592 19079 5864 1 8 . 1 1 125 125 GLY C C 125 174.566 174.566 172.520 2.046 19079 5865 1 8 . 1 1 125 125 GLY CA C 125 45.493 45.493 45.453 0.040 19079 5866 1 8 . 1 1 125 125 GLY H H 125 8.567 8.567 8.120 0.447 19079 5867 1 8 . 1 1 126 126 HIS N N 126 117.677 117.677 116.777 0.900 19079 5868 1 8 . 1 1 126 126 HIS HA H 126 5.449 5.449 5.070 0.379 19079 5869 1 8 . 1 1 126 126 HIS C C 126 172.058 172.058 173.577 -1.519 19079 5870 1 8 . 1 1 126 126 HIS CA C 126 54.653 54.653 54.492 0.161 19079 5871 1 8 . 1 1 126 126 HIS CB C 126 31.709 31.709 33.816 -2.107 19079 5872 1 8 . 1 1 126 126 HIS H H 126 7.852 7.852 7.164 0.688 19079 5873 1 8 . 1 1 127 127 VAL N N 127 121.145 121.145 120.505 0.640 19079 5874 1 8 . 1 1 127 127 VAL HA H 127 4.230 4.230 4.191 0.039 19079 5875 1 8 . 1 1 127 127 VAL C C 127 170.317 170.317 173.533 -3.216 19079 5876 1 8 . 1 1 127 127 VAL CA C 127 60.125 60.125 61.045 -0.920 19079 5877 1 8 . 1 1 127 127 VAL CB C 127 34.681 34.681 34.050 0.631 19079 5878 1 8 . 1 1 127 127 VAL H H 127 8.857 8.857 8.666 0.191 19079 5879 1 8 . 1 1 128 128 ALA N N 128 127.867 127.867 129.498 -1.631 19079 5880 1 8 . 1 1 128 128 ALA HA H 128 5.222 5.222 4.665 0.557 19079 5881 1 8 . 1 1 128 128 ALA C C 128 175.506 175.506 175.767 -0.261 19079 5882 1 8 . 1 1 128 128 ALA CA C 128 49.199 49.199 49.821 -0.622 19079 5883 1 8 . 1 1 128 128 ALA CB C 128 21.731 21.731 21.057 0.674 19079 5884 1 8 . 1 1 128 128 ALA H H 128 8.400 8.400 8.216 0.184 19079 5885 1 8 . 1 1 129 129 PHE N N 129 121.202 121.202 119.004 2.198 19079 5886 1 8 . 1 1 129 129 PHE HA H 129 5.301 5.301 5.315 -0.014 19079 5887 1 8 . 1 1 129 129 PHE C C 129 176.082 176.082 175.625 0.457 19079 5888 1 8 . 1 1 129 129 PHE CA C 129 54.759 54.759 56.236 -1.477 19079 5889 1 8 . 1 1 129 129 PHE CB C 129 41.372 41.372 43.427 -2.055 19079 5890 1 8 . 1 1 129 129 PHE H H 129 9.689 9.689 8.382 1.307 19079 5891 1 8 . 1 1 130 130 THR N N 130 121.809 121.809 118.612 3.197 19079 5892 1 8 . 1 1 130 130 THR HA H 130 4.573 4.573 4.784 -0.211 19079 5893 1 8 . 1 1 130 130 THR C C 130 173.050 173.050 174.027 -0.977 19079 5894 1 8 . 1 1 130 130 THR CA C 130 63.487 63.487 61.449 2.038 19079 5895 1 8 . 1 1 130 130 THR CB C 130 70.852 70.852 69.990 0.862 19079 5896 1 8 . 1 1 130 130 THR H H 130 8.848 8.848 8.962 -0.114 19079 5897 1 8 . 1 1 131 131 ASP N N 131 128.382 128.382 129.565 -1.183 19079 5898 1 8 . 1 1 131 131 ASP HA H 131 4.915 4.915 4.698 0.217 19079 5899 1 8 . 1 1 131 131 ASP C C 131 175.616 175.616 176.789 -1.173 19079 5900 1 8 . 1 1 131 131 ASP CA C 131 52.924 52.924 54.803 -1.879 19079 5901 1 8 . 1 1 131 131 ASP CB C 131 41.513 41.513 40.832 0.681 19079 5902 1 8 . 1 1 131 131 ASP H H 131 8.722 8.722 8.253 0.469 19079 5903 1 8 . 1 1 132 132 LEU N N 132 123.250 123.250 127.215 -3.965 19079 5904 1 8 . 1 1 132 132 LEU HA H 132 4.325 4.325 4.280 0.045 19079 5905 1 8 . 1 1 132 132 LEU C C 132 179.704 179.704 178.143 1.561 19079 5906 1 8 . 1 1 132 132 LEU CA C 132 55.286 55.286 56.224 -0.938 19079 5907 1 8 . 1 1 132 132 LEU CB C 132 42.640 42.640 42.197 0.443 19079 5908 1 8 . 1 1 132 132 LEU H H 132 8.788 8.788 8.370 0.418 19079 5909 1 8 . 1 1 133 133 ARG N N 133 119.561 119.561 120.277 -0.716 19079 5910 1 8 . 1 1 133 133 ARG HA H 133 3.977 3.977 4.157 -0.180 19079 5911 1 8 . 1 1 133 133 ARG C C 133 177.476 177.476 175.167 2.309 19079 5912 1 8 . 1 1 133 133 ARG CA C 133 61.799 61.799 60.794 1.005 19079 5913 1 8 . 1 1 133 133 ARG CB C 133 27.601 27.601 28.497 -0.896 19079 5914 1 8 . 1 1 133 133 ARG H H 133 8.961 8.961 7.749 1.212 19079 5915 1 8 . 1 1 134 134 PRO HA H 134 4.284 4.284 4.336 -0.052 19079 5916 1 8 . 1 1 134 134 PRO C C 134 175.695 175.695 175.400 0.295 19079 5917 1 8 . 1 1 134 134 PRO CA C 134 64.508 64.508 63.615 0.893 19079 5918 1 8 . 1 1 134 134 PRO CB C 134 31.008 31.008 29.915 1.093 19079 5919 1 8 . 1 1 135 135 TYR N N 135 114.745 114.745 118.766 -4.021 19079 5920 1 8 . 1 1 135 135 TYR HA H 135 4.420 4.420 4.455 -0.035 19079 5921 1 8 . 1 1 135 135 TYR C C 135 175.146 175.146 174.123 1.023 19079 5922 1 8 . 1 1 135 135 TYR CA C 135 57.322 57.322 59.211 -1.889 19079 5923 1 8 . 1 1 135 135 TYR CB C 135 39.549 39.549 39.975 -0.426 19079 5924 1 8 . 1 1 135 135 TYR H H 135 7.419 7.419 8.600 -1.181 19079 5925 1 8 . 1 1 136 136 ASN N N 136 119.088 119.088 117.655 1.433 19079 5926 1 8 . 1 1 136 136 ASN HA H 136 4.622 4.622 4.821 -0.199 19079 5927 1 8 . 1 1 136 136 ASN C C 136 175.650 175.650 175.729 -0.079 19079 5928 1 8 . 1 1 136 136 ASN CA C 136 53.601 53.601 51.618 1.983 19079 5929 1 8 . 1 1 136 136 ASN CB C 136 38.741 38.741 40.077 -1.336 19079 5930 1 8 . 1 1 136 136 ASN H H 136 7.245 7.245 7.634 -0.389 19079 5931 1 8 . 1 1 137 137 ILE N N 137 126.031 126.031 122.416 3.615 19079 5932 1 8 . 1 1 137 137 ILE HA H 137 4.135 4.135 4.256 -0.121 19079 5933 1 8 . 1 1 137 137 ILE C C 137 175.636 175.636 175.747 -0.111 19079 5934 1 8 . 1 1 137 137 ILE CA C 137 61.215 61.215 59.995 1.220 19079 5935 1 8 . 1 1 137 137 ILE CB C 137 38.380 38.380 35.131 3.249 19079 5936 1 8 . 1 1 137 137 ILE H H 137 7.849 7.849 8.383 -0.534 19079 5937 1 8 . 1 1 138 138 LYS N N 138 125.271 125.271 124.372 0.899 19079 5938 1 8 . 1 1 138 138 LYS HA H 138 4.368 4.368 4.488 -0.120 19079 5939 1 8 . 1 1 138 138 LYS C C 138 176.110 176.110 176.997 -0.887 19079 5940 1 8 . 1 1 138 138 LYS CA C 138 55.906 55.906 56.375 -0.469 19079 5941 1 8 . 1 1 138 138 LYS CB C 138 33.564 33.564 32.777 0.787 19079 5942 1 8 . 1 1 138 138 LYS H H 138 8.171 8.171 7.567 0.604 19079 5943 1 8 . 1 1 139 139 ALA N N 139 124.226 124.226 121.571 2.655 19079 5944 1 8 . 1 1 139 139 ALA HA H 139 4.384 4.384 4.097 0.287 19079 5945 1 8 . 1 1 139 139 ALA C C 139 177.788 177.788 177.555 0.233 19079 5946 1 8 . 1 1 139 139 ALA CA C 139 52.522 52.522 54.328 -1.806 19079 5947 1 8 . 1 1 139 139 ALA CB C 139 19.531 19.531 18.810 0.721 19079 5948 1 8 . 1 1 139 139 ALA H H 139 8.207 8.207 8.388 -0.181 19079 5949 1 8 . 1 1 140 140 THR N N 140 112.869 112.869 109.118 3.751 19079 5950 1 8 . 1 1 140 140 THR HA H 140 4.390 4.390 4.477 -0.087 19079 5951 1 8 . 1 1 140 140 THR C C 140 174.522 174.522 173.662 0.860 19079 5952 1 8 . 1 1 140 140 THR CA C 140 61.685 61.685 61.501 0.184 19079 5953 1 8 . 1 1 140 140 THR CB C 140 69.961 69.961 70.703 -0.742 19079 5954 1 8 . 1 1 140 140 THR H H 140 8.094 8.094 7.693 0.401 19079 5955 1 8 . 1 1 141 141 SER N N 141 118.138 118.138 118.516 -0.378 19079 5956 1 8 . 1 1 141 141 SER HA H 141 4.500 4.500 4.544 -0.044 19079 5957 1 8 . 1 1 141 141 SER C C 141 173.503 173.503 174.175 -0.672 19079 5958 1 8 . 1 1 141 141 SER CA C 141 58.315 58.315 58.314 0.001 19079 5959 1 8 . 1 1 141 141 SER CB C 141 64.039 64.039 63.758 0.281 19079 5960 1 8 . 1 1 141 141 SER H H 141 8.209 8.209 8.452 -0.243 19079 5961 1 9 . 1 1 2 2 PRO HA H 2 4.360 4.360 4.849 -0.489 19079 5962 1 9 . 1 1 2 2 PRO C C 2 178.185 178.185 176.822 1.363 19079 5963 1 9 . 1 1 2 2 PRO CA C 2 65.722 65.722 62.403 3.319 19079 5964 1 9 . 1 1 2 2 PRO CB C 2 33.078 33.078 32.949 0.129 19079 5965 1 9 . 1 1 3 3 SER N N 3 112.403 112.403 113.891 -1.488 19079 5966 1 9 . 1 1 3 3 SER HA H 3 3.136 3.136 4.406 -1.270 19079 5967 1 9 . 1 1 3 3 SER C C 3 172.101 172.101 173.718 -1.617 19079 5968 1 9 . 1 1 3 3 SER CA C 3 57.421 57.421 58.713 -1.292 19079 5969 1 9 . 1 1 3 3 SER CB C 3 62.812 62.812 63.571 -0.759 19079 5970 1 9 . 1 1 3 3 SER H H 3 8.494 8.494 8.125 0.369 19079 5971 1 9 . 1 1 4 4 ASP N N 4 119.024 119.024 120.811 -1.787 19079 5972 1 9 . 1 1 4 4 ASP HA H 4 4.438 4.438 4.474 -0.036 19079 5973 1 9 . 1 1 4 4 ASP C C 4 177.371 177.371 175.270 2.101 19079 5974 1 9 . 1 1 4 4 ASP CA C 4 54.800 54.800 54.659 0.141 19079 5975 1 9 . 1 1 4 4 ASP CB C 4 41.495 41.495 40.222 1.273 19079 5976 1 9 . 1 1 4 4 ASP H H 4 6.841 6.841 8.495 -1.654 19079 5977 1 9 . 1 1 5 5 LEU N N 5 129.426 129.426 121.345 8.081 19079 5978 1 9 . 1 1 5 5 LEU HA H 5 4.526 4.526 4.491 0.035 19079 5979 1 9 . 1 1 5 5 LEU C C 5 176.246 176.246 177.086 -0.840 19079 5980 1 9 . 1 1 5 5 LEU CA C 5 54.010 54.010 54.636 -0.626 19079 5981 1 9 . 1 1 5 5 LEU CB C 5 40.690 40.690 40.713 -0.023 19079 5982 1 9 . 1 1 5 5 LEU H H 5 8.781 8.781 8.371 0.410 19079 5983 1 9 . 1 1 6 6 PHE HA H 6 4.842 4.842 4.027 0.815 19079 5984 1 9 . 1 1 6 6 PHE C C 6 174.584 174.584 174.521 0.063 19079 5985 1 9 . 1 1 6 6 PHE CA C 6 56.782 56.782 60.459 -3.677 19079 5986 1 9 . 1 1 6 6 PHE CB C 6 39.576 39.576 38.754 0.822 19079 5987 1 9 . 1 1 7 7 VAL N N 7 118.923 118.923 119.305 -0.382 19079 5988 1 9 . 1 1 7 7 VAL HA H 7 4.528 4.528 4.106 0.422 19079 5989 1 9 . 1 1 7 7 VAL C C 7 173.989 173.989 173.708 0.281 19079 5990 1 9 . 1 1 7 7 VAL CA C 7 61.571 61.571 60.426 1.145 19079 5991 1 9 . 1 1 7 7 VAL CB C 7 34.826 34.826 33.981 0.845 19079 5992 1 9 . 1 1 7 7 VAL H H 7 8.586 8.586 8.757 -0.171 19079 5993 1 9 . 1 1 8 8 HIS N N 8 132.990 132.990 123.543 9.447 19079 5994 1 9 . 1 1 8 8 HIS HA H 8 5.997 5.997 5.316 0.681 19079 5995 1 9 . 1 1 8 8 HIS C C 8 174.184 174.184 174.741 -0.557 19079 5996 1 9 . 1 1 8 8 HIS CA C 8 53.113 53.113 53.975 -0.862 19079 5997 1 9 . 1 1 8 8 HIS CB C 8 33.889 33.889 31.615 2.274 19079 5998 1 9 . 1 1 8 8 HIS H H 8 10.809 10.809 8.255 2.554 19079 5999 1 9 . 1 1 9 9 THR N N 9 118.112 118.112 116.289 1.823 19079 6000 1 9 . 1 1 9 9 THR HA H 9 5.343 5.343 4.861 0.482 19079 6001 1 9 . 1 1 9 9 THR C C 9 175.788 175.788 175.132 0.656 19079 6002 1 9 . 1 1 9 9 THR CA C 9 59.768 59.768 60.805 -1.037 19079 6003 1 9 . 1 1 9 9 THR CB C 9 70.673 70.673 69.120 1.553 19079 6004 1 9 . 1 1 9 9 THR H H 9 9.512 9.512 8.942 0.570 19079 6005 1 9 . 1 1 10 10 GLU N N 10 117.927 117.927 128.446 -10.519 19079 6006 1 9 . 1 1 10 10 GLU HA H 10 4.096 4.096 3.823 0.273 19079 6007 1 9 . 1 1 10 10 GLU C C 10 176.321 176.321 175.767 0.554 19079 6008 1 9 . 1 1 10 10 GLU CA C 10 59.900 59.900 59.497 0.403 19079 6009 1 9 . 1 1 10 10 GLU CB C 10 29.983 29.983 28.494 1.489 19079 6010 1 9 . 1 1 10 10 GLU H H 10 8.812 8.812 8.622 0.190 19079 6011 1 9 . 1 1 11 11 GLN N N 11 110.877 110.877 119.838 -8.961 19079 6012 1 9 . 1 1 11 11 GLN HA H 11 4.621 4.621 4.799 -0.178 19079 6013 1 9 . 1 1 11 11 GLN C C 11 175.391 175.391 174.014 1.377 19079 6014 1 9 . 1 1 11 11 GLN CA C 11 56.071 56.071 55.365 0.706 19079 6015 1 9 . 1 1 11 11 GLN CB C 11 31.963 31.963 31.180 0.783 19079 6016 1 9 . 1 1 11 11 GLN H H 11 7.797 7.797 8.128 -0.331 19079 6017 1 9 . 1 1 12 12 ALA N N 12 122.143 122.143 123.173 -1.030 19079 6018 1 9 . 1 1 12 12 ALA HA H 12 5.049 5.049 5.394 -0.345 19079 6019 1 9 . 1 1 12 12 ALA C C 12 174.293 174.293 175.730 -1.437 19079 6020 1 9 . 1 1 12 12 ALA CA C 12 51.943 51.943 50.001 1.942 19079 6021 1 9 . 1 1 12 12 ALA CB C 12 23.177 23.177 21.445 1.732 19079 6022 1 9 . 1 1 12 12 ALA H H 12 7.814 7.814 8.539 -0.725 19079 6023 1 9 . 1 1 13 13 ILE N N 13 119.589 119.589 125.927 -6.338 19079 6024 1 9 . 1 1 13 13 ILE HA H 13 5.399 5.399 4.661 0.738 19079 6025 1 9 . 1 1 13 13 ILE C C 13 174.295 174.295 175.222 -0.927 19079 6026 1 9 . 1 1 13 13 ILE CA C 13 60.102 60.102 60.362 -0.260 19079 6027 1 9 . 1 1 13 13 ILE CB C 13 41.080 41.080 38.556 2.524 19079 6028 1 9 . 1 1 13 13 ILE H H 13 9.206 9.206 8.464 0.742 19079 6029 1 9 . 1 1 14 14 TYR N N 14 127.337 127.337 130.457 -3.120 19079 6030 1 9 . 1 1 14 14 TYR HA H 14 4.853 4.853 5.090 -0.237 19079 6031 1 9 . 1 1 14 14 TYR C C 14 172.793 172.793 174.729 -1.936 19079 6032 1 9 . 1 1 14 14 TYR CA C 14 56.784 56.784 57.346 -0.562 19079 6033 1 9 . 1 1 14 14 TYR CB C 14 39.797 39.797 39.459 0.338 19079 6034 1 9 . 1 1 14 14 TYR H H 14 9.794 9.794 8.877 0.917 19079 6035 1 9 . 1 1 15 15 LYS HA H 15 4.372 4.372 2.626 1.746 19079 6036 1 9 . 1 1 15 15 LYS CA C 15 55.924 55.924 53.174 2.750 19079 6037 1 9 . 1 1 15 15 LYS CB C 15 33.563 33.563 35.101 -1.538 19079 6038 1 9 . 1 1 15 15 LYS H H 15 7.550 7.550 8.277 -0.727 19079 6039 1 9 . 1 1 16 16 ASN N N 16 107.943 107.943 116.943 -9.000 19079 6040 1 9 . 1 1 16 16 ASN HA H 16 5.098 5.098 4.769 0.329 19079 6041 1 9 . 1 1 16 16 ASN C C 16 176.475 176.475 176.385 0.090 19079 6042 1 9 . 1 1 16 16 ASN CA C 16 54.072 54.072 53.441 0.631 19079 6043 1 9 . 1 1 16 16 ASN CB C 16 38.619 38.619 39.599 -0.980 19079 6044 1 9 . 1 1 16 16 ASN H H 16 8.156 8.156 8.118 0.038 19079 6045 1 9 . 1 1 17 17 ALA N N 17 127.319 127.319 129.070 -1.751 19079 6046 1 9 . 1 1 17 17 ALA HA H 17 3.608 3.608 4.456 -0.848 19079 6047 1 9 . 1 1 17 17 ALA C C 17 180.081 180.081 179.465 0.616 19079 6048 1 9 . 1 1 17 17 ALA CA C 17 54.282 54.282 54.952 -0.670 19079 6049 1 9 . 1 1 17 17 ALA CB C 17 17.646 17.646 19.177 -1.531 19079 6050 1 9 . 1 1 17 17 ALA H H 17 7.573 7.573 8.987 -1.414 19079 6051 1 9 . 1 1 18 18 HIS N N 18 108.625 108.625 115.370 -6.745 19079 6052 1 9 . 1 1 18 18 HIS HA H 18 4.504 4.504 4.496 0.008 19079 6053 1 9 . 1 1 18 18 HIS C C 18 174.182 174.182 175.957 -1.775 19079 6054 1 9 . 1 1 18 18 HIS CA C 18 57.782 57.782 58.070 -0.288 19079 6055 1 9 . 1 1 18 18 HIS CB C 18 26.798 26.798 29.417 -2.619 19079 6056 1 9 . 1 1 18 18 HIS H H 18 8.118 8.118 8.677 -0.559 19079 6057 1 9 . 1 1 19 19 LEU N N 19 117.682 117.682 119.756 -2.074 19079 6058 1 9 . 1 1 19 19 LEU HA H 19 4.444 4.444 4.481 -0.037 19079 6059 1 9 . 1 1 19 19 LEU C C 19 175.795 175.795 176.853 -1.058 19079 6060 1 9 . 1 1 19 19 LEU CA C 19 53.309 53.309 54.927 -1.618 19079 6061 1 9 . 1 1 19 19 LEU CB C 19 42.366 42.366 43.216 -0.850 19079 6062 1 9 . 1 1 19 19 LEU H H 19 6.677 6.677 7.517 -0.840 19079 6063 1 9 . 1 1 20 20 THR N N 20 116.187 116.187 109.523 6.664 19079 6064 1 9 . 1 1 20 20 THR HA H 20 4.700 4.700 4.389 0.311 19079 6065 1 9 . 1 1 20 20 THR C C 20 171.105 171.105 174.768 -3.663 19079 6066 1 9 . 1 1 20 20 THR CA C 20 58.570 58.570 61.991 -3.421 19079 6067 1 9 . 1 1 20 20 THR CB C 20 69.724 69.724 70.601 -0.877 19079 6068 1 9 . 1 1 20 20 THR H H 20 7.399 7.399 7.465 -0.066 19079 6069 1 9 . 1 1 21 21 THR N N 21 114.194 114.194 120.341 -6.147 19079 6070 1 9 . 1 1 21 21 THR HA H 21 5.124 5.124 4.044 1.080 19079 6071 1 9 . 1 1 21 21 THR CA C 21 58.991 58.991 61.426 -2.435 19079 6072 1 9 . 1 1 21 21 THR CB C 21 71.564 71.564 68.993 2.571 19079 6073 1 9 . 1 1 21 21 THR H H 21 8.410 8.410 7.763 0.647 19079 6074 1 9 . 1 1 22 22 PRO HA H 22 4.432 4.432 4.551 -0.119 19079 6075 1 9 . 1 1 22 22 PRO C C 22 175.895 175.895 176.524 -0.629 19079 6076 1 9 . 1 1 22 22 PRO CA C 22 63.390 63.390 62.813 0.577 19079 6077 1 9 . 1 1 22 22 PRO CB C 22 32.203 32.203 32.256 -0.053 19079 6078 1 9 . 1 1 23 23 ASN N N 23 119.233 119.233 117.297 1.936 19079 6079 1 9 . 1 1 23 23 ASN HA H 23 5.032 5.032 4.528 0.504 19079 6080 1 9 . 1 1 23 23 ASN C C 23 175.963 175.963 175.850 0.113 19079 6081 1 9 . 1 1 23 23 ASN CA C 23 52.452 52.452 55.151 -2.699 19079 6082 1 9 . 1 1 23 23 ASN CB C 23 41.420 41.420 38.657 2.763 19079 6083 1 9 . 1 1 23 23 ASN H H 23 9.227 9.227 8.410 0.817 19079 6084 1 9 . 1 1 24 24 ASP N N 24 119.074 119.074 115.891 3.183 19079 6085 1 9 . 1 1 24 24 ASP HA H 24 4.417 4.417 4.727 -0.310 19079 6086 1 9 . 1 1 24 24 ASP C C 24 176.983 176.983 175.185 1.798 19079 6087 1 9 . 1 1 24 24 ASP CA C 24 56.942 56.942 54.470 2.472 19079 6088 1 9 . 1 1 24 24 ASP CB C 24 40.266 40.266 40.862 -0.596 19079 6089 1 9 . 1 1 24 24 ASP H H 24 8.649 8.649 8.183 0.466 19079 6090 1 9 . 1 1 25 25 GLN N N 25 116.580 116.580 118.727 -2.147 19079 6091 1 9 . 1 1 25 25 GLN HA H 25 4.425 4.425 4.289 0.136 19079 6092 1 9 . 1 1 25 25 GLN C C 25 177.373 177.373 176.022 1.351 19079 6093 1 9 . 1 1 25 25 GLN CA C 25 55.419 55.419 56.682 -1.263 19079 6094 1 9 . 1 1 25 25 GLN CB C 25 28.933 28.933 29.213 -0.280 19079 6095 1 9 . 1 1 25 25 GLN H H 25 9.028 9.028 8.421 0.607 19079 6096 1 9 . 1 1 26 26 THR N N 26 122.196 122.196 109.824 12.372 19079 6097 1 9 . 1 1 26 26 THR HA H 26 4.779 4.779 4.098 0.681 19079 6098 1 9 . 1 1 26 26 THR C C 26 174.583 174.583 174.313 0.270 19079 6099 1 9 . 1 1 26 26 THR CA C 26 65.218 65.218 63.103 2.115 19079 6100 1 9 . 1 1 26 26 THR CB C 26 68.963 68.963 69.363 -0.400 19079 6101 1 9 . 1 1 26 26 THR H H 26 7.692 7.692 7.601 0.091 19079 6102 1 9 . 1 1 27 27 ILE N N 27 129.367 129.367 118.948 10.419 19079 6103 1 9 . 1 1 27 27 ILE HA H 27 4.112 4.112 4.274 -0.162 19079 6104 1 9 . 1 1 27 27 ILE C C 27 175.734 175.734 175.074 0.660 19079 6105 1 9 . 1 1 27 27 ILE CA C 27 62.558 62.558 62.045 0.513 19079 6106 1 9 . 1 1 27 27 ILE CB C 27 40.357 40.357 39.755 0.602 19079 6107 1 9 . 1 1 27 27 ILE H H 27 9.785 9.785 8.403 1.382 19079 6108 1 9 . 1 1 28 28 LEU N N 28 120.773 120.773 122.360 -1.587 19079 6109 1 9 . 1 1 28 28 LEU HA H 28 4.506 4.506 4.689 -0.183 19079 6110 1 9 . 1 1 28 28 LEU C C 28 173.083 173.083 174.371 -1.288 19079 6111 1 9 . 1 1 28 28 LEU CA C 28 55.337 55.337 54.280 1.057 19079 6112 1 9 . 1 1 28 28 LEU CB C 28 45.942 45.942 44.648 1.294 19079 6113 1 9 . 1 1 28 28 LEU H H 28 7.814 7.814 7.452 0.362 19079 6114 1 9 . 1 1 29 29 LEU N N 29 128.285 128.285 123.546 4.739 19079 6115 1 9 . 1 1 29 29 LEU HA H 29 4.798 4.798 5.043 -0.244 19079 6116 1 9 . 1 1 29 29 LEU C C 29 174.589 174.589 175.500 -0.911 19079 6117 1 9 . 1 1 29 29 LEU CA C 29 54.133 54.133 53.715 0.418 19079 6118 1 9 . 1 1 29 29 LEU CB C 29 43.909 43.909 44.827 -0.918 19079 6119 1 9 . 1 1 29 29 LEU H H 29 8.653 8.653 8.117 0.536 19079 6120 1 9 . 1 1 30 30 ALA N N 30 132.532 132.532 126.831 5.701 19079 6121 1 9 . 1 1 30 30 ALA HA H 30 4.995 4.995 4.751 0.244 19079 6122 1 9 . 1 1 30 30 ALA C C 30 177.994 177.994 176.861 1.133 19079 6123 1 9 . 1 1 30 30 ALA CA C 30 49.621 49.621 50.691 -1.069 19079 6124 1 9 . 1 1 30 30 ALA CB C 30 18.022 18.022 20.874 -2.852 19079 6125 1 9 . 1 1 30 30 ALA H H 30 9.179 9.179 8.384 0.795 19079 6126 1 9 . 1 1 31 31 LEU N N 31 126.651 126.651 124.580 2.071 19079 6127 1 9 . 1 1 31 31 LEU HA H 31 4.619 4.619 4.358 0.261 19079 6128 1 9 . 1 1 31 31 LEU CA C 31 59.032 59.032 56.408 2.623 19079 6129 1 9 . 1 1 31 31 LEU CB C 31 41.356 41.356 40.885 0.471 19079 6130 1 9 . 1 1 31 31 LEU H H 31 8.828 8.828 9.083 -0.255 19079 6131 1 9 . 1 1 32 32 THR HA H 32 4.283 4.283 4.108 0.175 19079 6132 1 9 . 1 1 32 32 THR C C 32 173.341 173.341 174.333 -0.992 19079 6133 1 9 . 1 1 32 32 THR CA C 32 63.443 63.443 65.511 -2.068 19079 6134 1 9 . 1 1 32 32 THR CB C 32 68.639 68.639 68.984 -0.344 19079 6135 1 9 . 1 1 32 32 THR H H 32 8.105 8.105 8.142 -0.037 19079 6136 1 9 . 1 1 33 33 ALA N N 33 122.960 122.960 118.947 4.013 19079 6137 1 9 . 1 1 33 33 ALA HA H 33 5.301 5.301 4.373 0.928 19079 6138 1 9 . 1 1 33 33 ALA C C 33 175.467 175.467 175.429 0.038 19079 6139 1 9 . 1 1 33 33 ALA CA C 33 50.782 50.782 51.104 -0.322 19079 6140 1 9 . 1 1 33 33 ALA CB C 33 20.256 20.256 19.956 0.301 19079 6141 1 9 . 1 1 33 33 ALA H H 33 7.328 7.328 7.335 -0.007 19079 6142 1 9 . 1 1 34 34 ASP N N 34 115.713 115.713 116.339 -0.626 19079 6143 1 9 . 1 1 34 34 ASP HA H 34 4.194 4.194 4.375 -0.181 19079 6144 1 9 . 1 1 34 34 ASP C C 34 175.750 175.750 175.413 0.337 19079 6145 1 9 . 1 1 34 34 ASP CA C 34 55.269 55.269 55.536 -0.267 19079 6146 1 9 . 1 1 34 34 ASP CB C 34 40.525 40.525 39.598 0.927 19079 6147 1 9 . 1 1 34 34 ASP H H 34 7.927 7.927 7.632 0.295 19079 6148 1 9 . 1 1 35 35 LEU N N 35 119.485 119.485 119.021 0.464 19079 6149 1 9 . 1 1 35 35 LEU HA H 35 5.102 5.102 4.862 0.240 19079 6150 1 9 . 1 1 35 35 LEU C C 35 173.060 173.060 175.122 -2.062 19079 6151 1 9 . 1 1 35 35 LEU CA C 35 54.268 54.268 54.527 -0.259 19079 6152 1 9 . 1 1 35 35 LEU CB C 35 47.326 47.326 45.347 1.979 19079 6153 1 9 . 1 1 35 35 LEU H H 35 7.820 7.820 7.643 0.177 19079 6154 1 9 . 1 1 36 36 GLN N N 36 127.748 127.748 119.383 8.365 19079 6155 1 9 . 1 1 36 36 GLN HA H 36 4.790 4.790 4.725 0.065 19079 6156 1 9 . 1 1 36 36 GLN C C 36 173.161 173.161 174.310 -1.149 19079 6157 1 9 . 1 1 36 36 GLN CA C 36 55.286 55.286 53.954 1.332 19079 6158 1 9 . 1 1 36 36 GLN CB C 36 32.594 32.594 33.292 -0.698 19079 6159 1 9 . 1 1 36 36 GLN H H 36 9.050 9.050 8.955 0.095 19079 6160 1 9 . 1 1 37 37 ILE N N 37 125.606 125.606 121.580 4.026 19079 6161 1 9 . 1 1 37 37 ILE HA H 37 4.807 4.807 4.768 0.039 19079 6162 1 9 . 1 1 37 37 ILE C C 37 174.921 174.921 174.419 0.502 19079 6163 1 9 . 1 1 37 37 ILE CA C 37 59.869 59.869 59.740 0.129 19079 6164 1 9 . 1 1 37 37 ILE CB C 37 39.750 39.750 40.291 -0.541 19079 6165 1 9 . 1 1 37 37 ILE H H 37 8.828 8.828 8.135 0.693 19079 6166 1 9 . 1 1 38 38 ASP N N 38 128.163 128.163 125.968 2.195 19079 6167 1 9 . 1 1 38 38 ASP HA H 38 5.259 5.259 4.980 0.279 19079 6168 1 9 . 1 1 38 38 ASP C C 38 176.122 176.122 175.523 0.599 19079 6169 1 9 . 1 1 38 38 ASP CA C 38 52.316 52.316 51.478 0.838 19079 6170 1 9 . 1 1 38 38 ASP CB C 38 43.251 43.251 44.660 -1.409 19079 6171 1 9 . 1 1 38 38 ASP H H 38 9.226 9.226 8.712 0.514 19079 6172 1 9 . 1 1 39 39 GLY N N 39 107.273 107.273 106.677 0.596 19079 6173 1 9 . 1 1 39 39 GLY C C 39 171.808 171.808 172.972 -1.164 19079 6174 1 9 . 1 1 39 39 GLY CA C 39 45.108 45.108 44.371 0.737 19079 6175 1 9 . 1 1 39 39 GLY H H 39 8.682 8.682 8.461 0.221 19079 6176 1 9 . 1 1 40 40 CYS N N 40 114.602 114.602 119.384 -4.782 19079 6177 1 9 . 1 1 40 40 CYS HA H 40 4.832 4.832 4.614 0.218 19079 6178 1 9 . 1 1 40 40 CYS CA C 40 55.517 55.517 58.914 -3.397 19079 6179 1 9 . 1 1 40 40 CYS CB C 40 30.872 30.872 31.215 -0.343 19079 6180 1 9 . 1 1 40 40 CYS H H 40 7.784 7.784 8.200 -0.416 19079 6181 1 9 . 1 1 41 41 ASP N N 41 121.388 121.388 123.135 -1.747 19079 6182 1 9 . 1 1 41 41 ASP HA H 41 4.618 4.618 4.753 -0.135 19079 6183 1 9 . 1 1 41 41 ASP CA C 41 54.808 54.808 54.314 0.494 19079 6184 1 9 . 1 1 41 41 ASP CB C 41 41.299 41.299 41.074 0.225 19079 6185 1 9 . 1 1 41 41 ASP H H 41 8.496 8.496 8.504 -0.008 19079 6186 1 9 . 1 1 42 42 GLN N N 42 118.506 118.506 119.535 -1.029 19079 6187 1 9 . 1 1 42 42 GLN HA H 42 4.900 4.900 4.616 0.284 19079 6188 1 9 . 1 1 42 42 GLN CA C 42 52.529 52.529 53.414 -0.885 19079 6189 1 9 . 1 1 42 42 GLN CB C 42 30.580 30.580 28.905 1.675 19079 6190 1 9 . 1 1 42 42 GLN H H 42 7.592 7.592 7.824 -0.232 19079 6191 1 9 . 1 1 43 43 PRO HA H 43 4.438 4.438 4.467 -0.029 19079 6192 1 9 . 1 1 43 43 PRO CA C 43 63.283 63.283 62.911 0.372 19079 6193 1 9 . 1 1 43 43 PRO CB C 43 32.178 32.178 32.107 0.071 19079 6194 1 9 . 1 1 44 44 GLY N N 44 109.062 109.062 111.455 -2.393 19079 6195 1 9 . 1 1 44 44 GLY CA C 44 45.265 45.265 44.327 0.938 19079 6196 1 9 . 1 1 44 44 GLY H H 44 8.249 8.249 8.178 0.071 19079 6197 1 9 . 1 1 45 45 PRO HA H 45 4.535 4.535 4.399 0.136 19079 6198 1 9 . 1 1 45 45 PRO CA C 45 63.511 63.511 63.288 0.223 19079 6199 1 9 . 1 1 45 45 PRO CB C 45 33.193 33.193 31.881 1.312 19079 6200 1 9 . 1 1 46 46 ASP N N 46 121.254 121.254 122.159 -0.905 19079 6201 1 9 . 1 1 46 46 ASP HA H 46 4.784 4.784 4.478 0.306 19079 6202 1 9 . 1 1 46 46 ASP C C 46 174.555 174.555 175.018 -0.463 19079 6203 1 9 . 1 1 46 46 ASP CA C 46 55.268 55.268 56.083 -0.815 19079 6204 1 9 . 1 1 46 46 ASP CB C 46 43.360 43.360 40.810 2.550 19079 6205 1 9 . 1 1 46 46 ASP H H 46 8.533 8.533 8.458 0.075 19079 6206 1 9 . 1 1 47 47 ASN N N 47 118.452 118.452 121.586 -3.134 19079 6207 1 9 . 1 1 47 47 ASN HA H 47 4.912 4.912 4.873 0.039 19079 6208 1 9 . 1 1 47 47 ASN C C 47 172.394 172.394 174.418 -2.024 19079 6209 1 9 . 1 1 47 47 ASN CA C 47 52.877 52.877 52.139 0.738 19079 6210 1 9 . 1 1 47 47 ASN CB C 47 42.185 42.185 39.820 2.365 19079 6211 1 9 . 1 1 47 47 ASN H H 47 8.668 8.668 8.366 0.302 19079 6212 1 9 . 1 1 48 48 ILE N N 48 126.910 126.910 125.113 1.797 19079 6213 1 9 . 1 1 48 48 ILE HA H 48 5.269 5.269 3.974 1.295 19079 6214 1 9 . 1 1 48 48 ILE CA C 48 57.457 57.457 61.019 -3.562 19079 6215 1 9 . 1 1 48 48 ILE CB C 48 39.411 39.411 37.461 1.950 19079 6216 1 9 . 1 1 48 48 ILE H H 48 8.377 8.377 8.327 0.050 19079 6217 1 9 . 1 1 49 49 PRO HA H 49 4.571 4.571 4.449 0.122 19079 6218 1 9 . 1 1 49 49 PRO CA C 49 62.019 62.019 62.443 -0.424 19079 6219 1 9 . 1 1 49 49 PRO CB C 49 34.068 34.068 32.620 1.448 19079 6220 1 9 . 1 1 50 50 ASP N N 50 117.512 117.512 117.624 -0.112 19079 6221 1 9 . 1 1 50 50 ASP HA H 50 4.847 4.847 4.946 -0.099 19079 6222 1 9 . 1 1 50 50 ASP C C 50 175.105 175.105 175.217 -0.112 19079 6223 1 9 . 1 1 50 50 ASP CA C 50 52.186 52.186 53.762 -1.576 19079 6224 1 9 . 1 1 50 50 ASP CB C 50 40.206 40.206 41.182 -0.976 19079 6225 1 9 . 1 1 50 50 ASP H H 50 7.928 7.928 8.637 -0.709 19079 6226 1 9 . 1 1 51 51 CYS N N 51 117.841 117.841 117.519 0.322 19079 6227 1 9 . 1 1 51 51 CYS HA H 51 4.645 4.645 4.871 -0.226 19079 6228 1 9 . 1 1 51 51 CYS C C 51 173.952 173.952 172.982 0.970 19079 6229 1 9 . 1 1 51 51 CYS CA C 51 57.079 57.079 57.775 -0.696 19079 6230 1 9 . 1 1 51 51 CYS CB C 51 31.834 31.834 30.005 1.829 19079 6231 1 9 . 1 1 51 51 CYS H H 51 6.998 6.998 7.793 -0.795 19079 6232 1 9 . 1 1 52 52 ASP N N 52 113.831 113.831 125.728 -11.897 19079 6233 1 9 . 1 1 52 52 ASP HA H 52 4.790 4.790 4.724 0.066 19079 6234 1 9 . 1 1 52 52 ASP C C 52 177.522 177.522 175.673 1.849 19079 6235 1 9 . 1 1 52 52 ASP CA C 52 52.266 52.266 53.158 -0.892 19079 6236 1 9 . 1 1 52 52 ASP CB C 52 41.108 41.108 40.565 0.543 19079 6237 1 9 . 1 1 52 52 ASP H H 52 7.839 7.839 8.447 -0.608 19079 6238 1 9 . 1 1 53 53 CYS N N 53 120.924 120.924 122.425 -1.501 19079 6239 1 9 . 1 1 53 53 CYS HA H 53 4.176 4.176 4.356 -0.180 19079 6240 1 9 . 1 1 53 53 CYS C C 53 177.320 177.320 175.678 1.642 19079 6241 1 9 . 1 1 53 53 CYS CA C 53 62.456 62.456 58.614 3.841 19079 6242 1 9 . 1 1 53 53 CYS CB C 53 31.077 31.077 27.843 3.234 19079 6243 1 9 . 1 1 53 53 CYS H H 53 8.180 8.180 8.383 -0.203 19079 6244 1 9 . 1 1 54 54 THR N N 54 108.381 108.381 111.593 -3.212 19079 6245 1 9 . 1 1 54 54 THR HA H 54 4.168 4.168 4.401 -0.233 19079 6246 1 9 . 1 1 54 54 THR C C 54 172.044 172.044 174.924 -2.880 19079 6247 1 9 . 1 1 54 54 THR CA C 54 60.645 60.645 63.781 -3.136 19079 6248 1 9 . 1 1 54 54 THR CB C 54 69.425 69.425 69.714 -0.289 19079 6249 1 9 . 1 1 54 54 THR H H 54 8.728 8.728 8.057 0.671 19079 6250 1 9 . 1 1 55 55 SER N N 55 114.465 114.465 119.720 -5.255 19079 6251 1 9 . 1 1 55 55 SER HA H 55 4.906 4.906 4.820 0.086 19079 6252 1 9 . 1 1 55 55 SER C C 55 172.897 172.897 174.464 -1.567 19079 6253 1 9 . 1 1 55 55 SER CA C 55 56.279 56.279 57.308 -1.029 19079 6254 1 9 . 1 1 55 55 SER CB C 55 66.156 66.156 63.230 2.926 19079 6255 1 9 . 1 1 55 55 SER H H 55 7.433 7.433 7.950 -0.517 19079 6256 1 9 . 1 1 56 56 GLY N N 56 106.492 106.492 112.515 -6.023 19079 6257 1 9 . 1 1 56 56 GLY C C 56 172.400 172.400 172.521 -0.121 19079 6258 1 9 . 1 1 56 56 GLY CA C 56 46.778 46.778 44.010 2.768 19079 6259 1 9 . 1 1 56 56 GLY H H 56 8.431 8.431 8.385 0.046 19079 6260 1 9 . 1 1 57 57 CYS N N 57 123.907 123.907 117.653 6.254 19079 6261 1 9 . 1 1 57 57 CYS HA H 57 5.755 5.755 5.702 0.053 19079 6262 1 9 . 1 1 57 57 CYS C C 57 171.012 171.012 173.149 -2.137 19079 6263 1 9 . 1 1 57 57 CYS CA C 57 54.317 54.317 56.748 -2.431 19079 6264 1 9 . 1 1 57 57 CYS CB C 57 32.040 32.040 30.400 1.640 19079 6265 1 9 . 1 1 57 57 CYS H H 57 9.782 9.782 8.764 1.018 19079 6266 1 9 . 1 1 58 58 TYR N N 58 121.251 121.251 122.044 -0.793 19079 6267 1 9 . 1 1 58 58 TYR HA H 58 6.413 6.413 5.718 0.695 19079 6268 1 9 . 1 1 58 58 TYR C C 58 172.177 172.177 173.463 -1.286 19079 6269 1 9 . 1 1 58 58 TYR CA C 58 54.179 54.179 54.330 -0.151 19079 6270 1 9 . 1 1 58 58 TYR CB C 58 44.751 44.751 41.898 2.853 19079 6271 1 9 . 1 1 58 58 TYR H H 58 9.324 9.324 8.991 0.333 19079 6272 1 9 . 1 1 59 59 TYR N N 59 119.921 119.921 125.267 -5.346 19079 6273 1 9 . 1 1 59 59 TYR HA H 59 3.155 3.155 3.590 -0.435 19079 6274 1 9 . 1 1 59 59 TYR C C 59 173.490 173.490 174.416 -0.926 19079 6275 1 9 . 1 1 59 59 TYR CA C 59 56.439 56.439 56.923 -0.484 19079 6276 1 9 . 1 1 59 59 TYR CB C 59 38.280 38.280 37.173 1.107 19079 6277 1 9 . 1 1 59 59 TYR H H 59 7.851 7.851 7.660 0.191 19079 6278 1 9 . 1 1 60 60 SER N N 60 122.333 122.333 122.367 -0.034 19079 6279 1 9 . 1 1 60 60 SER HA H 60 4.286 4.286 4.323 -0.037 19079 6280 1 9 . 1 1 60 60 SER C C 60 174.282 174.282 175.228 -0.946 19079 6281 1 9 . 1 1 60 60 SER CA C 60 54.201 54.201 56.975 -2.774 19079 6282 1 9 . 1 1 60 60 SER CB C 60 63.429 63.429 63.809 -0.379 19079 6283 1 9 . 1 1 60 60 SER H H 60 7.184 7.184 8.261 -1.077 19079 6284 1 9 . 1 1 61 61 ARG N N 61 131.876 131.876 129.207 2.669 19079 6285 1 9 . 1 1 61 61 ARG HA H 61 3.755 3.755 4.232 -0.477 19079 6286 1 9 . 1 1 61 61 ARG C C 61 179.454 179.454 177.977 1.477 19079 6287 1 9 . 1 1 61 61 ARG CA C 61 58.733 58.733 57.934 0.799 19079 6288 1 9 . 1 1 61 61 ARG CB C 61 29.216 29.216 30.163 -0.947 19079 6289 1 9 . 1 1 61 61 ARG H H 61 9.058 9.058 8.947 0.111 19079 6290 1 9 . 1 1 62 62 SER N N 62 115.806 115.806 113.800 2.006 19079 6291 1 9 . 1 1 62 62 SER HA H 62 4.021 4.021 4.304 -0.283 19079 6292 1 9 . 1 1 62 62 SER C C 62 177.405 177.405 174.845 2.560 19079 6293 1 9 . 1 1 62 62 SER CA C 62 60.787 60.787 60.981 -0.194 19079 6294 1 9 . 1 1 62 62 SER CB C 62 60.994 60.994 63.574 -2.580 19079 6295 1 9 . 1 1 62 62 SER H H 62 8.933 8.933 8.293 0.640 19079 6296 1 9 . 1 1 63 63 LEU N N 63 120.142 120.142 119.238 0.904 19079 6297 1 9 . 1 1 63 63 LEU HA H 63 4.315 4.315 4.603 -0.288 19079 6298 1 9 . 1 1 63 63 LEU C C 63 175.462 175.462 176.532 -1.070 19079 6299 1 9 . 1 1 63 63 LEU CA C 63 54.589 54.589 54.101 0.488 19079 6300 1 9 . 1 1 63 63 LEU CB C 63 41.583 41.583 42.456 -0.873 19079 6301 1 9 . 1 1 63 63 LEU H H 63 7.372 7.372 7.220 0.152 19079 6302 1 9 . 1 1 64 64 ASP N N 64 124.723 124.723 119.933 4.790 19079 6303 1 9 . 1 1 64 64 ASP HA H 64 4.308 4.308 4.450 -0.142 19079 6304 1 9 . 1 1 64 64 ASP C C 64 174.405 174.405 174.702 -0.297 19079 6305 1 9 . 1 1 64 64 ASP CA C 64 54.269 54.269 55.370 -1.101 19079 6306 1 9 . 1 1 64 64 ASP CB C 64 39.892 39.892 40.269 -0.377 19079 6307 1 9 . 1 1 64 64 ASP H H 64 8.122 8.122 7.970 0.152 19079 6308 1 9 . 1 1 65 65 ARG N N 65 111.932 111.932 113.747 -1.815 19079 6309 1 9 . 1 1 65 65 ARG HA H 65 4.648 4.648 4.159 0.489 19079 6310 1 9 . 1 1 65 65 ARG C C 65 172.842 172.842 173.944 -1.102 19079 6311 1 9 . 1 1 65 65 ARG CA C 65 54.327 54.327 54.740 -0.413 19079 6312 1 9 . 1 1 65 65 ARG CB C 65 33.013 33.013 31.486 1.527 19079 6313 1 9 . 1 1 65 65 ARG H H 65 7.434 7.434 8.165 -0.731 19079 6314 1 9 . 1 1 66 66 TYR N N 66 121.286 121.286 122.036 -0.750 19079 6315 1 9 . 1 1 66 66 TYR HA H 66 4.821 4.821 4.576 0.245 19079 6316 1 9 . 1 1 66 66 TYR C C 66 176.123 176.123 176.332 -0.209 19079 6317 1 9 . 1 1 66 66 TYR CA C 66 56.752 56.752 59.248 -2.496 19079 6318 1 9 . 1 1 66 66 TYR CB C 66 41.877 41.877 38.867 3.010 19079 6319 1 9 . 1 1 66 66 TYR H H 66 8.068 8.068 8.264 -0.196 19079 6320 1 9 . 1 1 67 67 ILE N N 67 119.080 119.080 119.912 -0.832 19079 6321 1 9 . 1 1 67 67 ILE HA H 67 4.620 4.620 4.816 -0.196 19079 6322 1 9 . 1 1 67 67 ILE CA C 67 57.840 57.840 57.197 0.643 19079 6323 1 9 . 1 1 67 67 ILE CB C 67 41.191 41.191 41.440 -0.249 19079 6324 1 9 . 1 1 67 67 ILE H H 67 8.640 8.640 8.663 -0.023 19079 6325 1 9 . 1 1 68 68 PRO HA H 68 4.772 4.772 4.936 -0.164 19079 6326 1 9 . 1 1 68 68 PRO CA C 68 62.709 62.709 62.682 0.027 19079 6327 1 9 . 1 1 68 68 PRO CB C 68 32.923 32.923 31.221 1.702 19079 6328 1 9 . 1 1 69 69 VAL N N 69 120.668 120.668 116.827 3.841 19079 6329 1 9 . 1 1 69 69 VAL HA H 69 4.764 4.764 4.572 0.192 19079 6330 1 9 . 1 1 69 69 VAL C C 69 171.299 171.299 173.730 -2.431 19079 6331 1 9 . 1 1 69 69 VAL CA C 69 60.758 60.758 59.343 1.415 19079 6332 1 9 . 1 1 69 69 VAL CB C 69 36.158 36.158 35.828 0.330 19079 6333 1 9 . 1 1 69 69 VAL H H 69 8.866 8.866 8.708 0.158 19079 6334 1 9 . 1 1 70 70 GLU N N 70 127.352 127.352 121.071 6.281 19079 6335 1 9 . 1 1 70 70 GLU HA H 70 4.694 4.694 4.995 -0.301 19079 6336 1 9 . 1 1 70 70 GLU C C 70 176.084 176.084 175.134 0.950 19079 6337 1 9 . 1 1 70 70 GLU CA C 70 55.438 55.438 55.112 0.326 19079 6338 1 9 . 1 1 70 70 GLU CB C 70 31.941 31.941 31.807 0.134 19079 6339 1 9 . 1 1 70 70 GLU H H 70 8.303 8.303 8.510 -0.207 19079 6340 1 9 . 1 1 71 71 CYS N N 71 118.985 118.985 124.165 -5.180 19079 6341 1 9 . 1 1 71 71 CYS HA H 71 5.283 5.283 5.012 0.271 19079 6342 1 9 . 1 1 71 71 CYS C C 71 173.987 173.987 173.688 0.299 19079 6343 1 9 . 1 1 71 71 CYS CA C 71 56.927 56.927 57.033 -0.106 19079 6344 1 9 . 1 1 71 71 CYS CB C 71 32.056 32.056 31.728 0.328 19079 6345 1 9 . 1 1 71 71 CYS H H 71 8.044 8.044 8.857 -0.813 19079 6346 1 9 . 1 1 72 72 GLU N N 72 119.188 119.188 119.935 -0.747 19079 6347 1 9 . 1 1 72 72 GLU HA H 72 4.550 4.550 4.505 0.045 19079 6348 1 9 . 1 1 72 72 GLU C C 72 175.540 175.540 174.850 0.690 19079 6349 1 9 . 1 1 72 72 GLU CA C 72 54.422 54.422 54.263 0.159 19079 6350 1 9 . 1 1 72 72 GLU CB C 72 32.723 32.723 30.645 2.078 19079 6351 1 9 . 1 1 72 72 GLU H H 72 8.651 8.651 8.870 -0.219 19079 6352 1 9 . 1 1 73 73 ALA N N 73 128.127 128.127 127.581 0.546 19079 6353 1 9 . 1 1 73 73 ALA HA H 73 4.894 4.894 4.453 0.441 19079 6354 1 9 . 1 1 73 73 ALA C C 73 177.065 177.065 176.772 0.293 19079 6355 1 9 . 1 1 73 73 ALA CA C 73 51.934 51.934 52.165 -0.231 19079 6356 1 9 . 1 1 73 73 ALA CB C 73 19.744 19.744 19.425 0.318 19079 6357 1 9 . 1 1 73 73 ALA H H 73 8.825 8.825 8.501 0.324 19079 6358 1 9 . 1 1 74 74 HIS N N 74 120.049 120.049 123.595 -3.546 19079 6359 1 9 . 1 1 74 74 HIS HA H 74 4.730 4.730 4.651 0.079 19079 6360 1 9 . 1 1 74 74 HIS C C 74 173.973 173.973 175.212 -1.239 19079 6361 1 9 . 1 1 74 74 HIS CA C 74 54.940 54.940 55.358 -0.418 19079 6362 1 9 . 1 1 74 74 HIS CB C 74 32.641 32.641 33.085 -0.444 19079 6363 1 9 . 1 1 74 74 HIS H H 74 8.813 8.813 8.715 0.098 19079 6364 1 9 . 1 1 75 75 ASP N N 75 125.469 125.469 124.528 0.941 19079 6365 1 9 . 1 1 75 75 ASP HA H 75 4.619 4.619 4.478 0.141 19079 6366 1 9 . 1 1 75 75 ASP CA C 75 57.576 57.576 57.455 0.121 19079 6367 1 9 . 1 1 75 75 ASP CB C 75 42.215 42.215 41.358 0.857 19079 6368 1 9 . 1 1 75 75 ASP H H 75 8.951 8.951 8.917 0.034 19079 6369 1 9 . 1 1 76 76 TRP N N 76 113.768 113.768 113.780 -0.012 19079 6370 1 9 . 1 1 76 76 TRP HA H 76 5.455 5.455 5.067 0.388 19079 6371 1 9 . 1 1 76 76 TRP CA C 76 54.833 54.833 56.626 -1.793 19079 6372 1 9 . 1 1 76 76 TRP CB C 76 31.701 31.701 30.540 1.161 19079 6373 1 9 . 1 1 76 76 TRP H H 76 7.574 7.574 7.448 0.126 19079 6374 1 9 . 1 1 77 77 TYR N N 77 122.650 122.650 121.228 1.422 19079 6375 1 9 . 1 1 77 77 TYR CA C 77 57.248 57.248 55.181 2.067 19079 6376 1 9 . 1 1 77 77 TYR CB C 77 33.700 33.700 41.414 -7.714 19079 6377 1 9 . 1 1 77 77 TYR H H 77 8.981 8.981 8.287 0.694 19079 6378 1 9 . 1 1 78 78 PRO HA H 78 4.493 4.493 4.553 -0.060 19079 6379 1 9 . 1 1 78 78 PRO CA C 78 62.242 62.242 62.917 -0.675 19079 6380 1 9 . 1 1 78 78 PRO CB C 78 31.237 31.237 32.412 -1.175 19079 6381 1 9 . 1 1 79 79 VAL N N 79 123.871 123.871 122.580 1.291 19079 6382 1 9 . 1 1 79 79 VAL HA H 79 3.953 3.953 4.439 -0.486 19079 6383 1 9 . 1 1 79 79 VAL C C 79 174.991 174.991 174.810 0.181 19079 6384 1 9 . 1 1 79 79 VAL CA C 79 61.545 61.545 61.040 0.505 19079 6385 1 9 . 1 1 79 79 VAL CB C 79 33.090 33.090 35.611 -2.521 19079 6386 1 9 . 1 1 79 79 VAL H H 79 8.512 8.512 8.844 -0.332 19079 6387 1 9 . 1 1 80 80 GLU N N 80 124.050 124.050 126.268 -2.218 19079 6388 1 9 . 1 1 80 80 GLU HA H 80 4.072 4.072 4.536 -0.464 19079 6389 1 9 . 1 1 80 80 GLU C C 80 175.607 175.607 175.689 -0.082 19079 6390 1 9 . 1 1 80 80 GLU CA C 80 56.291 56.291 54.712 1.579 19079 6391 1 9 . 1 1 80 80 GLU CB C 80 30.272 30.272 30.568 -0.296 19079 6392 1 9 . 1 1 80 80 GLU H H 80 8.068 8.068 8.697 -0.629 19079 6393 1 9 . 1 1 81 81 GLU N N 81 120.701 120.701 123.320 -2.619 19079 6394 1 9 . 1 1 81 81 GLU HA H 81 4.194 4.194 4.190 0.004 19079 6395 1 9 . 1 1 81 81 GLU C C 81 175.817 175.817 176.881 -1.064 19079 6396 1 9 . 1 1 81 81 GLU CA C 81 57.390 57.390 57.443 -0.053 19079 6397 1 9 . 1 1 81 81 GLU CB C 81 30.713 30.713 29.397 1.316 19079 6398 1 9 . 1 1 81 81 GLU H H 81 8.751 8.751 8.649 0.102 19079 6399 1 9 . 1 1 82 82 THR N N 82 115.162 115.162 120.112 -4.950 19079 6400 1 9 . 1 1 82 82 THR HA H 82 4.688 4.688 4.574 0.114 19079 6401 1 9 . 1 1 82 82 THR CA C 82 60.041 60.041 60.975 -0.934 19079 6402 1 9 . 1 1 82 82 THR CB C 82 73.866 73.866 69.052 4.814 19079 6403 1 9 . 1 1 82 82 THR H H 82 8.631 8.631 8.491 0.140 19079 6404 1 9 . 1 1 83 83 GLN N N 83 116.650 116.650 121.258 -4.608 19079 6405 1 9 . 1 1 83 83 GLN HA H 83 4.629 4.629 3.847 0.782 19079 6406 1 9 . 1 1 83 83 GLN CA C 83 57.643 57.643 58.815 -1.172 19079 6407 1 9 . 1 1 83 83 GLN CB C 83 30.537 30.537 27.182 3.355 19079 6408 1 9 . 1 1 83 83 GLN H H 83 8.714 8.714 8.513 0.201 19079 6409 1 9 . 1 1 86 86 PRO HA H 86 4.779 4.779 4.391 0.388 19079 6410 1 9 . 1 1 86 86 PRO CA C 86 62.018 62.018 61.889 0.129 19079 6411 1 9 . 1 1 86 86 PRO CB C 86 32.818 32.818 33.158 -0.340 19079 6412 1 9 . 1 1 87 87 LYS N N 87 123.136 123.136 121.271 1.865 19079 6413 1 9 . 1 1 87 87 LYS HA H 87 4.545 4.545 4.411 0.134 19079 6414 1 9 . 1 1 87 87 LYS C C 87 176.411 176.411 176.157 0.254 19079 6415 1 9 . 1 1 87 87 LYS CA C 87 57.800 57.800 56.775 1.025 19079 6416 1 9 . 1 1 87 87 LYS CB C 87 32.322 32.322 31.844 0.478 19079 6417 1 9 . 1 1 87 87 LYS H H 87 8.936 8.936 8.324 0.612 19079 6418 1 9 . 1 1 88 88 HIS N N 88 119.788 119.788 122.806 -3.018 19079 6419 1 9 . 1 1 88 88 HIS HA H 88 4.973 4.973 4.604 0.369 19079 6420 1 9 . 1 1 88 88 HIS C C 88 171.431 171.431 172.867 -1.436 19079 6421 1 9 . 1 1 88 88 HIS CA C 88 55.171 55.171 55.563 -0.392 19079 6422 1 9 . 1 1 88 88 HIS CB C 88 29.695 29.695 33.572 -3.877 19079 6423 1 9 . 1 1 88 88 HIS H H 88 8.490 8.490 8.478 0.012 19079 6424 1 9 . 1 1 89 89 ILE N N 89 120.371 120.371 120.015 0.356 19079 6425 1 9 . 1 1 89 89 ILE HA H 89 4.453 4.453 4.750 -0.297 19079 6426 1 9 . 1 1 89 89 ILE C C 89 176.167 176.167 174.685 1.482 19079 6427 1 9 . 1 1 89 89 ILE CA C 89 60.066 60.066 58.900 1.166 19079 6428 1 9 . 1 1 89 89 ILE CB C 89 38.855 38.855 38.715 0.140 19079 6429 1 9 . 1 1 89 89 ILE H H 89 8.417 8.417 8.159 0.258 19079 6430 1 9 . 1 1 90 90 GLN N N 90 122.913 122.913 123.733 -0.820 19079 6431 1 9 . 1 1 90 90 GLN HA H 90 5.313 5.313 4.129 1.184 19079 6432 1 9 . 1 1 90 90 GLN CA C 90 54.194 54.194 54.661 -0.467 19079 6433 1 9 . 1 1 90 90 GLN CB C 90 32.780 32.780 31.622 1.158 19079 6434 1 9 . 1 1 90 90 GLN H H 90 8.286 8.286 8.511 -0.225 19079 6435 1 9 . 1 1 91 91 TYR N N 91 117.779 117.779 115.884 1.895 19079 6436 1 9 . 1 1 91 91 TYR HA H 91 5.394 5.394 5.230 0.164 19079 6437 1 9 . 1 1 91 91 TYR C C 91 175.762 175.762 175.565 0.197 19079 6438 1 9 . 1 1 91 91 TYR CA C 91 56.672 56.672 56.136 0.536 19079 6439 1 9 . 1 1 91 91 TYR CB C 91 41.701 41.701 42.051 -0.350 19079 6440 1 9 . 1 1 91 91 TYR H H 91 8.086 8.086 8.464 -0.378 19079 6441 1 9 . 1 1 92 92 ASN N N 92 113.182 113.182 116.019 -2.837 19079 6442 1 9 . 1 1 92 92 ASN HA H 92 4.558 4.558 4.474 0.084 19079 6443 1 9 . 1 1 92 92 ASN C C 92 172.369 172.369 173.799 -1.430 19079 6444 1 9 . 1 1 92 92 ASN CA C 92 55.522 55.522 54.406 1.116 19079 6445 1 9 . 1 1 92 92 ASN CB C 92 37.732 37.732 36.547 1.185 19079 6446 1 9 . 1 1 92 92 ASN H H 92 8.529 8.529 8.888 -0.359 19079 6447 1 9 . 1 1 93 93 LEU N N 93 117.359 117.359 118.903 -1.544 19079 6448 1 9 . 1 1 93 93 LEU HA H 93 5.455 5.455 5.438 0.017 19079 6449 1 9 . 1 1 93 93 LEU C C 93 177.709 177.709 175.688 2.021 19079 6450 1 9 . 1 1 93 93 LEU CA C 93 54.341 54.341 53.703 0.638 19079 6451 1 9 . 1 1 93 93 LEU CB C 93 47.006 47.006 46.374 0.631 19079 6452 1 9 . 1 1 93 93 LEU H H 93 7.846 7.846 8.392 -0.546 19079 6453 1 9 . 1 1 94 94 LEU N N 94 123.298 123.298 120.860 2.438 19079 6454 1 9 . 1 1 94 94 LEU HA H 94 5.014 5.014 4.946 0.068 19079 6455 1 9 . 1 1 94 94 LEU C C 94 175.771 175.771 175.744 0.027 19079 6456 1 9 . 1 1 94 94 LEU CA C 94 53.889 53.889 54.376 -0.487 19079 6457 1 9 . 1 1 94 94 LEU CB C 94 44.784 44.784 44.640 0.144 19079 6458 1 9 . 1 1 94 94 LEU H H 94 9.155 9.155 8.171 0.984 19079 6459 1 9 . 1 1 95 95 ILE N N 95 121.585 121.585 124.448 -2.863 19079 6460 1 9 . 1 1 95 95 ILE HA H 95 5.166 5.166 4.762 0.404 19079 6461 1 9 . 1 1 95 95 ILE C C 95 175.885 175.885 175.511 0.374 19079 6462 1 9 . 1 1 95 95 ILE CA C 95 59.795 59.795 59.482 0.313 19079 6463 1 9 . 1 1 95 95 ILE CB C 95 39.820 39.820 38.997 0.823 19079 6464 1 9 . 1 1 95 95 ILE H H 95 8.920 8.920 7.812 1.108 19079 6465 1 9 . 1 1 96 96 GLY N N 96 115.891 115.891 115.150 0.741 19079 6466 1 9 . 1 1 96 96 GLY C C 96 171.937 171.937 172.540 -0.603 19079 6467 1 9 . 1 1 96 96 GLY CA C 96 44.865 44.865 44.343 0.522 19079 6468 1 9 . 1 1 96 96 GLY H H 96 9.223 9.223 9.111 0.112 19079 6469 1 9 . 1 1 97 97 GLU N N 97 119.340 119.340 125.389 -6.049 19079 6470 1 9 . 1 1 97 97 GLU HA H 97 4.831 4.831 4.053 0.778 19079 6471 1 9 . 1 1 97 97 GLU C C 97 175.567 175.567 176.026 -0.459 19079 6472 1 9 . 1 1 97 97 GLU CA C 97 55.736 55.736 56.501 -0.765 19079 6473 1 9 . 1 1 97 97 GLU CB C 97 31.009 31.009 29.804 1.205 19079 6474 1 9 . 1 1 97 97 GLU H H 97 8.197 8.197 8.544 -0.347 19079 6475 1 9 . 1 1 98 98 GLY N N 98 113.912 113.912 113.308 0.604 19079 6476 1 9 . 1 1 98 98 GLY CA C 98 45.089 45.089 43.781 1.308 19079 6477 1 9 . 1 1 98 98 GLY H H 98 7.767 7.767 7.495 0.272 19079 6478 1 9 . 1 1 99 99 PRO HA H 99 4.347 4.347 4.590 -0.243 19079 6479 1 9 . 1 1 99 99 PRO CA C 99 62.396 62.396 62.467 -0.070 19079 6480 1 9 . 1 1 99 99 PRO CB C 99 32.558 32.558 32.816 -0.259 19079 6481 1 9 . 1 1 100 100 CYS N N 100 122.972 122.972 120.104 2.868 19079 6482 1 9 . 1 1 100 100 CYS HA H 100 4.567 4.567 4.693 -0.126 19079 6483 1 9 . 1 1 100 100 CYS C C 100 172.077 172.077 174.483 -2.406 19079 6484 1 9 . 1 1 100 100 CYS CA C 100 60.097 60.097 56.790 3.307 19079 6485 1 9 . 1 1 100 100 CYS CB C 100 28.063 28.063 27.600 0.463 19079 6486 1 9 . 1 1 100 100 CYS H H 100 8.219 8.219 8.203 0.016 19079 6487 1 9 . 1 1 101 101 VAL N N 101 123.973 123.973 124.301 -0.328 19079 6488 1 9 . 1 1 101 101 VAL HA H 101 4.888 4.888 4.127 0.761 19079 6489 1 9 . 1 1 101 101 VAL CA C 101 58.947 58.947 61.783 -2.836 19079 6490 1 9 . 1 1 101 101 VAL CB C 101 32.322 32.322 32.602 -0.280 19079 6491 1 9 . 1 1 101 101 VAL H H 101 8.662 8.662 8.020 0.642 19079 6492 1 9 . 1 1 103 103 GLY C C 103 175.333 175.333 174.404 0.929 19079 6493 1 9 . 1 1 103 103 GLY CA C 103 45.683 45.683 45.194 0.489 19079 6494 1 9 . 1 1 104 104 ASP N N 104 121.740 121.740 122.341 -0.601 19079 6495 1 9 . 1 1 104 104 ASP HA H 104 4.836 4.836 4.478 0.358 19079 6496 1 9 . 1 1 104 104 ASP C C 104 176.601 176.601 175.742 0.859 19079 6497 1 9 . 1 1 104 104 ASP CA C 104 54.700 54.700 55.259 -0.559 19079 6498 1 9 . 1 1 104 104 ASP CB C 104 41.322 41.322 41.183 0.139 19079 6499 1 9 . 1 1 104 104 ASP H H 104 8.217 8.217 7.955 0.262 19079 6500 1 9 . 1 1 105 105 ALA N N 105 121.750 121.750 120.853 0.897 19079 6501 1 9 . 1 1 105 105 ALA HA H 105 3.707 3.707 3.915 -0.208 19079 6502 1 9 . 1 1 105 105 ALA C C 105 175.218 175.218 177.497 -2.279 19079 6503 1 9 . 1 1 105 105 ALA CA C 105 54.002 54.002 53.541 0.461 19079 6504 1 9 . 1 1 105 105 ALA CB C 105 18.021 18.021 18.621 -0.600 19079 6505 1 9 . 1 1 105 105 ALA H H 105 7.672 7.672 8.128 -0.456 19079 6506 1 9 . 1 1 106 106 GLY N N 106 110.675 110.675 110.597 0.078 19079 6507 1 9 . 1 1 106 106 GLY C C 106 174.112 174.112 174.680 -0.568 19079 6508 1 9 . 1 1 106 106 GLY CA C 106 45.354 45.354 44.681 0.673 19079 6509 1 9 . 1 1 106 106 GLY H H 106 8.781 8.781 7.981 0.800 19079 6510 1 9 . 1 1 107 107 GLY N N 107 104.052 104.052 110.035 -5.983 19079 6511 1 9 . 1 1 107 107 GLY C C 107 173.970 173.970 174.458 -0.488 19079 6512 1 9 . 1 1 107 107 GLY CA C 107 46.405 46.405 45.035 1.370 19079 6513 1 9 . 1 1 107 107 GLY H H 107 7.727 7.727 7.681 0.046 19079 6514 1 9 . 1 1 108 108 LYS N N 108 122.212 122.212 125.285 -3.073 19079 6515 1 9 . 1 1 108 108 LYS HA H 108 4.442 4.442 4.288 0.154 19079 6516 1 9 . 1 1 108 108 LYS C C 108 175.056 175.056 175.754 -0.698 19079 6517 1 9 . 1 1 108 108 LYS CA C 108 58.497 58.497 56.847 1.650 19079 6518 1 9 . 1 1 108 108 LYS CB C 108 36.053 36.053 33.328 2.725 19079 6519 1 9 . 1 1 108 108 LYS H H 108 8.553 8.553 8.434 0.119 19079 6520 1 9 . 1 1 109 109 LEU N N 109 119.300 119.300 128.052 -8.752 19079 6521 1 9 . 1 1 109 109 LEU HA H 109 4.881 4.881 5.259 -0.378 19079 6522 1 9 . 1 1 109 109 LEU C C 109 175.017 175.017 174.587 0.430 19079 6523 1 9 . 1 1 109 109 LEU CA C 109 53.372 53.372 53.844 -0.472 19079 6524 1 9 . 1 1 109 109 LEU CB C 109 43.275 43.275 43.736 -0.461 19079 6525 1 9 . 1 1 109 109 LEU H H 109 8.065 8.065 9.014 -0.949 19079 6526 1 9 . 1 1 110 110 LEU N N 110 126.757 126.757 127.714 -0.957 19079 6527 1 9 . 1 1 110 110 LEU HA H 110 5.498 5.498 4.986 0.512 19079 6528 1 9 . 1 1 110 110 LEU C C 110 176.125 176.125 175.951 0.174 19079 6529 1 9 . 1 1 110 110 LEU CA C 110 55.318 55.318 54.158 1.160 19079 6530 1 9 . 1 1 110 110 LEU CB C 110 44.799 44.799 44.455 0.344 19079 6531 1 9 . 1 1 110 110 LEU H H 110 9.450 9.450 9.113 0.337 19079 6532 1 9 . 1 1 111 111 CYS N N 111 118.897 118.897 120.546 -1.649 19079 6533 1 9 . 1 1 111 111 CYS HA H 111 5.254 5.254 4.826 0.428 19079 6534 1 9 . 1 1 111 111 CYS C C 111 177.063 177.063 175.786 1.277 19079 6535 1 9 . 1 1 111 111 CYS CA C 111 57.201 57.201 56.449 0.752 19079 6536 1 9 . 1 1 111 111 CYS CB C 111 32.532 32.532 30.854 1.678 19079 6537 1 9 . 1 1 111 111 CYS H H 111 8.575 8.575 8.707 -0.132 19079 6538 1 9 . 1 1 112 112 ARG N N 112 116.382 116.382 120.101 -3.719 19079 6539 1 9 . 1 1 112 112 ARG HA H 112 3.918 3.918 3.903 0.015 19079 6540 1 9 . 1 1 112 112 ARG C C 112 176.892 176.892 177.462 -0.570 19079 6541 1 9 . 1 1 112 112 ARG CA C 112 59.714 59.714 58.623 1.091 19079 6542 1 9 . 1 1 112 112 ARG CB C 112 29.874 29.874 29.297 0.577 19079 6543 1 9 . 1 1 112 112 ARG H H 112 8.350 8.350 8.605 -0.255 19079 6544 1 9 . 1 1 113 113 HIS N N 113 121.579 121.579 114.164 7.415 19079 6545 1 9 . 1 1 113 113 HIS HA H 113 4.480 4.480 4.701 -0.221 19079 6546 1 9 . 1 1 113 113 HIS C C 113 175.439 175.439 175.691 -0.252 19079 6547 1 9 . 1 1 113 113 HIS CA C 113 58.739 58.739 56.346 2.393 19079 6548 1 9 . 1 1 113 113 HIS CB C 113 31.050 31.050 30.789 0.261 19079 6549 1 9 . 1 1 113 113 HIS H H 113 10.445 10.445 7.187 3.258 19079 6550 1 9 . 1 1 114 114 GLY N N 114 108.273 108.273 105.433 2.840 19079 6551 1 9 . 1 1 114 114 GLY C C 114 169.307 169.307 173.080 -3.773 19079 6552 1 9 . 1 1 114 114 GLY CA C 114 45.413 45.413 44.869 0.544 19079 6553 1 9 . 1 1 114 114 GLY H H 114 7.689 7.689 7.500 0.189 19079 6554 1 9 . 1 1 115 115 VAL N N 115 120.998 120.998 122.268 -1.270 19079 6555 1 9 . 1 1 115 115 VAL HA H 115 4.476 4.476 4.072 0.404 19079 6556 1 9 . 1 1 115 115 VAL C C 115 173.881 173.881 176.483 -2.602 19079 6557 1 9 . 1 1 115 115 VAL CA C 115 62.513 62.513 64.811 -2.298 19079 6558 1 9 . 1 1 115 115 VAL CB C 115 32.113 32.113 31.854 0.259 19079 6559 1 9 . 1 1 115 115 VAL H H 115 8.455 8.455 8.423 0.032 19079 6560 1 9 . 1 1 116 116 ILE N N 116 114.566 114.566 117.970 -3.404 19079 6561 1 9 . 1 1 116 116 ILE HA H 116 4.603 4.603 4.529 0.074 19079 6562 1 9 . 1 1 116 116 ILE C C 116 175.445 175.445 174.365 1.080 19079 6563 1 9 . 1 1 116 116 ILE CA C 116 61.470 61.470 60.076 1.394 19079 6564 1 9 . 1 1 116 116 ILE CB C 116 40.782 40.782 38.540 2.242 19079 6565 1 9 . 1 1 116 116 ILE H H 116 8.460 8.460 9.098 -0.638 19079 6566 1 9 . 1 1 117 117 GLY N N 117 106.195 106.195 107.786 -1.591 19079 6567 1 9 . 1 1 117 117 GLY C C 117 171.664 171.664 171.954 -0.290 19079 6568 1 9 . 1 1 117 117 GLY CA C 117 46.303 46.303 45.596 0.707 19079 6569 1 9 . 1 1 117 117 GLY H H 117 7.827 7.827 7.507 0.320 19079 6570 1 9 . 1 1 118 118 ILE N N 118 109.501 109.501 116.088 -6.587 19079 6571 1 9 . 1 1 118 118 ILE HA H 118 5.611 5.611 5.618 -0.007 19079 6572 1 9 . 1 1 118 118 ILE C C 118 176.642 176.642 175.370 1.272 19079 6573 1 9 . 1 1 118 118 ILE CA C 118 58.787 58.787 57.670 1.117 19079 6574 1 9 . 1 1 118 118 ILE CB C 118 43.351 43.351 41.839 1.512 19079 6575 1 9 . 1 1 118 118 ILE H H 118 7.571 7.571 7.922 -0.351 19079 6576 1 9 . 1 1 119 119 ILE N N 119 124.258 124.258 120.316 3.942 19079 6577 1 9 . 1 1 119 119 ILE HA H 119 3.774 3.774 3.518 0.256 19079 6578 1 9 . 1 1 119 119 ILE C C 119 177.447 177.447 176.675 0.772 19079 6579 1 9 . 1 1 119 119 ILE CA C 119 64.399 64.399 61.632 2.767 19079 6580 1 9 . 1 1 119 119 ILE CB C 119 39.393 39.393 36.411 2.982 19079 6581 1 9 . 1 1 119 119 ILE H H 119 9.465 9.465 8.083 1.382 19079 6582 1 9 . 1 1 120 120 THR N N 120 122.153 122.153 123.783 -1.630 19079 6583 1 9 . 1 1 120 120 THR HA H 120 4.670 4.670 4.360 0.310 19079 6584 1 9 . 1 1 120 120 THR C C 120 171.416 171.416 174.057 -2.641 19079 6585 1 9 . 1 1 120 120 THR CA C 120 61.440 61.440 61.346 0.094 19079 6586 1 9 . 1 1 120 120 THR CB C 120 70.455 70.455 69.792 0.663 19079 6587 1 9 . 1 1 120 120 THR H H 120 9.400 9.400 8.059 1.341 19079 6588 1 9 . 1 1 121 121 ALA N N 121 124.014 124.014 121.286 2.728 19079 6589 1 9 . 1 1 121 121 ALA HA H 121 4.583 4.583 4.493 0.090 19079 6590 1 9 . 1 1 121 121 ALA C C 121 173.695 173.695 174.961 -1.266 19079 6591 1 9 . 1 1 121 121 ALA CA C 121 51.833 51.833 51.917 -0.084 19079 6592 1 9 . 1 1 121 121 ALA CB C 121 22.523 22.523 20.472 2.051 19079 6593 1 9 . 1 1 121 121 ALA H H 121 7.885 7.885 7.126 0.759 19079 6594 1 9 . 1 1 122 122 GLY N N 122 103.252 103.252 105.452 -2.200 19079 6595 1 9 . 1 1 122 122 GLY C C 122 172.124 172.124 173.625 -1.501 19079 6596 1 9 . 1 1 122 122 GLY CA C 122 45.917 45.917 45.197 0.721 19079 6597 1 9 . 1 1 122 122 GLY H H 122 7.828 7.828 8.171 -0.343 19079 6598 1 9 . 1 1 123 123 GLY N N 123 107.688 107.688 107.215 0.473 19079 6599 1 9 . 1 1 123 123 GLY C C 123 174.470 174.470 173.080 1.390 19079 6600 1 9 . 1 1 123 123 GLY CA C 123 45.051 45.051 45.153 -0.102 19079 6601 1 9 . 1 1 123 123 GLY H H 123 8.285 8.285 8.691 -0.406 19079 6602 1 9 . 1 1 124 124 ASP N N 124 120.288 120.288 119.052 1.236 19079 6603 1 9 . 1 1 124 124 ASP HA H 124 4.621 4.621 4.214 0.407 19079 6604 1 9 . 1 1 124 124 ASP C C 124 176.061 176.061 176.843 -0.782 19079 6605 1 9 . 1 1 124 124 ASP CA C 124 55.465 55.465 54.862 0.603 19079 6606 1 9 . 1 1 124 124 ASP CB C 124 40.111 40.111 39.862 0.249 19079 6607 1 9 . 1 1 124 124 ASP H H 124 9.054 9.054 7.829 1.225 19079 6608 1 9 . 1 1 125 125 GLY N N 125 105.482 105.482 107.552 -2.070 19079 6609 1 9 . 1 1 125 125 GLY C C 125 174.566 174.566 172.782 1.784 19079 6610 1 9 . 1 1 125 125 GLY CA C 125 45.493 45.493 45.586 -0.093 19079 6611 1 9 . 1 1 125 125 GLY H H 125 8.567 8.567 8.682 -0.115 19079 6612 1 9 . 1 1 126 126 HIS N N 126 117.677 117.677 117.987 -0.310 19079 6613 1 9 . 1 1 126 126 HIS HA H 126 5.449 5.449 5.227 0.222 19079 6614 1 9 . 1 1 126 126 HIS C C 126 172.058 172.058 173.425 -1.367 19079 6615 1 9 . 1 1 126 126 HIS CA C 126 54.653 54.653 55.157 -0.504 19079 6616 1 9 . 1 1 126 126 HIS CB C 126 31.709 31.709 32.674 -0.965 19079 6617 1 9 . 1 1 126 126 HIS H H 126 7.852 7.852 7.530 0.322 19079 6618 1 9 . 1 1 127 127 VAL N N 127 121.145 121.145 124.862 -3.717 19079 6619 1 9 . 1 1 127 127 VAL HA H 127 4.230 4.230 4.336 -0.106 19079 6620 1 9 . 1 1 127 127 VAL C C 127 170.317 170.317 173.617 -3.300 19079 6621 1 9 . 1 1 127 127 VAL CA C 127 60.125 60.125 60.056 0.069 19079 6622 1 9 . 1 1 127 127 VAL CB C 127 34.681 34.681 34.551 0.130 19079 6623 1 9 . 1 1 127 127 VAL H H 127 8.857 8.857 9.013 -0.156 19079 6624 1 9 . 1 1 128 128 ALA N N 128 127.867 127.867 131.670 -3.803 19079 6625 1 9 . 1 1 128 128 ALA HA H 128 5.222 5.222 4.898 0.324 19079 6626 1 9 . 1 1 128 128 ALA C C 128 175.506 175.506 175.811 -0.305 19079 6627 1 9 . 1 1 128 128 ALA CA C 128 49.199 49.199 50.596 -1.397 19079 6628 1 9 . 1 1 128 128 ALA CB C 128 21.731 21.731 20.976 0.755 19079 6629 1 9 . 1 1 128 128 ALA H H 128 8.400 8.400 8.562 -0.162 19079 6630 1 9 . 1 1 129 129 PHE N N 129 121.202 121.202 118.348 2.854 19079 6631 1 9 . 1 1 129 129 PHE HA H 129 5.301 5.301 5.169 0.132 19079 6632 1 9 . 1 1 129 129 PHE C C 129 176.082 176.082 175.614 0.468 19079 6633 1 9 . 1 1 129 129 PHE CA C 129 54.759 54.759 56.742 -1.983 19079 6634 1 9 . 1 1 129 129 PHE CB C 129 41.372 41.372 43.819 -2.447 19079 6635 1 9 . 1 1 129 129 PHE H H 129 9.689 9.689 8.247 1.442 19079 6636 1 9 . 1 1 130 130 THR N N 130 121.809 121.809 119.114 2.695 19079 6637 1 9 . 1 1 130 130 THR HA H 130 4.573 4.573 4.436 0.137 19079 6638 1 9 . 1 1 130 130 THR C C 130 173.050 173.050 174.497 -1.447 19079 6639 1 9 . 1 1 130 130 THR CA C 130 63.487 63.487 62.161 1.326 19079 6640 1 9 . 1 1 130 130 THR CB C 130 70.852 70.852 69.405 1.447 19079 6641 1 9 . 1 1 130 130 THR H H 130 8.848 8.848 8.765 0.083 19079 6642 1 9 . 1 1 131 131 ASP N N 131 128.382 128.382 129.711 -1.329 19079 6643 1 9 . 1 1 131 131 ASP HA H 131 4.915 4.915 4.592 0.323 19079 6644 1 9 . 1 1 131 131 ASP C C 131 175.616 175.616 176.376 -0.760 19079 6645 1 9 . 1 1 131 131 ASP CA C 131 52.924 52.924 55.078 -2.155 19079 6646 1 9 . 1 1 131 131 ASP CB C 131 41.513 41.513 40.550 0.963 19079 6647 1 9 . 1 1 131 131 ASP H H 131 8.722 8.722 8.651 0.071 19079 6648 1 9 . 1 1 132 132 LEU N N 132 123.250 123.250 127.522 -4.272 19079 6649 1 9 . 1 1 132 132 LEU HA H 132 4.325 4.325 4.037 0.288 19079 6650 1 9 . 1 1 132 132 LEU C C 132 179.704 179.704 177.261 2.443 19079 6651 1 9 . 1 1 132 132 LEU CA C 132 55.286 55.286 54.939 0.347 19079 6652 1 9 . 1 1 132 132 LEU CB C 132 42.640 42.640 42.108 0.532 19079 6653 1 9 . 1 1 132 132 LEU H H 132 8.788 8.788 7.961 0.827 19079 6654 1 9 . 1 1 133 133 ARG N N 133 119.561 119.561 120.980 -1.419 19079 6655 1 9 . 1 1 133 133 ARG HA H 133 3.977 3.977 4.146 -0.169 19079 6656 1 9 . 1 1 133 133 ARG C C 133 177.476 177.476 176.365 1.111 19079 6657 1 9 . 1 1 133 133 ARG CA C 133 61.799 61.799 60.970 0.829 19079 6658 1 9 . 1 1 133 133 ARG CB C 133 27.601 27.601 28.094 -0.493 19079 6659 1 9 . 1 1 133 133 ARG H H 133 8.961 8.961 7.726 1.235 19079 6660 1 9 . 1 1 134 134 PRO HA H 134 4.284 4.284 4.410 -0.126 19079 6661 1 9 . 1 1 134 134 PRO C C 134 175.695 175.695 177.890 -2.195 19079 6662 1 9 . 1 1 134 134 PRO CA C 134 64.508 64.508 64.911 -0.403 19079 6663 1 9 . 1 1 134 134 PRO CB C 134 31.008 31.008 31.360 -0.352 19079 6664 1 9 . 1 1 135 135 TYR N N 135 114.745 114.745 116.925 -2.180 19079 6665 1 9 . 1 1 135 135 TYR HA H 135 4.420 4.420 4.319 0.101 19079 6666 1 9 . 1 1 135 135 TYR C C 135 175.146 175.146 176.209 -1.063 19079 6667 1 9 . 1 1 135 135 TYR CA C 135 57.322 57.322 60.189 -2.867 19079 6668 1 9 . 1 1 135 135 TYR CB C 135 39.549 39.549 37.948 1.601 19079 6669 1 9 . 1 1 135 135 TYR H H 135 7.419 7.419 8.017 -0.598 19079 6670 1 9 . 1 1 136 136 ASN N N 136 119.088 119.088 115.921 3.167 19079 6671 1 9 . 1 1 136 136 ASN HA H 136 4.622 4.622 4.894 -0.272 19079 6672 1 9 . 1 1 136 136 ASN C C 136 175.650 175.650 175.320 0.330 19079 6673 1 9 . 1 1 136 136 ASN CA C 136 53.601 53.601 52.275 1.326 19079 6674 1 9 . 1 1 136 136 ASN CB C 136 38.741 38.741 40.310 -1.569 19079 6675 1 9 . 1 1 136 136 ASN H H 136 7.245 7.245 7.534 -0.289 19079 6676 1 9 . 1 1 137 137 ILE N N 137 126.031 126.031 122.214 3.817 19079 6677 1 9 . 1 1 137 137 ILE HA H 137 4.135 4.135 4.310 -0.175 19079 6678 1 9 . 1 1 137 137 ILE C C 137 175.636 175.636 176.346 -0.710 19079 6679 1 9 . 1 1 137 137 ILE CA C 137 61.215 61.215 60.055 1.160 19079 6680 1 9 . 1 1 137 137 ILE CB C 137 38.380 38.380 35.656 2.724 19079 6681 1 9 . 1 1 137 137 ILE H H 137 7.849 7.849 8.481 -0.632 19079 6682 1 9 . 1 1 138 138 LYS N N 138 125.271 125.271 126.506 -1.235 19079 6683 1 9 . 1 1 138 138 LYS HA H 138 4.368 4.368 4.071 0.297 19079 6684 1 9 . 1 1 138 138 LYS C C 138 176.110 176.110 176.362 -0.252 19079 6685 1 9 . 1 1 138 138 LYS CA C 138 55.906 55.906 58.772 -2.866 19079 6686 1 9 . 1 1 138 138 LYS CB C 138 33.564 33.564 32.474 1.090 19079 6687 1 9 . 1 1 138 138 LYS H H 138 8.171 8.171 8.430 -0.259 19079 6688 1 9 . 1 1 139 139 ALA N N 139 124.226 124.226 119.652 4.574 19079 6689 1 9 . 1 1 139 139 ALA HA H 139 4.384 4.384 4.338 0.046 19079 6690 1 9 . 1 1 139 139 ALA C C 139 177.788 177.788 176.236 1.552 19079 6691 1 9 . 1 1 139 139 ALA CA C 139 52.522 52.522 52.158 0.364 19079 6692 1 9 . 1 1 139 139 ALA CB C 139 19.531 19.531 19.207 0.324 19079 6693 1 9 . 1 1 139 139 ALA H H 139 8.207 8.207 7.844 0.363 19079 6694 1 9 . 1 1 140 140 THR N N 140 112.869 112.869 112.915 -0.046 19079 6695 1 9 . 1 1 140 140 THR HA H 140 4.390 4.390 4.760 -0.370 19079 6696 1 9 . 1 1 140 140 THR C C 140 174.522 174.522 174.107 0.415 19079 6697 1 9 . 1 1 140 140 THR CA C 140 61.685 61.685 60.754 0.931 19079 6698 1 9 . 1 1 140 140 THR CB C 140 69.961 69.961 70.882 -0.922 19079 6699 1 9 . 1 1 140 140 THR H H 140 8.094 8.094 7.907 0.187 19079 6700 1 9 . 1 1 141 141 SER N N 141 118.138 118.138 115.571 2.567 19079 6701 1 9 . 1 1 141 141 SER HA H 141 4.500 4.500 4.675 -0.175 19079 6702 1 9 . 1 1 141 141 SER C C 141 173.503 173.503 173.953 -0.450 19079 6703 1 9 . 1 1 141 141 SER CA C 141 58.315 58.315 57.654 0.661 19079 6704 1 9 . 1 1 141 141 SER CB C 141 64.039 64.039 64.144 -0.105 19079 6705 1 9 . 1 1 141 141 SER H H 141 8.209 8.209 8.336 -0.127 19079 6706 1 10 . 1 1 2 2 PRO HA H 2 4.360 4.360 4.485 -0.125 19079 6707 1 10 . 1 1 2 2 PRO C C 2 178.185 178.185 177.041 1.144 19079 6708 1 10 . 1 1 2 2 PRO CA C 2 65.722 65.722 63.940 1.782 19079 6709 1 10 . 1 1 2 2 PRO CB C 2 33.078 33.078 32.527 0.551 19079 6710 1 10 . 1 1 3 3 SER N N 3 112.403 112.403 112.335 0.068 19079 6711 1 10 . 1 1 3 3 SER HA H 3 3.136 3.136 4.566 -1.431 19079 6712 1 10 . 1 1 3 3 SER C C 3 172.101 172.101 173.405 -1.304 19079 6713 1 10 . 1 1 3 3 SER CA C 3 57.421 57.421 58.568 -1.147 19079 6714 1 10 . 1 1 3 3 SER CB C 3 62.812 62.812 63.941 -1.129 19079 6715 1 10 . 1 1 3 3 SER H H 3 8.494 8.494 8.105 0.389 19079 6716 1 10 . 1 1 4 4 ASP N N 4 119.024 119.024 121.255 -2.231 19079 6717 1 10 . 1 1 4 4 ASP HA H 4 4.438 4.438 5.041 -0.603 19079 6718 1 10 . 1 1 4 4 ASP C C 4 177.371 177.371 174.976 2.395 19079 6719 1 10 . 1 1 4 4 ASP CA C 4 54.800 54.800 53.692 1.108 19079 6720 1 10 . 1 1 4 4 ASP CB C 4 41.495 41.495 41.484 0.011 19079 6721 1 10 . 1 1 4 4 ASP H H 4 6.841 6.841 7.965 -1.124 19079 6722 1 10 . 1 1 5 5 LEU N N 5 129.426 129.426 116.513 12.913 19079 6723 1 10 . 1 1 5 5 LEU HA H 5 4.526 4.526 4.509 0.017 19079 6724 1 10 . 1 1 5 5 LEU C C 5 176.246 176.246 174.077 2.169 19079 6725 1 10 . 1 1 5 5 LEU CA C 5 54.010 54.010 53.960 0.050 19079 6726 1 10 . 1 1 5 5 LEU CB C 5 40.690 40.690 40.622 0.068 19079 6727 1 10 . 1 1 5 5 LEU H H 5 8.781 8.781 7.867 0.914 19079 6728 1 10 . 1 1 6 6 PHE HA H 6 4.842 4.842 4.648 0.194 19079 6729 1 10 . 1 1 6 6 PHE C C 6 174.584 174.584 176.115 -1.531 19079 6730 1 10 . 1 1 6 6 PHE CA C 6 56.782 56.782 56.596 0.186 19079 6731 1 10 . 1 1 6 6 PHE CB C 6 39.576 39.576 40.080 -0.504 19079 6732 1 10 . 1 1 7 7 VAL N N 7 118.923 118.923 121.440 -2.517 19079 6733 1 10 . 1 1 7 7 VAL HA H 7 4.528 4.528 4.079 0.449 19079 6734 1 10 . 1 1 7 7 VAL C C 7 173.989 173.989 174.686 -0.697 19079 6735 1 10 . 1 1 7 7 VAL CA C 7 61.571 61.571 60.862 0.709 19079 6736 1 10 . 1 1 7 7 VAL CB C 7 34.826 34.826 33.697 1.129 19079 6737 1 10 . 1 1 7 7 VAL H H 7 8.586 8.586 8.421 0.165 19079 6738 1 10 . 1 1 8 8 HIS N N 8 132.990 132.990 119.135 13.855 19079 6739 1 10 . 1 1 8 8 HIS HA H 8 5.997 5.997 5.199 0.798 19079 6740 1 10 . 1 1 8 8 HIS C C 8 174.184 174.184 174.552 -0.368 19079 6741 1 10 . 1 1 8 8 HIS CA C 8 53.113 53.113 54.075 -0.962 19079 6742 1 10 . 1 1 8 8 HIS CB C 8 33.889 33.889 30.696 3.193 19079 6743 1 10 . 1 1 8 8 HIS H H 8 10.809 10.809 7.968 2.841 19079 6744 1 10 . 1 1 9 9 THR N N 9 118.112 118.112 116.213 1.899 19079 6745 1 10 . 1 1 9 9 THR HA H 9 5.343 5.343 4.868 0.475 19079 6746 1 10 . 1 1 9 9 THR C C 9 175.788 175.788 175.049 0.739 19079 6747 1 10 . 1 1 9 9 THR CA C 9 59.768 59.768 61.180 -1.412 19079 6748 1 10 . 1 1 9 9 THR CB C 9 70.673 70.673 70.333 0.340 19079 6749 1 10 . 1 1 9 9 THR H H 9 9.512 9.512 8.762 0.750 19079 6750 1 10 . 1 1 10 10 GLU N N 10 117.927 117.927 125.221 -7.294 19079 6751 1 10 . 1 1 10 10 GLU HA H 10 4.096 4.096 3.751 0.345 19079 6752 1 10 . 1 1 10 10 GLU C C 10 176.321 176.321 176.271 0.050 19079 6753 1 10 . 1 1 10 10 GLU CA C 10 59.900 59.900 59.522 0.378 19079 6754 1 10 . 1 1 10 10 GLU CB C 10 29.983 29.983 27.850 2.133 19079 6755 1 10 . 1 1 10 10 GLU H H 10 8.812 8.812 9.323 -0.511 19079 6756 1 10 . 1 1 11 11 GLN N N 11 110.877 110.877 119.530 -8.653 19079 6757 1 10 . 1 1 11 11 GLN HA H 11 4.621 4.621 4.935 -0.314 19079 6758 1 10 . 1 1 11 11 GLN C C 11 175.391 175.391 173.726 1.665 19079 6759 1 10 . 1 1 11 11 GLN CA C 11 56.071 56.071 55.173 0.898 19079 6760 1 10 . 1 1 11 11 GLN CB C 11 31.963 31.963 31.587 0.376 19079 6761 1 10 . 1 1 11 11 GLN H H 11 7.797 7.797 8.314 -0.517 19079 6762 1 10 . 1 1 12 12 ALA N N 12 122.143 122.143 122.987 -0.844 19079 6763 1 10 . 1 1 12 12 ALA HA H 12 5.049 5.049 5.416 -0.367 19079 6764 1 10 . 1 1 12 12 ALA C C 12 174.293 174.293 175.770 -1.477 19079 6765 1 10 . 1 1 12 12 ALA CA C 12 51.943 51.943 50.142 1.802 19079 6766 1 10 . 1 1 12 12 ALA CB C 12 23.177 23.177 21.702 1.475 19079 6767 1 10 . 1 1 12 12 ALA H H 12 7.814 7.814 8.290 -0.476 19079 6768 1 10 . 1 1 13 13 ILE N N 13 119.589 119.589 126.675 -7.086 19079 6769 1 10 . 1 1 13 13 ILE HA H 13 5.399 5.399 4.689 0.710 19079 6770 1 10 . 1 1 13 13 ILE C C 13 174.295 174.295 175.011 -0.716 19079 6771 1 10 . 1 1 13 13 ILE CA C 13 60.102 60.102 60.089 0.013 19079 6772 1 10 . 1 1 13 13 ILE CB C 13 41.080 41.080 38.609 2.471 19079 6773 1 10 . 1 1 13 13 ILE H H 13 9.206 9.206 8.677 0.529 19079 6774 1 10 . 1 1 14 14 TYR N N 14 127.337 127.337 129.307 -1.970 19079 6775 1 10 . 1 1 14 14 TYR HA H 14 4.853 4.853 4.696 0.157 19079 6776 1 10 . 1 1 14 14 TYR C C 14 172.793 172.793 175.216 -2.423 19079 6777 1 10 . 1 1 14 14 TYR CA C 14 56.784 56.784 58.339 -1.555 19079 6778 1 10 . 1 1 14 14 TYR CB C 14 39.797 39.797 39.389 0.408 19079 6779 1 10 . 1 1 14 14 TYR H H 14 9.794 9.794 9.033 0.761 19079 6780 1 10 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.678 -0.306 19079 6781 1 10 . 1 1 15 15 LYS CA C 15 55.924 55.924 54.292 1.632 19079 6782 1 10 . 1 1 15 15 LYS CB C 15 33.563 33.563 36.925 -3.362 19079 6783 1 10 . 1 1 15 15 LYS H H 15 7.550 7.550 8.237 -0.687 19079 6784 1 10 . 1 1 16 16 ASN N N 16 107.943 107.943 121.547 -13.604 19079 6785 1 10 . 1 1 16 16 ASN HA H 16 5.098 5.098 4.497 0.601 19079 6786 1 10 . 1 1 16 16 ASN C C 16 176.475 176.475 176.762 -0.287 19079 6787 1 10 . 1 1 16 16 ASN CA C 16 54.072 54.072 53.939 0.133 19079 6788 1 10 . 1 1 16 16 ASN CB C 16 38.619 38.619 37.776 0.843 19079 6789 1 10 . 1 1 16 16 ASN H H 16 8.156 8.156 8.823 -0.667 19079 6790 1 10 . 1 1 17 17 ALA N N 17 127.319 127.319 128.651 -1.332 19079 6791 1 10 . 1 1 17 17 ALA HA H 17 3.608 3.608 4.120 -0.512 19079 6792 1 10 . 1 1 17 17 ALA C C 17 180.081 180.081 178.745 1.336 19079 6793 1 10 . 1 1 17 17 ALA CA C 17 54.282 54.282 54.764 -0.482 19079 6794 1 10 . 1 1 17 17 ALA CB C 17 17.646 17.646 18.949 -1.303 19079 6795 1 10 . 1 1 17 17 ALA H H 17 7.573 7.573 8.184 -0.611 19079 6796 1 10 . 1 1 18 18 HIS N N 18 108.625 108.625 113.863 -5.238 19079 6797 1 10 . 1 1 18 18 HIS HA H 18 4.504 4.504 4.523 -0.019 19079 6798 1 10 . 1 1 18 18 HIS C C 18 174.182 174.182 176.298 -2.116 19079 6799 1 10 . 1 1 18 18 HIS CA C 18 57.782 57.782 57.934 -0.152 19079 6800 1 10 . 1 1 18 18 HIS CB C 18 26.798 26.798 29.774 -2.976 19079 6801 1 10 . 1 1 18 18 HIS H H 18 8.118 8.118 7.824 0.294 19079 6802 1 10 . 1 1 19 19 LEU N N 19 117.682 117.682 120.969 -3.287 19079 6803 1 10 . 1 1 19 19 LEU HA H 19 4.444 4.444 4.535 -0.091 19079 6804 1 10 . 1 1 19 19 LEU C C 19 175.795 175.795 177.686 -1.891 19079 6805 1 10 . 1 1 19 19 LEU CA C 19 53.309 53.309 55.463 -2.154 19079 6806 1 10 . 1 1 19 19 LEU CB C 19 42.366 42.366 42.736 -0.370 19079 6807 1 10 . 1 1 19 19 LEU H H 19 6.677 6.677 7.291 -0.614 19079 6808 1 10 . 1 1 20 20 THR N N 20 116.187 116.187 110.627 5.560 19079 6809 1 10 . 1 1 20 20 THR HA H 20 4.700 4.700 4.445 0.255 19079 6810 1 10 . 1 1 20 20 THR C C 20 171.105 171.105 175.321 -4.216 19079 6811 1 10 . 1 1 20 20 THR CA C 20 58.570 58.570 62.440 -3.870 19079 6812 1 10 . 1 1 20 20 THR CB C 20 69.724 69.724 70.023 -0.299 19079 6813 1 10 . 1 1 20 20 THR H H 20 7.399 7.399 7.614 -0.215 19079 6814 1 10 . 1 1 21 21 THR N N 21 114.194 114.194 120.431 -6.237 19079 6815 1 10 . 1 1 21 21 THR HA H 21 5.124 5.124 4.075 1.049 19079 6816 1 10 . 1 1 21 21 THR CA C 21 58.991 58.991 62.172 -3.181 19079 6817 1 10 . 1 1 21 21 THR CB C 21 71.564 71.564 68.876 2.688 19079 6818 1 10 . 1 1 21 21 THR H H 21 8.410 8.410 7.806 0.604 19079 6819 1 10 . 1 1 22 22 PRO HA H 22 4.432 4.432 4.531 -0.099 19079 6820 1 10 . 1 1 22 22 PRO C C 22 175.895 175.895 177.031 -1.136 19079 6821 1 10 . 1 1 22 22 PRO CA C 22 63.390 63.390 62.688 0.702 19079 6822 1 10 . 1 1 22 22 PRO CB C 22 32.203 32.203 32.365 -0.162 19079 6823 1 10 . 1 1 23 23 ASN N N 23 119.233 119.233 117.488 1.745 19079 6824 1 10 . 1 1 23 23 ASN HA H 23 5.032 5.032 4.491 0.541 19079 6825 1 10 . 1 1 23 23 ASN C C 23 175.963 175.963 175.613 0.350 19079 6826 1 10 . 1 1 23 23 ASN CA C 23 52.452 52.452 55.210 -2.758 19079 6827 1 10 . 1 1 23 23 ASN CB C 23 41.420 41.420 38.345 3.075 19079 6828 1 10 . 1 1 23 23 ASN H H 23 9.227 9.227 8.457 0.770 19079 6829 1 10 . 1 1 24 24 ASP N N 24 119.074 119.074 116.377 2.697 19079 6830 1 10 . 1 1 24 24 ASP HA H 24 4.417 4.417 4.692 -0.275 19079 6831 1 10 . 1 1 24 24 ASP C C 24 176.983 176.983 174.833 2.150 19079 6832 1 10 . 1 1 24 24 ASP CA C 24 56.942 56.942 54.993 1.949 19079 6833 1 10 . 1 1 24 24 ASP CB C 24 40.266 40.266 40.527 -0.261 19079 6834 1 10 . 1 1 24 24 ASP H H 24 8.649 8.649 8.144 0.505 19079 6835 1 10 . 1 1 25 25 GLN N N 25 116.580 116.580 118.936 -2.356 19079 6836 1 10 . 1 1 25 25 GLN HA H 25 4.425 4.425 4.597 -0.172 19079 6837 1 10 . 1 1 25 25 GLN C C 25 177.373 177.373 175.424 1.949 19079 6838 1 10 . 1 1 25 25 GLN CA C 25 55.419 55.419 54.936 0.483 19079 6839 1 10 . 1 1 25 25 GLN CB C 25 28.933 28.933 29.463 -0.530 19079 6840 1 10 . 1 1 25 25 GLN H H 25 9.028 9.028 8.610 0.418 19079 6841 1 10 . 1 1 26 26 THR N N 26 122.196 122.196 109.770 12.426 19079 6842 1 10 . 1 1 26 26 THR HA H 26 4.779 4.779 4.410 0.369 19079 6843 1 10 . 1 1 26 26 THR C C 26 174.583 174.583 174.338 0.245 19079 6844 1 10 . 1 1 26 26 THR CA C 26 65.218 65.218 61.237 3.981 19079 6845 1 10 . 1 1 26 26 THR CB C 26 68.963 68.963 69.873 -0.910 19079 6846 1 10 . 1 1 26 26 THR H H 26 7.692 7.692 7.568 0.124 19079 6847 1 10 . 1 1 27 27 ILE N N 27 129.367 129.367 118.570 10.797 19079 6848 1 10 . 1 1 27 27 ILE HA H 27 4.112 4.112 4.403 -0.291 19079 6849 1 10 . 1 1 27 27 ILE C C 27 175.734 175.734 175.125 0.609 19079 6850 1 10 . 1 1 27 27 ILE CA C 27 62.558 62.558 62.236 0.322 19079 6851 1 10 . 1 1 27 27 ILE CB C 27 40.357 40.357 39.951 0.406 19079 6852 1 10 . 1 1 27 27 ILE H H 27 9.785 9.785 8.194 1.591 19079 6853 1 10 . 1 1 28 28 LEU N N 28 120.773 120.773 122.250 -1.477 19079 6854 1 10 . 1 1 28 28 LEU HA H 28 4.506 4.506 4.729 -0.223 19079 6855 1 10 . 1 1 28 28 LEU C C 28 173.083 173.083 174.283 -1.200 19079 6856 1 10 . 1 1 28 28 LEU CA C 28 55.337 55.337 54.858 0.478 19079 6857 1 10 . 1 1 28 28 LEU CB C 28 45.942 45.942 45.104 0.838 19079 6858 1 10 . 1 1 28 28 LEU H H 28 7.814 7.814 7.565 0.249 19079 6859 1 10 . 1 1 29 29 LEU N N 29 128.285 128.285 123.490 4.795 19079 6860 1 10 . 1 1 29 29 LEU HA H 29 4.798 4.798 5.164 -0.366 19079 6861 1 10 . 1 1 29 29 LEU C C 29 174.589 174.589 175.475 -0.886 19079 6862 1 10 . 1 1 29 29 LEU CA C 29 54.133 54.133 53.801 0.332 19079 6863 1 10 . 1 1 29 29 LEU CB C 29 43.909 43.909 45.307 -1.398 19079 6864 1 10 . 1 1 29 29 LEU H H 29 8.653 8.653 8.072 0.581 19079 6865 1 10 . 1 1 30 30 ALA N N 30 132.532 132.532 126.014 6.518 19079 6866 1 10 . 1 1 30 30 ALA HA H 30 4.995 4.995 4.665 0.330 19079 6867 1 10 . 1 1 30 30 ALA C C 30 177.994 177.994 177.228 0.766 19079 6868 1 10 . 1 1 30 30 ALA CA C 30 49.621 49.621 50.786 -1.165 19079 6869 1 10 . 1 1 30 30 ALA CB C 30 18.022 18.022 20.138 -2.116 19079 6870 1 10 . 1 1 30 30 ALA H H 30 9.179 9.179 8.528 0.651 19079 6871 1 10 . 1 1 31 31 LEU N N 31 126.651 126.651 123.777 2.874 19079 6872 1 10 . 1 1 31 31 LEU HA H 31 4.619 4.619 4.141 0.478 19079 6873 1 10 . 1 1 31 31 LEU CA C 31 59.032 59.032 56.669 2.363 19079 6874 1 10 . 1 1 31 31 LEU CB C 31 41.356 41.356 40.820 0.536 19079 6875 1 10 . 1 1 31 31 LEU H H 31 8.828 8.828 8.776 0.052 19079 6876 1 10 . 1 1 32 32 THR HA H 32 4.283 4.283 4.001 0.282 19079 6877 1 10 . 1 1 32 32 THR C C 32 173.341 173.341 175.298 -1.957 19079 6878 1 10 . 1 1 32 32 THR CA C 32 63.443 63.443 64.632 -1.189 19079 6879 1 10 . 1 1 32 32 THR CB C 32 68.639 68.639 68.875 -0.236 19079 6880 1 10 . 1 1 32 32 THR H H 32 8.105 8.105 8.038 0.067 19079 6881 1 10 . 1 1 33 33 ALA N N 33 122.960 122.960 120.596 2.364 19079 6882 1 10 . 1 1 33 33 ALA HA H 33 5.301 5.301 4.372 0.929 19079 6883 1 10 . 1 1 33 33 ALA C C 33 175.467 175.467 175.960 -0.493 19079 6884 1 10 . 1 1 33 33 ALA CA C 33 50.782 50.782 51.195 -0.413 19079 6885 1 10 . 1 1 33 33 ALA CB C 33 20.256 20.256 20.058 0.198 19079 6886 1 10 . 1 1 33 33 ALA H H 33 7.328 7.328 7.956 -0.628 19079 6887 1 10 . 1 1 34 34 ASP N N 34 115.713 115.713 117.257 -1.544 19079 6888 1 10 . 1 1 34 34 ASP HA H 34 4.194 4.194 4.382 -0.188 19079 6889 1 10 . 1 1 34 34 ASP C C 34 175.750 175.750 174.868 0.882 19079 6890 1 10 . 1 1 34 34 ASP CA C 34 55.269 55.269 55.430 -0.161 19079 6891 1 10 . 1 1 34 34 ASP CB C 34 40.525 40.525 40.245 0.281 19079 6892 1 10 . 1 1 34 34 ASP H H 34 7.927 7.927 7.822 0.105 19079 6893 1 10 . 1 1 35 35 LEU N N 35 119.485 119.485 118.554 0.931 19079 6894 1 10 . 1 1 35 35 LEU HA H 35 5.102 5.102 4.511 0.591 19079 6895 1 10 . 1 1 35 35 LEU C C 35 173.060 173.060 174.361 -1.301 19079 6896 1 10 . 1 1 35 35 LEU CA C 35 54.268 54.268 54.520 -0.252 19079 6897 1 10 . 1 1 35 35 LEU CB C 35 47.326 47.326 44.906 2.420 19079 6898 1 10 . 1 1 35 35 LEU H H 35 7.820 7.820 7.633 0.187 19079 6899 1 10 . 1 1 36 36 GLN N N 36 127.748 127.748 120.936 6.812 19079 6900 1 10 . 1 1 36 36 GLN HA H 36 4.790 4.790 4.802 -0.012 19079 6901 1 10 . 1 1 36 36 GLN C C 36 173.161 173.161 174.157 -0.996 19079 6902 1 10 . 1 1 36 36 GLN CA C 36 55.286 55.286 53.583 1.703 19079 6903 1 10 . 1 1 36 36 GLN CB C 36 32.594 32.594 32.447 0.147 19079 6904 1 10 . 1 1 36 36 GLN H H 36 9.050 9.050 8.689 0.361 19079 6905 1 10 . 1 1 37 37 ILE N N 37 125.606 125.606 120.773 4.833 19079 6906 1 10 . 1 1 37 37 ILE HA H 37 4.807 4.807 4.980 -0.173 19079 6907 1 10 . 1 1 37 37 ILE C C 37 174.921 174.921 174.473 0.448 19079 6908 1 10 . 1 1 37 37 ILE CA C 37 59.869 59.869 59.685 0.184 19079 6909 1 10 . 1 1 37 37 ILE CB C 37 39.750 39.750 40.913 -1.163 19079 6910 1 10 . 1 1 37 37 ILE H H 37 8.828 8.828 8.113 0.715 19079 6911 1 10 . 1 1 38 38 ASP N N 38 128.163 128.163 124.191 3.972 19079 6912 1 10 . 1 1 38 38 ASP HA H 38 5.259 5.259 5.033 0.226 19079 6913 1 10 . 1 1 38 38 ASP C C 38 176.122 176.122 175.172 0.950 19079 6914 1 10 . 1 1 38 38 ASP CA C 38 52.316 52.316 51.937 0.379 19079 6915 1 10 . 1 1 38 38 ASP CB C 38 43.251 43.251 45.139 -1.888 19079 6916 1 10 . 1 1 38 38 ASP H H 38 9.226 9.226 8.540 0.686 19079 6917 1 10 . 1 1 39 39 GLY N N 39 107.273 107.273 106.446 0.827 19079 6918 1 10 . 1 1 39 39 GLY C C 39 171.808 171.808 172.956 -1.148 19079 6919 1 10 . 1 1 39 39 GLY CA C 39 45.108 45.108 44.419 0.690 19079 6920 1 10 . 1 1 39 39 GLY H H 39 8.682 8.682 8.514 0.168 19079 6921 1 10 . 1 1 40 40 CYS N N 40 114.602 114.602 119.152 -4.550 19079 6922 1 10 . 1 1 40 40 CYS HA H 40 4.832 4.832 4.573 0.259 19079 6923 1 10 . 1 1 40 40 CYS CA C 40 55.517 55.517 58.487 -2.970 19079 6924 1 10 . 1 1 40 40 CYS CB C 40 30.872 30.872 30.175 0.697 19079 6925 1 10 . 1 1 40 40 CYS H H 40 7.784 7.784 8.217 -0.433 19079 6926 1 10 . 1 1 41 41 ASP N N 41 121.388 121.388 121.725 -0.337 19079 6927 1 10 . 1 1 41 41 ASP HA H 41 4.618 4.618 4.793 -0.175 19079 6928 1 10 . 1 1 41 41 ASP CA C 41 54.808 54.808 54.366 0.442 19079 6929 1 10 . 1 1 41 41 ASP CB C 41 41.299 41.299 41.272 0.027 19079 6930 1 10 . 1 1 41 41 ASP H H 41 8.496 8.496 8.477 0.019 19079 6931 1 10 . 1 1 42 42 GLN N N 42 118.506 118.506 119.601 -1.095 19079 6932 1 10 . 1 1 42 42 GLN HA H 42 4.900 4.900 4.557 0.343 19079 6933 1 10 . 1 1 42 42 GLN CA C 42 52.529 52.529 53.048 -0.519 19079 6934 1 10 . 1 1 42 42 GLN CB C 42 30.580 30.580 28.860 1.720 19079 6935 1 10 . 1 1 42 42 GLN H H 42 7.592 7.592 7.844 -0.252 19079 6936 1 10 . 1 1 43 43 PRO HA H 43 4.438 4.438 4.385 0.053 19079 6937 1 10 . 1 1 43 43 PRO CA C 43 63.283 63.283 62.638 0.645 19079 6938 1 10 . 1 1 43 43 PRO CB C 43 32.178 32.178 32.684 -0.506 19079 6939 1 10 . 1 1 44 44 GLY N N 44 109.062 109.062 106.709 2.353 19079 6940 1 10 . 1 1 44 44 GLY CA C 44 45.265 45.265 44.858 0.407 19079 6941 1 10 . 1 1 44 44 GLY H H 44 8.249 8.249 8.233 0.016 19079 6942 1 10 . 1 1 45 45 PRO HA H 45 4.535 4.535 4.568 -0.033 19079 6943 1 10 . 1 1 45 45 PRO CA C 45 63.511 63.511 63.195 0.316 19079 6944 1 10 . 1 1 45 45 PRO CB C 45 33.193 33.193 30.843 2.350 19079 6945 1 10 . 1 1 46 46 ASP N N 46 121.254 121.254 122.421 -1.167 19079 6946 1 10 . 1 1 46 46 ASP HA H 46 4.784 4.784 4.659 0.125 19079 6947 1 10 . 1 1 46 46 ASP C C 46 174.555 174.555 174.065 0.490 19079 6948 1 10 . 1 1 46 46 ASP CA C 46 55.268 55.268 54.566 0.702 19079 6949 1 10 . 1 1 46 46 ASP CB C 46 43.360 43.360 43.418 -0.058 19079 6950 1 10 . 1 1 46 46 ASP H H 46 8.533 8.533 8.187 0.346 19079 6951 1 10 . 1 1 47 47 ASN N N 47 118.452 118.452 119.945 -1.493 19079 6952 1 10 . 1 1 47 47 ASN HA H 47 4.912 4.912 4.812 0.100 19079 6953 1 10 . 1 1 47 47 ASN C C 47 172.394 172.394 173.838 -1.444 19079 6954 1 10 . 1 1 47 47 ASN CA C 47 52.877 52.877 51.510 1.367 19079 6955 1 10 . 1 1 47 47 ASN CB C 47 42.185 42.185 41.215 0.970 19079 6956 1 10 . 1 1 47 47 ASN H H 47 8.668 8.668 8.212 0.456 19079 6957 1 10 . 1 1 48 48 ILE N N 48 126.910 126.910 120.233 6.677 19079 6958 1 10 . 1 1 48 48 ILE HA H 48 5.269 5.269 4.455 0.814 19079 6959 1 10 . 1 1 48 48 ILE CA C 48 57.457 57.457 58.175 -0.718 19079 6960 1 10 . 1 1 48 48 ILE CB C 48 39.411 39.411 38.162 1.249 19079 6961 1 10 . 1 1 48 48 ILE H H 48 8.377 8.377 8.261 0.116 19079 6962 1 10 . 1 1 49 49 PRO HA H 49 4.571 4.571 4.436 0.135 19079 6963 1 10 . 1 1 49 49 PRO CA C 49 62.019 62.019 62.477 -0.458 19079 6964 1 10 . 1 1 49 49 PRO CB C 49 34.068 34.068 32.562 1.506 19079 6965 1 10 . 1 1 50 50 ASP N N 50 117.512 117.512 116.992 0.520 19079 6966 1 10 . 1 1 50 50 ASP HA H 50 4.847 4.847 4.992 -0.145 19079 6967 1 10 . 1 1 50 50 ASP C C 50 175.105 175.105 175.706 -0.601 19079 6968 1 10 . 1 1 50 50 ASP CA C 50 52.186 52.186 53.810 -1.624 19079 6969 1 10 . 1 1 50 50 ASP CB C 50 40.206 40.206 40.778 -0.571 19079 6970 1 10 . 1 1 50 50 ASP H H 50 7.928 7.928 8.637 -0.709 19079 6971 1 10 . 1 1 51 51 CYS N N 51 117.841 117.841 119.862 -2.021 19079 6972 1 10 . 1 1 51 51 CYS HA H 51 4.645 4.645 4.548 0.097 19079 6973 1 10 . 1 1 51 51 CYS C C 51 173.952 173.952 173.580 0.372 19079 6974 1 10 . 1 1 51 51 CYS CA C 51 57.079 57.079 59.251 -2.172 19079 6975 1 10 . 1 1 51 51 CYS CB C 51 31.834 31.834 29.538 2.296 19079 6976 1 10 . 1 1 51 51 CYS H H 51 6.998 6.998 8.441 -1.443 19079 6977 1 10 . 1 1 52 52 ASP N N 52 113.831 113.831 122.665 -8.834 19079 6978 1 10 . 1 1 52 52 ASP HA H 52 4.790 4.790 4.327 0.463 19079 6979 1 10 . 1 1 52 52 ASP C C 52 177.522 177.522 175.007 2.515 19079 6980 1 10 . 1 1 52 52 ASP CA C 52 52.266 52.266 54.732 -2.466 19079 6981 1 10 . 1 1 52 52 ASP CB C 52 41.108 41.108 38.958 2.150 19079 6982 1 10 . 1 1 52 52 ASP H H 52 7.839 7.839 8.487 -0.648 19079 6983 1 10 . 1 1 53 53 CYS N N 53 120.924 120.924 120.161 0.763 19079 6984 1 10 . 1 1 53 53 CYS HA H 53 4.176 4.176 4.450 -0.274 19079 6985 1 10 . 1 1 53 53 CYS C C 53 177.320 177.320 175.247 2.073 19079 6986 1 10 . 1 1 53 53 CYS CA C 53 62.456 62.456 58.436 4.020 19079 6987 1 10 . 1 1 53 53 CYS CB C 53 31.077 31.077 29.120 1.957 19079 6988 1 10 . 1 1 53 53 CYS H H 53 8.180 8.180 7.983 0.197 19079 6989 1 10 . 1 1 54 54 THR N N 54 108.381 108.381 110.840 -2.459 19079 6990 1 10 . 1 1 54 54 THR HA H 54 4.168 4.168 4.461 -0.293 19079 6991 1 10 . 1 1 54 54 THR C C 54 172.044 172.044 174.529 -2.485 19079 6992 1 10 . 1 1 54 54 THR CA C 54 60.645 60.645 63.476 -2.831 19079 6993 1 10 . 1 1 54 54 THR CB C 54 69.425 69.425 69.605 -0.180 19079 6994 1 10 . 1 1 54 54 THR H H 54 8.728 8.728 8.174 0.554 19079 6995 1 10 . 1 1 55 55 SER N N 55 114.465 114.465 118.401 -3.936 19079 6996 1 10 . 1 1 55 55 SER HA H 55 4.906 4.906 5.077 -0.171 19079 6997 1 10 . 1 1 55 55 SER C C 55 172.897 172.897 174.677 -1.780 19079 6998 1 10 . 1 1 55 55 SER CA C 55 56.279 56.279 57.256 -0.977 19079 6999 1 10 . 1 1 55 55 SER CB C 55 66.156 66.156 63.771 2.385 19079 7000 1 10 . 1 1 55 55 SER H H 55 7.433 7.433 7.947 -0.514 19079 7001 1 10 . 1 1 56 56 GLY N N 56 106.492 106.492 111.679 -5.187 19079 7002 1 10 . 1 1 56 56 GLY C C 56 172.400 172.400 172.498 -0.098 19079 7003 1 10 . 1 1 56 56 GLY CA C 56 46.778 46.778 44.209 2.569 19079 7004 1 10 . 1 1 56 56 GLY H H 56 8.431 8.431 8.659 -0.228 19079 7005 1 10 . 1 1 57 57 CYS N N 57 123.907 123.907 117.975 5.932 19079 7006 1 10 . 1 1 57 57 CYS HA H 57 5.755 5.755 5.707 0.048 19079 7007 1 10 . 1 1 57 57 CYS C C 57 171.012 171.012 173.008 -1.996 19079 7008 1 10 . 1 1 57 57 CYS CA C 57 54.317 54.317 56.971 -2.654 19079 7009 1 10 . 1 1 57 57 CYS CB C 57 32.040 32.040 30.339 1.701 19079 7010 1 10 . 1 1 57 57 CYS H H 57 9.782 9.782 8.666 1.116 19079 7011 1 10 . 1 1 58 58 TYR N N 58 121.251 121.251 122.084 -0.833 19079 7012 1 10 . 1 1 58 58 TYR HA H 58 6.413 6.413 5.544 0.869 19079 7013 1 10 . 1 1 58 58 TYR C C 58 172.177 172.177 173.463 -1.286 19079 7014 1 10 . 1 1 58 58 TYR CA C 58 54.179 54.179 54.351 -0.172 19079 7015 1 10 . 1 1 58 58 TYR CB C 58 44.751 44.751 41.630 3.122 19079 7016 1 10 . 1 1 58 58 TYR H H 58 9.324 9.324 8.863 0.461 19079 7017 1 10 . 1 1 59 59 TYR N N 59 119.921 119.921 125.528 -5.607 19079 7018 1 10 . 1 1 59 59 TYR HA H 59 3.155 3.155 3.551 -0.396 19079 7019 1 10 . 1 1 59 59 TYR C C 59 173.490 173.490 174.282 -0.792 19079 7020 1 10 . 1 1 59 59 TYR CA C 59 56.439 56.439 56.990 -0.551 19079 7021 1 10 . 1 1 59 59 TYR CB C 59 38.280 38.280 36.945 1.335 19079 7022 1 10 . 1 1 59 59 TYR H H 59 7.851 7.851 7.603 0.248 19079 7023 1 10 . 1 1 60 60 SER N N 60 122.333 122.333 122.572 -0.239 19079 7024 1 10 . 1 1 60 60 SER HA H 60 4.286 4.286 4.326 -0.040 19079 7025 1 10 . 1 1 60 60 SER C C 60 174.282 174.282 174.836 -0.554 19079 7026 1 10 . 1 1 60 60 SER CA C 60 54.201 54.201 56.845 -2.644 19079 7027 1 10 . 1 1 60 60 SER CB C 60 63.429 63.429 64.122 -0.693 19079 7028 1 10 . 1 1 60 60 SER H H 60 7.184 7.184 8.108 -0.924 19079 7029 1 10 . 1 1 61 61 ARG N N 61 131.876 131.876 128.707 3.169 19079 7030 1 10 . 1 1 61 61 ARG HA H 61 3.755 3.755 3.902 -0.147 19079 7031 1 10 . 1 1 61 61 ARG C C 61 179.454 179.454 177.298 2.156 19079 7032 1 10 . 1 1 61 61 ARG CA C 61 58.733 58.733 57.852 0.881 19079 7033 1 10 . 1 1 61 61 ARG CB C 61 29.216 29.216 30.104 -0.888 19079 7034 1 10 . 1 1 61 61 ARG H H 61 9.058 9.058 9.232 -0.174 19079 7035 1 10 . 1 1 62 62 SER N N 62 115.806 115.806 114.101 1.705 19079 7036 1 10 . 1 1 62 62 SER HA H 62 4.021 4.021 4.318 -0.297 19079 7037 1 10 . 1 1 62 62 SER C C 62 177.405 177.405 174.625 2.780 19079 7038 1 10 . 1 1 62 62 SER CA C 62 60.787 60.787 60.607 0.180 19079 7039 1 10 . 1 1 62 62 SER CB C 62 60.994 60.994 63.436 -2.442 19079 7040 1 10 . 1 1 62 62 SER H H 62 8.933 8.933 8.384 0.549 19079 7041 1 10 . 1 1 63 63 LEU N N 63 120.142 120.142 118.879 1.263 19079 7042 1 10 . 1 1 63 63 LEU HA H 63 4.315 4.315 4.557 -0.242 19079 7043 1 10 . 1 1 63 63 LEU C C 63 175.462 175.462 176.414 -0.952 19079 7044 1 10 . 1 1 63 63 LEU CA C 63 54.589 54.589 53.987 0.602 19079 7045 1 10 . 1 1 63 63 LEU CB C 63 41.583 41.583 42.741 -1.158 19079 7046 1 10 . 1 1 63 63 LEU H H 63 7.372 7.372 7.075 0.297 19079 7047 1 10 . 1 1 64 64 ASP N N 64 124.723 124.723 119.618 5.105 19079 7048 1 10 . 1 1 64 64 ASP HA H 64 4.308 4.308 4.078 0.230 19079 7049 1 10 . 1 1 64 64 ASP C C 64 174.405 174.405 174.478 -0.073 19079 7050 1 10 . 1 1 64 64 ASP CA C 64 54.269 54.269 55.093 -0.824 19079 7051 1 10 . 1 1 64 64 ASP CB C 64 39.892 39.892 40.227 -0.335 19079 7052 1 10 . 1 1 64 64 ASP H H 64 8.122 8.122 7.818 0.304 19079 7053 1 10 . 1 1 65 65 ARG N N 65 111.932 111.932 113.777 -1.845 19079 7054 1 10 . 1 1 65 65 ARG HA H 65 4.648 4.648 4.624 0.024 19079 7055 1 10 . 1 1 65 65 ARG C C 65 172.842 172.842 174.137 -1.295 19079 7056 1 10 . 1 1 65 65 ARG CA C 65 54.327 54.327 54.810 -0.483 19079 7057 1 10 . 1 1 65 65 ARG CB C 65 33.013 33.013 31.624 1.389 19079 7058 1 10 . 1 1 65 65 ARG H H 65 7.434 7.434 7.668 -0.234 19079 7059 1 10 . 1 1 66 66 TYR N N 66 121.286 121.286 122.201 -0.915 19079 7060 1 10 . 1 1 66 66 TYR HA H 66 4.821 4.821 4.724 0.097 19079 7061 1 10 . 1 1 66 66 TYR C C 66 176.123 176.123 176.397 -0.274 19079 7062 1 10 . 1 1 66 66 TYR CA C 66 56.752 56.752 59.364 -2.611 19079 7063 1 10 . 1 1 66 66 TYR CB C 66 41.877 41.877 39.272 2.605 19079 7064 1 10 . 1 1 66 66 TYR H H 66 8.068 8.068 8.710 -0.641 19079 7065 1 10 . 1 1 67 67 ILE N N 67 119.080 119.080 119.595 -0.515 19079 7066 1 10 . 1 1 67 67 ILE HA H 67 4.620 4.620 4.828 -0.208 19079 7067 1 10 . 1 1 67 67 ILE CA C 67 57.840 57.840 57.190 0.650 19079 7068 1 10 . 1 1 67 67 ILE CB C 67 41.191 41.191 41.514 -0.323 19079 7069 1 10 . 1 1 67 67 ILE H H 67 8.640 8.640 8.544 0.096 19079 7070 1 10 . 1 1 68 68 PRO HA H 68 4.772 4.772 4.979 -0.207 19079 7071 1 10 . 1 1 68 68 PRO CA C 68 62.709 62.709 62.656 0.053 19079 7072 1 10 . 1 1 68 68 PRO CB C 68 32.923 32.923 31.221 1.702 19079 7073 1 10 . 1 1 69 69 VAL N N 69 120.668 120.668 117.172 3.496 19079 7074 1 10 . 1 1 69 69 VAL HA H 69 4.764 4.764 4.601 0.163 19079 7075 1 10 . 1 1 69 69 VAL C C 69 171.299 171.299 173.904 -2.605 19079 7076 1 10 . 1 1 69 69 VAL CA C 69 60.758 60.758 59.373 1.385 19079 7077 1 10 . 1 1 69 69 VAL CB C 69 36.158 36.158 35.792 0.366 19079 7078 1 10 . 1 1 69 69 VAL H H 69 8.866 8.866 8.750 0.116 19079 7079 1 10 . 1 1 70 70 GLU N N 70 127.352 127.352 121.386 5.966 19079 7080 1 10 . 1 1 70 70 GLU HA H 70 4.694 4.694 5.018 -0.324 19079 7081 1 10 . 1 1 70 70 GLU C C 70 176.084 176.084 175.349 0.735 19079 7082 1 10 . 1 1 70 70 GLU CA C 70 55.438 55.438 55.083 0.355 19079 7083 1 10 . 1 1 70 70 GLU CB C 70 31.941 31.941 31.950 -0.009 19079 7084 1 10 . 1 1 70 70 GLU H H 70 8.303 8.303 8.651 -0.348 19079 7085 1 10 . 1 1 71 71 CYS N N 71 118.985 118.985 122.999 -4.014 19079 7086 1 10 . 1 1 71 71 CYS HA H 71 5.283 5.283 5.380 -0.097 19079 7087 1 10 . 1 1 71 71 CYS C C 71 173.987 173.987 173.607 0.380 19079 7088 1 10 . 1 1 71 71 CYS CA C 71 56.927 56.927 55.384 1.543 19079 7089 1 10 . 1 1 71 71 CYS CB C 71 32.056 32.056 32.066 -0.010 19079 7090 1 10 . 1 1 71 71 CYS H H 71 8.044 8.044 9.112 -1.068 19079 7091 1 10 . 1 1 72 72 GLU N N 72 119.188 119.188 117.794 1.394 19079 7092 1 10 . 1 1 72 72 GLU HA H 72 4.550 4.550 4.528 0.022 19079 7093 1 10 . 1 1 72 72 GLU C C 72 175.540 175.540 174.992 0.548 19079 7094 1 10 . 1 1 72 72 GLU CA C 72 54.422 54.422 54.214 0.208 19079 7095 1 10 . 1 1 72 72 GLU CB C 72 32.723 32.723 31.261 1.462 19079 7096 1 10 . 1 1 72 72 GLU H H 72 8.651 8.651 8.724 -0.073 19079 7097 1 10 . 1 1 73 73 ALA N N 73 128.127 128.127 127.116 1.011 19079 7098 1 10 . 1 1 73 73 ALA HA H 73 4.894 4.894 4.287 0.607 19079 7099 1 10 . 1 1 73 73 ALA C C 73 177.065 177.065 176.653 0.412 19079 7100 1 10 . 1 1 73 73 ALA CA C 73 51.934 51.934 51.611 0.323 19079 7101 1 10 . 1 1 73 73 ALA CB C 73 19.744 19.744 18.661 1.083 19079 7102 1 10 . 1 1 73 73 ALA H H 73 8.825 8.825 8.602 0.223 19079 7103 1 10 . 1 1 74 74 HIS N N 74 120.049 120.049 126.080 -6.031 19079 7104 1 10 . 1 1 74 74 HIS HA H 74 4.730 4.730 4.527 0.203 19079 7105 1 10 . 1 1 74 74 HIS C C 74 173.973 173.973 175.356 -1.383 19079 7106 1 10 . 1 1 74 74 HIS CA C 74 54.940 54.940 55.382 -0.442 19079 7107 1 10 . 1 1 74 74 HIS CB C 74 32.641 32.641 30.787 1.854 19079 7108 1 10 . 1 1 74 74 HIS H H 74 8.813 8.813 8.879 -0.066 19079 7109 1 10 . 1 1 75 75 ASP N N 75 125.469 125.469 126.239 -0.770 19079 7110 1 10 . 1 1 75 75 ASP HA H 75 4.619 4.619 4.473 0.145 19079 7111 1 10 . 1 1 75 75 ASP CA C 75 57.576 57.576 57.642 -0.066 19079 7112 1 10 . 1 1 75 75 ASP CB C 75 42.215 42.215 41.398 0.817 19079 7113 1 10 . 1 1 75 75 ASP H H 75 8.951 8.951 8.892 0.059 19079 7114 1 10 . 1 1 76 76 TRP N N 76 113.768 113.768 114.815 -1.047 19079 7115 1 10 . 1 1 76 76 TRP HA H 76 5.455 5.455 5.838 -0.383 19079 7116 1 10 . 1 1 76 76 TRP CA C 76 54.833 54.833 55.136 -0.303 19079 7117 1 10 . 1 1 76 76 TRP CB C 76 31.701 31.701 32.185 -0.484 19079 7118 1 10 . 1 1 76 76 TRP H H 76 7.574 7.574 7.232 0.342 19079 7119 1 10 . 1 1 77 77 TYR N N 77 122.650 122.650 119.268 3.382 19079 7120 1 10 . 1 1 77 77 TYR CA C 77 57.248 57.248 57.005 0.243 19079 7121 1 10 . 1 1 77 77 TYR CB C 77 33.700 33.700 41.242 -7.542 19079 7122 1 10 . 1 1 77 77 TYR H H 77 8.981 8.981 8.795 0.186 19079 7123 1 10 . 1 1 78 78 PRO HA H 78 4.493 4.493 4.779 -0.286 19079 7124 1 10 . 1 1 78 78 PRO CA C 78 62.242 62.242 62.704 -0.462 19079 7125 1 10 . 1 1 78 78 PRO CB C 78 31.237 31.237 32.452 -1.215 19079 7126 1 10 . 1 1 79 79 VAL N N 79 123.871 123.871 123.479 0.392 19079 7127 1 10 . 1 1 79 79 VAL HA H 79 3.953 3.953 4.469 -0.516 19079 7128 1 10 . 1 1 79 79 VAL C C 79 174.991 174.991 174.458 0.533 19079 7129 1 10 . 1 1 79 79 VAL CA C 79 61.545 61.545 59.693 1.853 19079 7130 1 10 . 1 1 79 79 VAL CB C 79 33.090 33.090 33.920 -0.830 19079 7131 1 10 . 1 1 79 79 VAL H H 79 8.512 8.512 8.941 -0.429 19079 7132 1 10 . 1 1 80 80 GLU N N 80 124.050 124.050 128.865 -4.815 19079 7133 1 10 . 1 1 80 80 GLU HA H 80 4.072 4.072 4.139 -0.067 19079 7134 1 10 . 1 1 80 80 GLU C C 80 175.607 175.607 175.656 -0.049 19079 7135 1 10 . 1 1 80 80 GLU CA C 80 56.291 56.291 56.676 -0.385 19079 7136 1 10 . 1 1 80 80 GLU CB C 80 30.272 30.272 29.483 0.789 19079 7137 1 10 . 1 1 80 80 GLU H H 80 8.068 8.068 8.409 -0.341 19079 7138 1 10 . 1 1 81 81 GLU N N 81 120.701 120.701 123.790 -3.089 19079 7139 1 10 . 1 1 81 81 GLU HA H 81 4.194 4.194 4.176 0.018 19079 7140 1 10 . 1 1 81 81 GLU C C 81 175.817 175.817 176.523 -0.706 19079 7141 1 10 . 1 1 81 81 GLU CA C 81 57.390 57.390 58.010 -0.620 19079 7142 1 10 . 1 1 81 81 GLU CB C 81 30.713 30.713 29.014 1.699 19079 7143 1 10 . 1 1 81 81 GLU H H 81 8.751 8.751 8.753 -0.002 19079 7144 1 10 . 1 1 82 82 THR N N 82 115.162 115.162 120.315 -5.153 19079 7145 1 10 . 1 1 82 82 THR HA H 82 4.688 4.688 4.601 0.087 19079 7146 1 10 . 1 1 82 82 THR CA C 82 60.041 60.041 59.680 0.361 19079 7147 1 10 . 1 1 82 82 THR CB C 82 73.866 73.866 70.608 3.258 19079 7148 1 10 . 1 1 82 82 THR H H 82 8.631 8.631 8.847 -0.216 19079 7149 1 10 . 1 1 83 83 GLN N N 83 116.650 116.650 119.488 -2.838 19079 7150 1 10 . 1 1 83 83 GLN HA H 83 4.629 4.629 3.991 0.638 19079 7151 1 10 . 1 1 83 83 GLN CA C 83 57.643 57.643 58.041 -0.398 19079 7152 1 10 . 1 1 83 83 GLN CB C 83 30.537 30.537 28.227 2.310 19079 7153 1 10 . 1 1 83 83 GLN H H 83 8.714 8.714 8.559 0.155 19079 7154 1 10 . 1 1 86 86 PRO HA H 86 4.779 4.779 4.515 0.264 19079 7155 1 10 . 1 1 86 86 PRO CA C 86 62.018 62.018 62.497 -0.479 19079 7156 1 10 . 1 1 86 86 PRO CB C 86 32.818 32.818 33.025 -0.207 19079 7157 1 10 . 1 1 87 87 LYS N N 87 123.136 123.136 120.298 2.838 19079 7158 1 10 . 1 1 87 87 LYS HA H 87 4.545 4.545 4.365 0.180 19079 7159 1 10 . 1 1 87 87 LYS C C 87 176.411 176.411 176.585 -0.174 19079 7160 1 10 . 1 1 87 87 LYS CA C 87 57.800 57.800 57.515 0.285 19079 7161 1 10 . 1 1 87 87 LYS CB C 87 32.322 32.322 32.526 -0.204 19079 7162 1 10 . 1 1 87 87 LYS H H 87 8.936 8.936 8.269 0.667 19079 7163 1 10 . 1 1 88 88 HIS N N 88 119.788 119.788 121.477 -1.689 19079 7164 1 10 . 1 1 88 88 HIS HA H 88 4.973 4.973 4.585 0.388 19079 7165 1 10 . 1 1 88 88 HIS C C 88 171.431 171.431 172.970 -1.539 19079 7166 1 10 . 1 1 88 88 HIS CA C 88 55.171 55.171 56.072 -0.901 19079 7167 1 10 . 1 1 88 88 HIS CB C 88 29.695 29.695 33.410 -3.715 19079 7168 1 10 . 1 1 88 88 HIS H H 88 8.490 8.490 8.354 0.136 19079 7169 1 10 . 1 1 89 89 ILE N N 89 120.371 120.371 120.343 0.028 19079 7170 1 10 . 1 1 89 89 ILE HA H 89 4.453 4.453 4.689 -0.236 19079 7171 1 10 . 1 1 89 89 ILE C C 89 176.167 176.167 175.036 1.131 19079 7172 1 10 . 1 1 89 89 ILE CA C 89 60.066 60.066 59.030 1.036 19079 7173 1 10 . 1 1 89 89 ILE CB C 89 38.855 38.855 39.695 -0.840 19079 7174 1 10 . 1 1 89 89 ILE H H 89 8.417 8.417 8.482 -0.065 19079 7175 1 10 . 1 1 90 90 GLN N N 90 122.913 122.913 121.087 1.826 19079 7176 1 10 . 1 1 90 90 GLN HA H 90 5.313 5.313 4.317 0.996 19079 7177 1 10 . 1 1 90 90 GLN CA C 90 54.194 54.194 53.418 0.776 19079 7178 1 10 . 1 1 90 90 GLN CB C 90 32.780 32.780 32.745 0.035 19079 7179 1 10 . 1 1 90 90 GLN H H 90 8.286 8.286 9.059 -0.772 19079 7180 1 10 . 1 1 91 91 TYR N N 91 117.779 117.779 116.441 1.338 19079 7181 1 10 . 1 1 91 91 TYR HA H 91 5.394 5.394 5.082 0.312 19079 7182 1 10 . 1 1 91 91 TYR C C 91 175.762 175.762 175.559 0.203 19079 7183 1 10 . 1 1 91 91 TYR CA C 91 56.672 56.672 56.093 0.580 19079 7184 1 10 . 1 1 91 91 TYR CB C 91 41.701 41.701 41.681 0.020 19079 7185 1 10 . 1 1 91 91 TYR H H 91 8.086 8.086 8.319 -0.233 19079 7186 1 10 . 1 1 92 92 ASN N N 92 113.182 113.182 114.684 -1.502 19079 7187 1 10 . 1 1 92 92 ASN HA H 92 4.558 4.558 4.380 0.178 19079 7188 1 10 . 1 1 92 92 ASN C C 92 172.369 172.369 174.181 -1.812 19079 7189 1 10 . 1 1 92 92 ASN CA C 92 55.522 55.522 54.078 1.444 19079 7190 1 10 . 1 1 92 92 ASN CB C 92 37.732 37.732 36.899 0.833 19079 7191 1 10 . 1 1 92 92 ASN H H 92 8.529 8.529 8.766 -0.237 19079 7192 1 10 . 1 1 93 93 LEU N N 93 117.359 117.359 119.811 -2.452 19079 7193 1 10 . 1 1 93 93 LEU HA H 93 5.455 5.455 4.845 0.610 19079 7194 1 10 . 1 1 93 93 LEU C C 93 177.709 177.709 175.591 2.118 19079 7195 1 10 . 1 1 93 93 LEU CA C 93 54.341 54.341 54.460 -0.119 19079 7196 1 10 . 1 1 93 93 LEU CB C 93 47.006 47.006 42.827 4.179 19079 7197 1 10 . 1 1 93 93 LEU H H 93 7.846 7.846 8.242 -0.396 19079 7198 1 10 . 1 1 94 94 LEU N N 94 123.298 123.298 126.182 -2.884 19079 7199 1 10 . 1 1 94 94 LEU HA H 94 5.014 5.014 5.124 -0.110 19079 7200 1 10 . 1 1 94 94 LEU C C 94 175.771 175.771 176.285 -0.514 19079 7201 1 10 . 1 1 94 94 LEU CA C 94 53.889 53.889 53.458 0.431 19079 7202 1 10 . 1 1 94 94 LEU CB C 94 44.784 44.784 42.204 2.580 19079 7203 1 10 . 1 1 94 94 LEU H H 94 9.155 9.155 8.807 0.348 19079 7204 1 10 . 1 1 95 95 ILE N N 95 121.585 121.585 125.109 -3.524 19079 7205 1 10 . 1 1 95 95 ILE HA H 95 5.166 5.166 4.530 0.635 19079 7206 1 10 . 1 1 95 95 ILE C C 95 175.885 175.885 175.232 0.653 19079 7207 1 10 . 1 1 95 95 ILE CA C 95 59.795 59.795 59.173 0.622 19079 7208 1 10 . 1 1 95 95 ILE CB C 95 39.820 39.820 38.847 0.973 19079 7209 1 10 . 1 1 95 95 ILE H H 95 8.920 8.920 7.735 1.185 19079 7210 1 10 . 1 1 96 96 GLY N N 96 115.891 115.891 114.790 1.101 19079 7211 1 10 . 1 1 96 96 GLY C C 96 171.937 171.937 172.624 -0.687 19079 7212 1 10 . 1 1 96 96 GLY CA C 96 44.865 44.865 44.747 0.118 19079 7213 1 10 . 1 1 96 96 GLY H H 96 9.223 9.223 8.507 0.716 19079 7214 1 10 . 1 1 97 97 GLU N N 97 119.340 119.340 125.769 -6.429 19079 7215 1 10 . 1 1 97 97 GLU HA H 97 4.831 4.831 4.458 0.373 19079 7216 1 10 . 1 1 97 97 GLU C C 97 175.567 175.567 175.921 -0.354 19079 7217 1 10 . 1 1 97 97 GLU CA C 97 55.736 55.736 56.743 -1.007 19079 7218 1 10 . 1 1 97 97 GLU CB C 97 31.009 31.009 30.358 0.651 19079 7219 1 10 . 1 1 97 97 GLU H H 97 8.197 8.197 8.466 -0.269 19079 7220 1 10 . 1 1 98 98 GLY N N 98 113.912 113.912 112.598 1.314 19079 7221 1 10 . 1 1 98 98 GLY CA C 98 45.089 45.089 43.657 1.431 19079 7222 1 10 . 1 1 98 98 GLY H H 98 7.767 7.767 7.434 0.333 19079 7223 1 10 . 1 1 99 99 PRO HA H 99 4.347 4.347 4.538 -0.191 19079 7224 1 10 . 1 1 99 99 PRO CA C 99 62.396 62.396 62.763 -0.367 19079 7225 1 10 . 1 1 99 99 PRO CB C 99 32.558 32.558 32.697 -0.139 19079 7226 1 10 . 1 1 100 100 CYS N N 100 122.972 122.972 121.281 1.691 19079 7227 1 10 . 1 1 100 100 CYS HA H 100 4.567 4.567 4.617 -0.050 19079 7228 1 10 . 1 1 100 100 CYS C C 100 172.077 172.077 173.107 -1.030 19079 7229 1 10 . 1 1 100 100 CYS CA C 100 60.097 60.097 57.541 2.556 19079 7230 1 10 . 1 1 100 100 CYS CB C 100 28.063 28.063 29.442 -1.379 19079 7231 1 10 . 1 1 100 100 CYS H H 100 8.219 8.219 8.284 -0.065 19079 7232 1 10 . 1 1 101 101 VAL N N 101 123.973 123.973 123.404 0.569 19079 7233 1 10 . 1 1 101 101 VAL HA H 101 4.888 4.888 4.519 0.369 19079 7234 1 10 . 1 1 101 101 VAL CA C 101 58.947 58.947 58.290 0.657 19079 7235 1 10 . 1 1 101 101 VAL CB C 101 32.322 32.322 33.520 -1.198 19079 7236 1 10 . 1 1 101 101 VAL H H 101 8.662 8.662 8.157 0.505 19079 7237 1 10 . 1 1 103 103 GLY C C 103 175.333 175.333 175.246 0.087 19079 7238 1 10 . 1 1 103 103 GLY CA C 103 45.683 45.683 45.526 0.157 19079 7239 1 10 . 1 1 104 104 ASP N N 104 121.740 121.740 123.853 -2.113 19079 7240 1 10 . 1 1 104 104 ASP HA H 104 4.836 4.836 4.429 0.407 19079 7241 1 10 . 1 1 104 104 ASP C C 104 176.601 176.601 175.801 0.800 19079 7242 1 10 . 1 1 104 104 ASP CA C 104 54.700 54.700 56.012 -1.312 19079 7243 1 10 . 1 1 104 104 ASP CB C 104 41.322 41.322 41.043 0.279 19079 7244 1 10 . 1 1 104 104 ASP H H 104 8.217 8.217 8.009 0.208 19079 7245 1 10 . 1 1 105 105 ALA N N 105 121.750 121.750 120.134 1.616 19079 7246 1 10 . 1 1 105 105 ALA HA H 105 3.707 3.707 4.013 -0.306 19079 7247 1 10 . 1 1 105 105 ALA C C 105 175.218 175.218 177.359 -2.141 19079 7248 1 10 . 1 1 105 105 ALA CA C 105 54.002 54.002 53.552 0.450 19079 7249 1 10 . 1 1 105 105 ALA CB C 105 18.021 18.021 18.550 -0.529 19079 7250 1 10 . 1 1 105 105 ALA H H 105 7.672 7.672 8.167 -0.495 19079 7251 1 10 . 1 1 106 106 GLY N N 106 110.675 110.675 110.855 -0.180 19079 7252 1 10 . 1 1 106 106 GLY C C 106 174.112 174.112 174.665 -0.553 19079 7253 1 10 . 1 1 106 106 GLY CA C 106 45.354 45.354 44.635 0.719 19079 7254 1 10 . 1 1 106 106 GLY H H 106 8.781 8.781 8.035 0.746 19079 7255 1 10 . 1 1 107 107 GLY N N 107 104.052 104.052 110.557 -6.505 19079 7256 1 10 . 1 1 107 107 GLY C C 107 173.970 173.970 174.350 -0.380 19079 7257 1 10 . 1 1 107 107 GLY CA C 107 46.405 46.405 45.068 1.337 19079 7258 1 10 . 1 1 107 107 GLY H H 107 7.727 7.727 7.870 -0.143 19079 7259 1 10 . 1 1 108 108 LYS N N 108 122.212 122.212 125.458 -3.246 19079 7260 1 10 . 1 1 108 108 LYS HA H 108 4.442 4.442 4.137 0.305 19079 7261 1 10 . 1 1 108 108 LYS C C 108 175.056 175.056 175.704 -0.648 19079 7262 1 10 . 1 1 108 108 LYS CA C 108 58.497 58.497 56.211 2.286 19079 7263 1 10 . 1 1 108 108 LYS CB C 108 36.053 36.053 32.986 3.067 19079 7264 1 10 . 1 1 108 108 LYS H H 108 8.553 8.553 8.346 0.207 19079 7265 1 10 . 1 1 109 109 LEU N N 109 119.300 119.300 128.598 -9.298 19079 7266 1 10 . 1 1 109 109 LEU HA H 109 4.881 4.881 4.950 -0.069 19079 7267 1 10 . 1 1 109 109 LEU C C 109 175.017 175.017 174.749 0.268 19079 7268 1 10 . 1 1 109 109 LEU CA C 109 53.372 53.372 53.708 -0.336 19079 7269 1 10 . 1 1 109 109 LEU CB C 109 43.275 43.275 42.685 0.590 19079 7270 1 10 . 1 1 109 109 LEU H H 109 8.065 8.065 8.854 -0.789 19079 7271 1 10 . 1 1 110 110 LEU N N 110 126.757 126.757 127.967 -1.210 19079 7272 1 10 . 1 1 110 110 LEU HA H 110 5.498 5.498 4.773 0.725 19079 7273 1 10 . 1 1 110 110 LEU C C 110 176.125 176.125 175.858 0.267 19079 7274 1 10 . 1 1 110 110 LEU CA C 110 55.318 55.318 54.532 0.786 19079 7275 1 10 . 1 1 110 110 LEU CB C 110 44.799 44.799 43.841 0.958 19079 7276 1 10 . 1 1 110 110 LEU H H 110 9.450 9.450 9.093 0.357 19079 7277 1 10 . 1 1 111 111 CYS N N 111 118.897 118.897 121.068 -2.171 19079 7278 1 10 . 1 1 111 111 CYS HA H 111 5.254 5.254 4.834 0.420 19079 7279 1 10 . 1 1 111 111 CYS C C 111 177.063 177.063 175.802 1.261 19079 7280 1 10 . 1 1 111 111 CYS CA C 111 57.201 57.201 56.499 0.702 19079 7281 1 10 . 1 1 111 111 CYS CB C 111 32.532 32.532 30.692 1.840 19079 7282 1 10 . 1 1 111 111 CYS H H 111 8.575 8.575 8.672 -0.097 19079 7283 1 10 . 1 1 112 112 ARG N N 112 116.382 116.382 120.088 -3.706 19079 7284 1 10 . 1 1 112 112 ARG HA H 112 3.918 3.918 3.928 -0.010 19079 7285 1 10 . 1 1 112 112 ARG C C 112 176.892 176.892 177.436 -0.544 19079 7286 1 10 . 1 1 112 112 ARG CA C 112 59.714 59.714 58.750 0.964 19079 7287 1 10 . 1 1 112 112 ARG CB C 112 29.874 29.874 29.558 0.316 19079 7288 1 10 . 1 1 112 112 ARG H H 112 8.350 8.350 8.614 -0.264 19079 7289 1 10 . 1 1 113 113 HIS N N 113 121.579 121.579 113.423 8.156 19079 7290 1 10 . 1 1 113 113 HIS HA H 113 4.480 4.480 4.730 -0.250 19079 7291 1 10 . 1 1 113 113 HIS C C 113 175.439 175.439 175.858 -0.419 19079 7292 1 10 . 1 1 113 113 HIS CA C 113 58.739 58.739 56.349 2.389 19079 7293 1 10 . 1 1 113 113 HIS CB C 113 31.050 31.050 30.783 0.267 19079 7294 1 10 . 1 1 113 113 HIS H H 113 10.445 10.445 7.267 3.178 19079 7295 1 10 . 1 1 114 114 GLY N N 114 108.273 108.273 104.857 3.416 19079 7296 1 10 . 1 1 114 114 GLY C C 114 169.307 169.307 172.959 -3.652 19079 7297 1 10 . 1 1 114 114 GLY CA C 114 45.413 45.413 45.207 0.206 19079 7298 1 10 . 1 1 114 114 GLY H H 114 7.689 7.689 7.383 0.306 19079 7299 1 10 . 1 1 115 115 VAL N N 115 120.998 120.998 121.903 -0.905 19079 7300 1 10 . 1 1 115 115 VAL HA H 115 4.476 4.476 3.983 0.493 19079 7301 1 10 . 1 1 115 115 VAL C C 115 173.881 173.881 176.574 -2.693 19079 7302 1 10 . 1 1 115 115 VAL CA C 115 62.513 62.513 64.082 -1.569 19079 7303 1 10 . 1 1 115 115 VAL CB C 115 32.113 32.113 31.272 0.841 19079 7304 1 10 . 1 1 115 115 VAL H H 115 8.455 8.455 8.609 -0.154 19079 7305 1 10 . 1 1 116 116 ILE N N 116 114.566 114.566 118.940 -4.374 19079 7306 1 10 . 1 1 116 116 ILE HA H 116 4.603 4.603 4.509 0.094 19079 7307 1 10 . 1 1 116 116 ILE C C 116 175.445 175.445 174.410 1.035 19079 7308 1 10 . 1 1 116 116 ILE CA C 116 61.470 61.470 60.165 1.305 19079 7309 1 10 . 1 1 116 116 ILE CB C 116 40.782 40.782 38.597 2.185 19079 7310 1 10 . 1 1 116 116 ILE H H 116 8.460 8.460 9.005 -0.545 19079 7311 1 10 . 1 1 117 117 GLY N N 117 106.195 106.195 107.280 -1.085 19079 7312 1 10 . 1 1 117 117 GLY C C 117 171.664 171.664 171.817 -0.153 19079 7313 1 10 . 1 1 117 117 GLY CA C 117 46.303 46.303 45.683 0.620 19079 7314 1 10 . 1 1 117 117 GLY H H 117 7.827 7.827 7.411 0.416 19079 7315 1 10 . 1 1 118 118 ILE N N 118 109.501 109.501 116.404 -6.903 19079 7316 1 10 . 1 1 118 118 ILE HA H 118 5.611 5.611 5.395 0.216 19079 7317 1 10 . 1 1 118 118 ILE C C 118 176.642 176.642 175.734 0.908 19079 7318 1 10 . 1 1 118 118 ILE CA C 118 58.787 58.787 57.951 0.836 19079 7319 1 10 . 1 1 118 118 ILE CB C 118 43.351 43.351 41.813 1.538 19079 7320 1 10 . 1 1 118 118 ILE H H 118 7.571 7.571 8.004 -0.433 19079 7321 1 10 . 1 1 119 119 ILE N N 119 124.258 124.258 120.478 3.780 19079 7322 1 10 . 1 1 119 119 ILE HA H 119 3.774 3.774 4.290 -0.516 19079 7323 1 10 . 1 1 119 119 ILE C C 119 177.447 177.447 176.427 1.020 19079 7324 1 10 . 1 1 119 119 ILE CA C 119 64.399 64.399 62.735 1.664 19079 7325 1 10 . 1 1 119 119 ILE CB C 119 39.393 39.393 37.171 2.222 19079 7326 1 10 . 1 1 119 119 ILE H H 119 9.465 9.465 8.254 1.211 19079 7327 1 10 . 1 1 120 120 THR N N 120 122.153 122.153 122.975 -0.822 19079 7328 1 10 . 1 1 120 120 THR HA H 120 4.670 4.670 4.462 0.208 19079 7329 1 10 . 1 1 120 120 THR C C 120 171.416 171.416 172.988 -1.572 19079 7330 1 10 . 1 1 120 120 THR CA C 120 61.440 61.440 60.514 0.926 19079 7331 1 10 . 1 1 120 120 THR CB C 120 70.455 70.455 69.224 1.231 19079 7332 1 10 . 1 1 120 120 THR H H 120 9.400 9.400 9.030 0.370 19079 7333 1 10 . 1 1 121 121 ALA N N 121 124.014 124.014 120.720 3.294 19079 7334 1 10 . 1 1 121 121 ALA HA H 121 4.583 4.583 4.496 0.087 19079 7335 1 10 . 1 1 121 121 ALA C C 121 173.695 173.695 174.586 -0.891 19079 7336 1 10 . 1 1 121 121 ALA CA C 121 51.833 51.833 52.478 -0.645 19079 7337 1 10 . 1 1 121 121 ALA CB C 121 22.523 22.523 21.047 1.476 19079 7338 1 10 . 1 1 121 121 ALA H H 121 7.885 7.885 7.221 0.664 19079 7339 1 10 . 1 1 122 122 GLY N N 122 103.252 103.252 108.543 -5.291 19079 7340 1 10 . 1 1 122 122 GLY C C 122 172.124 172.124 173.337 -1.213 19079 7341 1 10 . 1 1 122 122 GLY CA C 122 45.917 45.917 45.580 0.337 19079 7342 1 10 . 1 1 122 122 GLY H H 122 7.828 7.828 8.127 -0.299 19079 7343 1 10 . 1 1 123 123 GLY N N 123 107.688 107.688 111.568 -3.880 19079 7344 1 10 . 1 1 123 123 GLY C C 123 174.470 174.470 173.227 1.243 19079 7345 1 10 . 1 1 123 123 GLY CA C 123 45.051 45.051 44.462 0.589 19079 7346 1 10 . 1 1 123 123 GLY H H 123 8.285 8.285 8.338 -0.053 19079 7347 1 10 . 1 1 124 124 ASP N N 124 120.288 120.288 119.334 0.954 19079 7348 1 10 . 1 1 124 124 ASP HA H 124 4.621 4.621 4.246 0.375 19079 7349 1 10 . 1 1 124 124 ASP C C 124 176.061 176.061 176.489 -0.428 19079 7350 1 10 . 1 1 124 124 ASP CA C 124 55.465 55.465 55.345 0.120 19079 7351 1 10 . 1 1 124 124 ASP CB C 124 40.111 40.111 40.263 -0.152 19079 7352 1 10 . 1 1 124 124 ASP H H 124 9.054 9.054 7.627 1.427 19079 7353 1 10 . 1 1 125 125 GLY N N 125 105.482 105.482 108.916 -3.434 19079 7354 1 10 . 1 1 125 125 GLY C C 125 174.566 174.566 172.637 1.929 19079 7355 1 10 . 1 1 125 125 GLY CA C 125 45.493 45.493 45.228 0.265 19079 7356 1 10 . 1 1 125 125 GLY H H 125 8.567 8.567 8.350 0.217 19079 7357 1 10 . 1 1 126 126 HIS N N 126 117.677 117.677 118.925 -1.248 19079 7358 1 10 . 1 1 126 126 HIS HA H 126 5.449 5.449 4.767 0.682 19079 7359 1 10 . 1 1 126 126 HIS C C 126 172.058 172.058 173.086 -1.028 19079 7360 1 10 . 1 1 126 126 HIS CA C 126 54.653 54.653 54.583 0.070 19079 7361 1 10 . 1 1 126 126 HIS CB C 126 31.709 31.709 31.908 -0.199 19079 7362 1 10 . 1 1 126 126 HIS H H 126 7.852 7.852 7.566 0.286 19079 7363 1 10 . 1 1 127 127 VAL N N 127 121.145 121.145 125.449 -4.304 19079 7364 1 10 . 1 1 127 127 VAL HA H 127 4.230 4.230 4.529 -0.299 19079 7365 1 10 . 1 1 127 127 VAL C C 127 170.317 170.317 172.956 -2.639 19079 7366 1 10 . 1 1 127 127 VAL CA C 127 60.125 60.125 59.362 0.763 19079 7367 1 10 . 1 1 127 127 VAL CB C 127 34.681 34.681 34.132 0.549 19079 7368 1 10 . 1 1 127 127 VAL H H 127 8.857 8.857 7.968 0.889 19079 7369 1 10 . 1 1 128 128 ALA N N 128 127.867 127.867 131.138 -3.271 19079 7370 1 10 . 1 1 128 128 ALA HA H 128 5.222 5.222 4.787 0.435 19079 7371 1 10 . 1 1 128 128 ALA C C 128 175.506 175.506 175.620 -0.114 19079 7372 1 10 . 1 1 128 128 ALA CA C 128 49.199 49.199 49.511 -0.312 19079 7373 1 10 . 1 1 128 128 ALA CB C 128 21.731 21.731 20.948 0.783 19079 7374 1 10 . 1 1 128 128 ALA H H 128 8.400 8.400 8.256 0.144 19079 7375 1 10 . 1 1 129 129 PHE N N 129 121.202 121.202 120.099 1.103 19079 7376 1 10 . 1 1 129 129 PHE HA H 129 5.301 5.301 5.311 -0.010 19079 7377 1 10 . 1 1 129 129 PHE C C 129 176.082 176.082 175.817 0.265 19079 7378 1 10 . 1 1 129 129 PHE CA C 129 54.759 54.759 55.776 -1.017 19079 7379 1 10 . 1 1 129 129 PHE CB C 129 41.372 41.372 42.632 -1.260 19079 7380 1 10 . 1 1 129 129 PHE H H 129 9.689 9.689 8.828 0.861 19079 7381 1 10 . 1 1 130 130 THR N N 130 121.809 121.809 118.393 3.416 19079 7382 1 10 . 1 1 130 130 THR HA H 130 4.573 4.573 4.470 0.103 19079 7383 1 10 . 1 1 130 130 THR C C 130 173.050 173.050 173.989 -0.939 19079 7384 1 10 . 1 1 130 130 THR CA C 130 63.487 63.487 61.528 1.959 19079 7385 1 10 . 1 1 130 130 THR CB C 130 70.852 70.852 69.459 1.393 19079 7386 1 10 . 1 1 130 130 THR H H 130 8.848 8.848 9.111 -0.263 19079 7387 1 10 . 1 1 131 131 ASP N N 131 128.382 128.382 129.876 -1.494 19079 7388 1 10 . 1 1 131 131 ASP HA H 131 4.915 4.915 4.856 0.059 19079 7389 1 10 . 1 1 131 131 ASP C C 131 175.616 175.616 176.754 -1.138 19079 7390 1 10 . 1 1 131 131 ASP CA C 131 52.924 52.924 55.141 -2.217 19079 7391 1 10 . 1 1 131 131 ASP CB C 131 41.513 41.513 41.172 0.341 19079 7392 1 10 . 1 1 131 131 ASP H H 131 8.722 8.722 8.359 0.363 19079 7393 1 10 . 1 1 132 132 LEU N N 132 123.250 123.250 125.099 -1.849 19079 7394 1 10 . 1 1 132 132 LEU HA H 132 4.325 4.325 4.265 0.060 19079 7395 1 10 . 1 1 132 132 LEU C C 132 179.704 179.704 178.187 1.517 19079 7396 1 10 . 1 1 132 132 LEU CA C 132 55.286 55.286 55.891 -0.605 19079 7397 1 10 . 1 1 132 132 LEU CB C 132 42.640 42.640 41.792 0.848 19079 7398 1 10 . 1 1 132 132 LEU H H 132 8.788 8.788 7.743 1.045 19079 7399 1 10 . 1 1 133 133 ARG N N 133 119.561 119.561 121.304 -1.743 19079 7400 1 10 . 1 1 133 133 ARG HA H 133 3.977 3.977 4.263 -0.286 19079 7401 1 10 . 1 1 133 133 ARG C C 133 177.476 177.476 176.423 1.053 19079 7402 1 10 . 1 1 133 133 ARG CA C 133 61.799 61.799 60.922 0.877 19079 7403 1 10 . 1 1 133 133 ARG CB C 133 27.601 27.601 28.256 -0.655 19079 7404 1 10 . 1 1 133 133 ARG H H 133 8.961 8.961 7.860 1.101 19079 7405 1 10 . 1 1 134 134 PRO HA H 134 4.284 4.284 4.380 -0.096 19079 7406 1 10 . 1 1 134 134 PRO C C 134 175.695 175.695 176.753 -1.058 19079 7407 1 10 . 1 1 134 134 PRO CA C 134 64.508 64.508 64.261 0.247 19079 7408 1 10 . 1 1 134 134 PRO CB C 134 31.008 31.008 31.440 -0.432 19079 7409 1 10 . 1 1 135 135 TYR N N 135 114.745 114.745 117.467 -2.722 19079 7410 1 10 . 1 1 135 135 TYR HA H 135 4.420 4.420 4.488 -0.068 19079 7411 1 10 . 1 1 135 135 TYR C C 135 175.146 175.146 175.916 -0.770 19079 7412 1 10 . 1 1 135 135 TYR CA C 135 57.322 57.322 59.595 -2.273 19079 7413 1 10 . 1 1 135 135 TYR CB C 135 39.549 39.549 39.205 0.344 19079 7414 1 10 . 1 1 135 135 TYR H H 135 7.419 7.419 7.886 -0.467 19079 7415 1 10 . 1 1 136 136 ASN N N 136 119.088 119.088 115.940 3.148 19079 7416 1 10 . 1 1 136 136 ASN HA H 136 4.622 4.622 4.932 -0.310 19079 7417 1 10 . 1 1 136 136 ASN C C 136 175.650 175.650 174.832 0.818 19079 7418 1 10 . 1 1 136 136 ASN CA C 136 53.601 53.601 51.161 2.440 19079 7419 1 10 . 1 1 136 136 ASN CB C 136 38.741 38.741 40.714 -1.973 19079 7420 1 10 . 1 1 136 136 ASN H H 136 7.245 7.245 7.568 -0.323 19079 7421 1 10 . 1 1 137 137 ILE N N 137 126.031 126.031 121.680 4.351 19079 7422 1 10 . 1 1 137 137 ILE HA H 137 4.135 4.135 4.263 -0.129 19079 7423 1 10 . 1 1 137 137 ILE C C 137 175.636 175.636 176.480 -0.844 19079 7424 1 10 . 1 1 137 137 ILE CA C 137 61.215 61.215 60.145 1.071 19079 7425 1 10 . 1 1 137 137 ILE CB C 137 38.380 38.380 34.917 3.463 19079 7426 1 10 . 1 1 137 137 ILE H H 137 7.849 7.849 8.626 -0.777 19079 7427 1 10 . 1 1 138 138 LYS N N 138 125.271 125.271 124.319 0.952 19079 7428 1 10 . 1 1 138 138 LYS HA H 138 4.368 4.368 4.396 -0.028 19079 7429 1 10 . 1 1 138 138 LYS C C 138 176.110 176.110 176.064 0.046 19079 7430 1 10 . 1 1 138 138 LYS CA C 138 55.906 55.906 58.431 -2.525 19079 7431 1 10 . 1 1 138 138 LYS CB C 138 33.564 33.564 32.573 0.991 19079 7432 1 10 . 1 1 138 138 LYS H H 138 8.171 8.171 7.966 0.205 19079 7433 1 10 . 1 1 139 139 ALA N N 139 124.226 124.226 119.665 4.561 19079 7434 1 10 . 1 1 139 139 ALA HA H 139 4.384 4.384 4.371 0.013 19079 7435 1 10 . 1 1 139 139 ALA C C 139 177.788 177.788 175.786 2.002 19079 7436 1 10 . 1 1 139 139 ALA CA C 139 52.522 52.522 51.788 0.735 19079 7437 1 10 . 1 1 139 139 ALA CB C 139 19.531 19.531 19.410 0.121 19079 7438 1 10 . 1 1 139 139 ALA H H 139 8.207 8.207 7.982 0.225 19079 7439 1 10 . 1 1 140 140 THR N N 140 112.869 112.869 114.731 -1.862 19079 7440 1 10 . 1 1 140 140 THR HA H 140 4.390 4.390 4.571 -0.181 19079 7441 1 10 . 1 1 140 140 THR C C 140 174.522 174.522 173.949 0.573 19079 7442 1 10 . 1 1 140 140 THR CA C 140 61.685 61.685 61.636 0.049 19079 7443 1 10 . 1 1 140 140 THR CB C 140 69.961 69.961 69.870 0.091 19079 7444 1 10 . 1 1 140 140 THR H H 140 8.094 8.094 7.930 0.164 19079 7445 1 10 . 1 1 141 141 SER N N 141 118.138 118.138 119.631 -1.493 19079 7446 1 10 . 1 1 141 141 SER HA H 141 4.500 4.500 4.628 -0.128 19079 7447 1 10 . 1 1 141 141 SER C C 141 173.503 173.503 173.743 -0.240 19079 7448 1 10 . 1 1 141 141 SER CA C 141 58.315 58.315 57.812 0.503 19079 7449 1 10 . 1 1 141 141 SER CB C 141 64.039 64.039 62.343 1.696 19079 7450 1 10 . 1 1 141 141 SER H H 141 8.209 8.209 8.528 -0.320 19079 7451 1 11 . 1 1 2 2 PRO HA H 2 4.360 4.360 4.502 -0.142 19079 7452 1 11 . 1 1 2 2 PRO C C 2 178.185 178.185 175.274 2.911 19079 7453 1 11 . 1 1 2 2 PRO CA C 2 65.722 65.722 62.947 2.775 19079 7454 1 11 . 1 1 2 2 PRO CB C 2 33.078 33.078 31.415 1.663 19079 7455 1 11 . 1 1 3 3 SER N N 3 112.403 112.403 118.196 -5.793 19079 7456 1 11 . 1 1 3 3 SER HA H 3 3.136 3.136 3.655 -0.519 19079 7457 1 11 . 1 1 3 3 SER C C 3 172.101 172.101 172.382 -0.281 19079 7458 1 11 . 1 1 3 3 SER CA C 3 57.421 57.421 58.123 -0.702 19079 7459 1 11 . 1 1 3 3 SER CB C 3 62.812 62.812 65.409 -2.597 19079 7460 1 11 . 1 1 3 3 SER H H 3 8.494 8.494 7.826 0.668 19079 7461 1 11 . 1 1 4 4 ASP N N 4 119.024 119.024 124.719 -5.695 19079 7462 1 11 . 1 1 4 4 ASP HA H 4 4.438 4.438 4.688 -0.250 19079 7463 1 11 . 1 1 4 4 ASP C C 4 177.371 177.371 175.686 1.685 19079 7464 1 11 . 1 1 4 4 ASP CA C 4 54.800 54.800 54.025 0.775 19079 7465 1 11 . 1 1 4 4 ASP CB C 4 41.495 41.495 42.215 -0.720 19079 7466 1 11 . 1 1 4 4 ASP H H 4 6.841 6.841 8.162 -1.321 19079 7467 1 11 . 1 1 5 5 LEU N N 5 129.426 129.426 120.321 9.105 19079 7468 1 11 . 1 1 5 5 LEU HA H 5 4.526 4.526 4.260 0.266 19079 7469 1 11 . 1 1 5 5 LEU C C 5 176.246 176.246 176.307 -0.061 19079 7470 1 11 . 1 1 5 5 LEU CA C 5 54.010 54.010 55.028 -1.018 19079 7471 1 11 . 1 1 5 5 LEU CB C 5 40.690 40.690 42.667 -1.978 19079 7472 1 11 . 1 1 5 5 LEU H H 5 8.781 8.781 7.731 1.050 19079 7473 1 11 . 1 1 6 6 PHE HA H 6 4.842 4.842 4.504 0.338 19079 7474 1 11 . 1 1 6 6 PHE C C 6 174.584 174.584 175.914 -1.330 19079 7475 1 11 . 1 1 6 6 PHE CA C 6 56.782 56.782 56.835 -0.053 19079 7476 1 11 . 1 1 6 6 PHE CB C 6 39.576 39.576 39.086 0.490 19079 7477 1 11 . 1 1 7 7 VAL N N 7 118.923 118.923 121.629 -2.706 19079 7478 1 11 . 1 1 7 7 VAL HA H 7 4.528 4.528 4.238 0.290 19079 7479 1 11 . 1 1 7 7 VAL C C 7 173.989 173.989 174.218 -0.229 19079 7480 1 11 . 1 1 7 7 VAL CA C 7 61.571 61.571 61.299 0.272 19079 7481 1 11 . 1 1 7 7 VAL CB C 7 34.826 34.826 34.421 0.405 19079 7482 1 11 . 1 1 7 7 VAL H H 7 8.586 8.586 8.474 0.112 19079 7483 1 11 . 1 1 8 8 HIS N N 8 132.990 132.990 124.944 8.046 19079 7484 1 11 . 1 1 8 8 HIS HA H 8 5.997 5.997 4.995 1.002 19079 7485 1 11 . 1 1 8 8 HIS C C 8 174.184 174.184 175.138 -0.954 19079 7486 1 11 . 1 1 8 8 HIS CA C 8 53.113 53.113 54.035 -0.922 19079 7487 1 11 . 1 1 8 8 HIS CB C 8 33.889 33.889 30.761 3.128 19079 7488 1 11 . 1 1 8 8 HIS H H 8 10.809 10.809 8.632 2.177 19079 7489 1 11 . 1 1 9 9 THR N N 9 118.112 118.112 114.617 3.495 19079 7490 1 11 . 1 1 9 9 THR HA H 9 5.343 5.343 4.882 0.461 19079 7491 1 11 . 1 1 9 9 THR C C 9 175.788 175.788 176.977 -1.189 19079 7492 1 11 . 1 1 9 9 THR CA C 9 59.768 59.768 60.531 -0.763 19079 7493 1 11 . 1 1 9 9 THR CB C 9 70.673 70.673 70.730 -0.057 19079 7494 1 11 . 1 1 9 9 THR H H 9 9.512 9.512 8.719 0.793 19079 7495 1 11 . 1 1 10 10 GLU N N 10 117.927 117.927 119.813 -1.886 19079 7496 1 11 . 1 1 10 10 GLU HA H 10 4.096 4.096 4.059 0.037 19079 7497 1 11 . 1 1 10 10 GLU C C 10 176.321 176.321 177.158 -0.837 19079 7498 1 11 . 1 1 10 10 GLU CA C 10 59.900 59.900 59.511 0.389 19079 7499 1 11 . 1 1 10 10 GLU CB C 10 29.983 29.983 28.959 1.024 19079 7500 1 11 . 1 1 10 10 GLU H H 10 8.812 8.812 9.019 -0.207 19079 7501 1 11 . 1 1 11 11 GLN N N 11 110.877 110.877 118.953 -8.076 19079 7502 1 11 . 1 1 11 11 GLN HA H 11 4.621 4.621 4.560 0.061 19079 7503 1 11 . 1 1 11 11 GLN C C 11 175.391 175.391 173.825 1.566 19079 7504 1 11 . 1 1 11 11 GLN CA C 11 56.071 56.071 55.239 0.832 19079 7505 1 11 . 1 1 11 11 GLN CB C 11 31.963 31.963 30.052 1.911 19079 7506 1 11 . 1 1 11 11 GLN H H 11 7.797 7.797 7.696 0.101 19079 7507 1 11 . 1 1 12 12 ALA N N 12 122.143 122.143 121.785 0.358 19079 7508 1 11 . 1 1 12 12 ALA HA H 12 5.049 5.049 4.978 0.071 19079 7509 1 11 . 1 1 12 12 ALA C C 12 174.293 174.293 174.963 -0.670 19079 7510 1 11 . 1 1 12 12 ALA CA C 12 51.943 51.943 51.984 -0.041 19079 7511 1 11 . 1 1 12 12 ALA CB C 12 23.177 23.177 21.899 1.278 19079 7512 1 11 . 1 1 12 12 ALA H H 12 7.814 7.814 7.713 0.101 19079 7513 1 11 . 1 1 13 13 ILE N N 13 119.589 119.589 125.334 -5.745 19079 7514 1 11 . 1 1 13 13 ILE HA H 13 5.399 5.399 4.832 0.567 19079 7515 1 11 . 1 1 13 13 ILE C C 13 174.295 174.295 174.830 -0.535 19079 7516 1 11 . 1 1 13 13 ILE CA C 13 60.102 60.102 59.878 0.224 19079 7517 1 11 . 1 1 13 13 ILE CB C 13 41.080 41.080 39.237 1.843 19079 7518 1 11 . 1 1 13 13 ILE H H 13 9.206 9.206 8.468 0.738 19079 7519 1 11 . 1 1 14 14 TYR N N 14 127.337 127.337 128.316 -0.979 19079 7520 1 11 . 1 1 14 14 TYR HA H 14 4.853 4.853 5.099 -0.246 19079 7521 1 11 . 1 1 14 14 TYR C C 14 172.793 172.793 175.383 -2.590 19079 7522 1 11 . 1 1 14 14 TYR CA C 14 56.784 56.784 57.124 -0.340 19079 7523 1 11 . 1 1 14 14 TYR CB C 14 39.797 39.797 40.239 -0.442 19079 7524 1 11 . 1 1 14 14 TYR H H 14 9.794 9.794 8.965 0.829 19079 7525 1 11 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.821 -0.449 19079 7526 1 11 . 1 1 15 15 LYS CA C 15 55.924 55.924 55.321 0.603 19079 7527 1 11 . 1 1 15 15 LYS CB C 15 33.563 33.563 37.425 -3.862 19079 7528 1 11 . 1 1 15 15 LYS H H 15 7.550 7.550 8.087 -0.537 19079 7529 1 11 . 1 1 16 16 ASN N N 16 107.943 107.943 118.159 -10.216 19079 7530 1 11 . 1 1 16 16 ASN HA H 16 5.098 5.098 4.782 0.316 19079 7531 1 11 . 1 1 16 16 ASN C C 16 176.475 176.475 175.817 0.658 19079 7532 1 11 . 1 1 16 16 ASN CA C 16 54.072 54.072 53.409 0.663 19079 7533 1 11 . 1 1 16 16 ASN CB C 16 38.619 38.619 38.970 -0.351 19079 7534 1 11 . 1 1 16 16 ASN H H 16 8.156 8.156 8.666 -0.510 19079 7535 1 11 . 1 1 17 17 ALA N N 17 127.319 127.319 127.081 0.238 19079 7536 1 11 . 1 1 17 17 ALA HA H 17 3.608 3.608 4.153 -0.545 19079 7537 1 11 . 1 1 17 17 ALA C C 17 180.081 180.081 178.166 1.915 19079 7538 1 11 . 1 1 17 17 ALA CA C 17 54.282 54.282 54.460 -0.178 19079 7539 1 11 . 1 1 17 17 ALA CB C 17 17.646 17.646 19.229 -1.583 19079 7540 1 11 . 1 1 17 17 ALA H H 17 7.573 7.573 8.670 -1.097 19079 7541 1 11 . 1 1 18 18 HIS N N 18 108.625 108.625 114.940 -6.315 19079 7542 1 11 . 1 1 18 18 HIS HA H 18 4.504 4.504 4.418 0.086 19079 7543 1 11 . 1 1 18 18 HIS C C 18 174.182 174.182 175.823 -1.641 19079 7544 1 11 . 1 1 18 18 HIS CA C 18 57.782 57.782 58.188 -0.406 19079 7545 1 11 . 1 1 18 18 HIS CB C 18 26.798 26.798 29.499 -2.701 19079 7546 1 11 . 1 1 18 18 HIS H H 18 8.118 8.118 7.887 0.231 19079 7547 1 11 . 1 1 19 19 LEU N N 19 117.682 117.682 119.842 -2.160 19079 7548 1 11 . 1 1 19 19 LEU HA H 19 4.444 4.444 4.523 -0.079 19079 7549 1 11 . 1 1 19 19 LEU C C 19 175.795 175.795 176.853 -1.058 19079 7550 1 11 . 1 1 19 19 LEU CA C 19 53.309 53.309 55.088 -1.779 19079 7551 1 11 . 1 1 19 19 LEU CB C 19 42.366 42.366 43.209 -0.842 19079 7552 1 11 . 1 1 19 19 LEU H H 19 6.677 6.677 6.980 -0.303 19079 7553 1 11 . 1 1 20 20 THR N N 20 116.187 116.187 108.481 7.706 19079 7554 1 11 . 1 1 20 20 THR HA H 20 4.700 4.700 4.502 0.198 19079 7555 1 11 . 1 1 20 20 THR C C 20 171.105 171.105 175.501 -4.396 19079 7556 1 11 . 1 1 20 20 THR CA C 20 58.570 58.570 60.382 -1.812 19079 7557 1 11 . 1 1 20 20 THR CB C 20 69.724 69.724 68.171 1.552 19079 7558 1 11 . 1 1 20 20 THR H H 20 7.399 7.399 7.296 0.103 19079 7559 1 11 . 1 1 21 21 THR N N 21 114.194 114.194 115.453 -1.259 19079 7560 1 11 . 1 1 21 21 THR HA H 21 5.124 5.124 4.108 1.016 19079 7561 1 11 . 1 1 21 21 THR CA C 21 58.991 58.991 65.058 -6.067 19079 7562 1 11 . 1 1 21 21 THR CB C 21 71.564 71.564 68.540 3.024 19079 7563 1 11 . 1 1 21 21 THR H H 21 8.410 8.410 8.268 0.142 19079 7564 1 11 . 1 1 22 22 PRO HA H 22 4.432 4.432 4.396 0.036 19079 7565 1 11 . 1 1 22 22 PRO C C 22 175.895 175.895 175.806 0.089 19079 7566 1 11 . 1 1 22 22 PRO CA C 22 63.390 63.390 63.384 0.006 19079 7567 1 11 . 1 1 22 22 PRO CB C 22 32.203 32.203 31.357 0.846 19079 7568 1 11 . 1 1 23 23 ASN N N 23 119.233 119.233 120.878 -1.645 19079 7569 1 11 . 1 1 23 23 ASN HA H 23 5.032 5.032 4.687 0.345 19079 7570 1 11 . 1 1 23 23 ASN C C 23 175.963 175.963 174.916 1.047 19079 7571 1 11 . 1 1 23 23 ASN CA C 23 52.452 52.452 53.779 -1.327 19079 7572 1 11 . 1 1 23 23 ASN CB C 23 41.420 41.420 40.762 0.658 19079 7573 1 11 . 1 1 23 23 ASN H H 23 9.227 9.227 8.242 0.985 19079 7574 1 11 . 1 1 24 24 ASP N N 24 119.074 119.074 120.522 -1.448 19079 7575 1 11 . 1 1 24 24 ASP HA H 24 4.417 4.417 4.425 -0.008 19079 7576 1 11 . 1 1 24 24 ASP C C 24 176.983 176.983 177.003 -0.020 19079 7577 1 11 . 1 1 24 24 ASP CA C 24 56.942 56.942 56.145 0.797 19079 7578 1 11 . 1 1 24 24 ASP CB C 24 40.266 40.266 40.979 -0.713 19079 7579 1 11 . 1 1 24 24 ASP H H 24 8.649 8.649 8.716 -0.067 19079 7580 1 11 . 1 1 25 25 GLN N N 25 116.580 116.580 115.969 0.611 19079 7581 1 11 . 1 1 25 25 GLN HA H 25 4.425 4.425 4.268 0.157 19079 7582 1 11 . 1 1 25 25 GLN C C 25 177.373 177.373 176.907 0.466 19079 7583 1 11 . 1 1 25 25 GLN CA C 25 55.419 55.419 56.456 -1.037 19079 7584 1 11 . 1 1 25 25 GLN CB C 25 28.933 28.933 28.948 -0.015 19079 7585 1 11 . 1 1 25 25 GLN H H 25 9.028 9.028 8.337 0.691 19079 7586 1 11 . 1 1 26 26 THR N N 26 122.196 122.196 111.778 10.418 19079 7587 1 11 . 1 1 26 26 THR HA H 26 4.779 4.779 4.323 0.456 19079 7588 1 11 . 1 1 26 26 THR C C 26 174.583 174.583 174.379 0.204 19079 7589 1 11 . 1 1 26 26 THR CA C 26 65.218 65.218 63.544 1.674 19079 7590 1 11 . 1 1 26 26 THR CB C 26 68.963 68.963 69.998 -1.035 19079 7591 1 11 . 1 1 26 26 THR H H 26 7.692 7.692 7.536 0.156 19079 7592 1 11 . 1 1 27 27 ILE N N 27 129.367 129.367 119.374 9.993 19079 7593 1 11 . 1 1 27 27 ILE HA H 27 4.112 4.112 4.227 -0.115 19079 7594 1 11 . 1 1 27 27 ILE C C 27 175.734 175.734 175.406 0.328 19079 7595 1 11 . 1 1 27 27 ILE CA C 27 62.558 62.558 62.249 0.309 19079 7596 1 11 . 1 1 27 27 ILE CB C 27 40.357 40.357 39.409 0.948 19079 7597 1 11 . 1 1 27 27 ILE H H 27 9.785 9.785 8.632 1.153 19079 7598 1 11 . 1 1 28 28 LEU N N 28 120.773 120.773 122.661 -1.888 19079 7599 1 11 . 1 1 28 28 LEU HA H 28 4.506 4.506 4.751 -0.245 19079 7600 1 11 . 1 1 28 28 LEU C C 28 173.083 173.083 174.560 -1.477 19079 7601 1 11 . 1 1 28 28 LEU CA C 28 55.337 55.337 54.701 0.636 19079 7602 1 11 . 1 1 28 28 LEU CB C 28 45.942 45.942 44.283 1.659 19079 7603 1 11 . 1 1 28 28 LEU H H 28 7.814 7.814 7.678 0.136 19079 7604 1 11 . 1 1 29 29 LEU N N 29 128.285 128.285 124.268 4.017 19079 7605 1 11 . 1 1 29 29 LEU HA H 29 4.798 4.798 5.267 -0.469 19079 7606 1 11 . 1 1 29 29 LEU C C 29 174.589 174.589 175.634 -1.045 19079 7607 1 11 . 1 1 29 29 LEU CA C 29 54.133 54.133 54.102 0.031 19079 7608 1 11 . 1 1 29 29 LEU CB C 29 43.909 43.909 45.654 -1.745 19079 7609 1 11 . 1 1 29 29 LEU H H 29 8.653 8.653 8.051 0.602 19079 7610 1 11 . 1 1 30 30 ALA N N 30 132.532 132.532 126.452 6.080 19079 7611 1 11 . 1 1 30 30 ALA HA H 30 4.995 4.995 4.855 0.140 19079 7612 1 11 . 1 1 30 30 ALA C C 30 177.994 177.994 177.740 0.254 19079 7613 1 11 . 1 1 30 30 ALA CA C 30 49.621 49.621 50.713 -1.092 19079 7614 1 11 . 1 1 30 30 ALA CB C 30 18.022 18.022 20.057 -2.035 19079 7615 1 11 . 1 1 30 30 ALA H H 30 9.179 9.179 8.451 0.728 19079 7616 1 11 . 1 1 31 31 LEU N N 31 126.651 126.651 125.023 1.628 19079 7617 1 11 . 1 1 31 31 LEU HA H 31 4.619 4.619 4.133 0.486 19079 7618 1 11 . 1 1 31 31 LEU CA C 31 59.032 59.032 56.947 2.085 19079 7619 1 11 . 1 1 31 31 LEU CB C 31 41.356 41.356 40.923 0.433 19079 7620 1 11 . 1 1 31 31 LEU H H 31 8.828 8.828 9.105 -0.277 19079 7621 1 11 . 1 1 32 32 THR HA H 32 4.283 4.283 4.327 -0.044 19079 7622 1 11 . 1 1 32 32 THR C C 32 173.341 173.341 175.201 -1.860 19079 7623 1 11 . 1 1 32 32 THR CA C 32 63.443 63.443 64.029 -0.586 19079 7624 1 11 . 1 1 32 32 THR CB C 32 68.639 68.639 68.681 -0.042 19079 7625 1 11 . 1 1 32 32 THR H H 32 8.105 8.105 8.047 0.058 19079 7626 1 11 . 1 1 33 33 ALA N N 33 122.960 122.960 122.261 0.699 19079 7627 1 11 . 1 1 33 33 ALA HA H 33 5.301 5.301 4.478 0.823 19079 7628 1 11 . 1 1 33 33 ALA C C 33 175.467 175.467 176.686 -1.219 19079 7629 1 11 . 1 1 33 33 ALA CA C 33 50.782 50.782 51.446 -0.664 19079 7630 1 11 . 1 1 33 33 ALA CB C 33 20.256 20.256 20.774 -0.518 19079 7631 1 11 . 1 1 33 33 ALA H H 33 7.328 7.328 7.734 -0.406 19079 7632 1 11 . 1 1 34 34 ASP N N 34 115.713 115.713 116.516 -0.803 19079 7633 1 11 . 1 1 34 34 ASP HA H 34 4.194 4.194 4.445 -0.251 19079 7634 1 11 . 1 1 34 34 ASP C C 34 175.750 175.750 174.862 0.888 19079 7635 1 11 . 1 1 34 34 ASP CA C 34 55.269 55.269 55.758 -0.489 19079 7636 1 11 . 1 1 34 34 ASP CB C 34 40.525 40.525 39.796 0.729 19079 7637 1 11 . 1 1 34 34 ASP H H 34 7.927 7.927 8.147 -0.220 19079 7638 1 11 . 1 1 35 35 LEU N N 35 119.485 119.485 119.248 0.237 19079 7639 1 11 . 1 1 35 35 LEU HA H 35 5.102 5.102 4.889 0.213 19079 7640 1 11 . 1 1 35 35 LEU C C 35 173.060 173.060 174.405 -1.345 19079 7641 1 11 . 1 1 35 35 LEU CA C 35 54.268 54.268 53.326 0.942 19079 7642 1 11 . 1 1 35 35 LEU CB C 35 47.326 47.326 45.094 2.232 19079 7643 1 11 . 1 1 35 35 LEU H H 35 7.820 7.820 7.387 0.433 19079 7644 1 11 . 1 1 36 36 GLN N N 36 127.748 127.748 123.368 4.380 19079 7645 1 11 . 1 1 36 36 GLN HA H 36 4.790 4.790 4.766 0.024 19079 7646 1 11 . 1 1 36 36 GLN C C 36 173.161 173.161 173.777 -0.616 19079 7647 1 11 . 1 1 36 36 GLN CA C 36 55.286 55.286 53.714 1.572 19079 7648 1 11 . 1 1 36 36 GLN CB C 36 32.594 32.594 31.874 0.720 19079 7649 1 11 . 1 1 36 36 GLN H H 36 9.050 9.050 8.058 0.992 19079 7650 1 11 . 1 1 37 37 ILE N N 37 125.606 125.606 121.152 4.454 19079 7651 1 11 . 1 1 37 37 ILE HA H 37 4.807 4.807 4.951 -0.144 19079 7652 1 11 . 1 1 37 37 ILE C C 37 174.921 174.921 174.507 0.414 19079 7653 1 11 . 1 1 37 37 ILE CA C 37 59.869 59.869 59.568 0.301 19079 7654 1 11 . 1 1 37 37 ILE CB C 37 39.750 39.750 41.598 -1.848 19079 7655 1 11 . 1 1 37 37 ILE H H 37 8.828 8.828 7.911 0.917 19079 7656 1 11 . 1 1 38 38 ASP N N 38 128.163 128.163 123.649 4.514 19079 7657 1 11 . 1 1 38 38 ASP HA H 38 5.259 5.259 5.014 0.245 19079 7658 1 11 . 1 1 38 38 ASP C C 38 176.122 176.122 175.593 0.529 19079 7659 1 11 . 1 1 38 38 ASP CA C 38 52.316 52.316 51.937 0.379 19079 7660 1 11 . 1 1 38 38 ASP CB C 38 43.251 43.251 43.668 -0.417 19079 7661 1 11 . 1 1 38 38 ASP H H 38 9.226 9.226 8.533 0.693 19079 7662 1 11 . 1 1 39 39 GLY N N 39 107.273 107.273 105.678 1.595 19079 7663 1 11 . 1 1 39 39 GLY C C 39 171.808 171.808 173.007 -1.199 19079 7664 1 11 . 1 1 39 39 GLY CA C 39 45.108 45.108 43.870 1.238 19079 7665 1 11 . 1 1 39 39 GLY H H 39 8.682 8.682 8.528 0.154 19079 7666 1 11 . 1 1 40 40 CYS N N 40 114.602 114.602 118.560 -3.958 19079 7667 1 11 . 1 1 40 40 CYS HA H 40 4.832 4.832 4.686 0.146 19079 7668 1 11 . 1 1 40 40 CYS CA C 40 55.517 55.517 57.629 -2.112 19079 7669 1 11 . 1 1 40 40 CYS CB C 40 30.872 30.872 30.768 0.104 19079 7670 1 11 . 1 1 40 40 CYS H H 40 7.784 7.784 8.102 -0.318 19079 7671 1 11 . 1 1 41 41 ASP N N 41 121.388 121.388 123.516 -2.128 19079 7672 1 11 . 1 1 41 41 ASP HA H 41 4.618 4.618 4.602 0.016 19079 7673 1 11 . 1 1 41 41 ASP CA C 41 54.808 54.808 55.765 -0.957 19079 7674 1 11 . 1 1 41 41 ASP CB C 41 41.299 41.299 41.069 0.230 19079 7675 1 11 . 1 1 41 41 ASP H H 41 8.496 8.496 8.686 -0.190 19079 7676 1 11 . 1 1 42 42 GLN N N 42 118.506 118.506 119.851 -1.345 19079 7677 1 11 . 1 1 42 42 GLN HA H 42 4.900 4.900 4.786 0.114 19079 7678 1 11 . 1 1 42 42 GLN CA C 42 52.529 52.529 53.395 -0.866 19079 7679 1 11 . 1 1 42 42 GLN CB C 42 30.580 30.580 28.980 1.601 19079 7680 1 11 . 1 1 42 42 GLN H H 42 7.592 7.592 8.125 -0.533 19079 7681 1 11 . 1 1 43 43 PRO HA H 43 4.438 4.438 4.548 -0.110 19079 7682 1 11 . 1 1 43 43 PRO CA C 43 63.283 63.283 62.303 0.980 19079 7683 1 11 . 1 1 43 43 PRO CB C 43 32.178 32.178 32.509 -0.331 19079 7684 1 11 . 1 1 44 44 GLY N N 44 109.062 109.062 105.659 3.403 19079 7685 1 11 . 1 1 44 44 GLY CA C 44 45.265 45.265 44.050 1.215 19079 7686 1 11 . 1 1 44 44 GLY H H 44 8.249 8.249 8.378 -0.129 19079 7687 1 11 . 1 1 45 45 PRO HA H 45 4.535 4.535 4.494 0.041 19079 7688 1 11 . 1 1 45 45 PRO CA C 45 63.511 63.511 62.678 0.833 19079 7689 1 11 . 1 1 45 45 PRO CB C 45 33.193 33.193 32.541 0.652 19079 7690 1 11 . 1 1 46 46 ASP N N 46 121.254 121.254 116.453 4.801 19079 7691 1 11 . 1 1 46 46 ASP HA H 46 4.784 4.784 4.245 0.539 19079 7692 1 11 . 1 1 46 46 ASP C C 46 174.555 174.555 174.679 -0.124 19079 7693 1 11 . 1 1 46 46 ASP CA C 46 55.268 55.268 54.980 0.288 19079 7694 1 11 . 1 1 46 46 ASP CB C 46 43.360 43.360 41.262 2.098 19079 7695 1 11 . 1 1 46 46 ASP H H 46 8.533 8.533 8.490 0.043 19079 7696 1 11 . 1 1 47 47 ASN N N 47 118.452 118.452 121.414 -2.962 19079 7697 1 11 . 1 1 47 47 ASN HA H 47 4.912 4.912 4.946 -0.034 19079 7698 1 11 . 1 1 47 47 ASN C C 47 172.394 172.394 174.801 -2.407 19079 7699 1 11 . 1 1 47 47 ASN CA C 47 52.877 52.877 51.614 1.263 19079 7700 1 11 . 1 1 47 47 ASN CB C 47 42.185 42.185 39.350 2.835 19079 7701 1 11 . 1 1 47 47 ASN H H 47 8.668 8.668 8.408 0.260 19079 7702 1 11 . 1 1 48 48 ILE N N 48 126.910 126.910 125.840 1.070 19079 7703 1 11 . 1 1 48 48 ILE HA H 48 5.269 5.269 3.966 1.303 19079 7704 1 11 . 1 1 48 48 ILE CA C 48 57.457 57.457 61.105 -3.648 19079 7705 1 11 . 1 1 48 48 ILE CB C 48 39.411 39.411 37.250 2.161 19079 7706 1 11 . 1 1 48 48 ILE H H 48 8.377 8.377 8.316 0.061 19079 7707 1 11 . 1 1 49 49 PRO HA H 49 4.571 4.571 4.462 0.109 19079 7708 1 11 . 1 1 49 49 PRO CA C 49 62.019 62.019 62.349 -0.330 19079 7709 1 11 . 1 1 49 49 PRO CB C 49 34.068 34.068 32.663 1.405 19079 7710 1 11 . 1 1 50 50 ASP N N 50 117.512 117.512 118.522 -1.010 19079 7711 1 11 . 1 1 50 50 ASP HA H 50 4.847 4.847 4.746 0.101 19079 7712 1 11 . 1 1 50 50 ASP C C 50 175.105 175.105 174.899 0.206 19079 7713 1 11 . 1 1 50 50 ASP CA C 50 52.186 52.186 53.377 -1.191 19079 7714 1 11 . 1 1 50 50 ASP CB C 50 40.206 40.206 40.666 -0.460 19079 7715 1 11 . 1 1 50 50 ASP H H 50 7.928 7.928 8.556 -0.628 19079 7716 1 11 . 1 1 51 51 CYS N N 51 117.841 117.841 118.120 -0.279 19079 7717 1 11 . 1 1 51 51 CYS HA H 51 4.645 4.645 4.792 -0.147 19079 7718 1 11 . 1 1 51 51 CYS C C 51 173.952 173.952 173.376 0.576 19079 7719 1 11 . 1 1 51 51 CYS CA C 51 57.079 57.079 57.380 -0.301 19079 7720 1 11 . 1 1 51 51 CYS CB C 51 31.834 31.834 30.002 1.832 19079 7721 1 11 . 1 1 51 51 CYS H H 51 6.998 6.998 7.736 -0.738 19079 7722 1 11 . 1 1 52 52 ASP N N 52 113.831 113.831 124.009 -10.178 19079 7723 1 11 . 1 1 52 52 ASP HA H 52 4.790 4.790 4.708 0.082 19079 7724 1 11 . 1 1 52 52 ASP C C 52 177.522 177.522 175.311 2.211 19079 7725 1 11 . 1 1 52 52 ASP CA C 52 52.266 52.266 52.833 -0.567 19079 7726 1 11 . 1 1 52 52 ASP CB C 52 41.108 41.108 39.553 1.555 19079 7727 1 11 . 1 1 52 52 ASP H H 52 7.839 7.839 8.456 -0.617 19079 7728 1 11 . 1 1 53 53 CYS N N 53 120.924 120.924 120.675 0.249 19079 7729 1 11 . 1 1 53 53 CYS HA H 53 4.176 4.176 4.269 -0.093 19079 7730 1 11 . 1 1 53 53 CYS C C 53 177.320 177.320 176.152 1.168 19079 7731 1 11 . 1 1 53 53 CYS CA C 53 62.456 62.456 59.306 3.150 19079 7732 1 11 . 1 1 53 53 CYS CB C 53 31.077 31.077 27.525 3.552 19079 7733 1 11 . 1 1 53 53 CYS H H 53 8.180 8.180 8.431 -0.251 19079 7734 1 11 . 1 1 54 54 THR N N 54 108.381 108.381 112.682 -4.301 19079 7735 1 11 . 1 1 54 54 THR HA H 54 4.168 4.168 4.349 -0.181 19079 7736 1 11 . 1 1 54 54 THR C C 54 172.044 172.044 174.416 -2.372 19079 7737 1 11 . 1 1 54 54 THR CA C 54 60.645 60.645 63.840 -3.195 19079 7738 1 11 . 1 1 54 54 THR CB C 54 69.425 69.425 69.706 -0.280 19079 7739 1 11 . 1 1 54 54 THR H H 54 8.728 8.728 8.242 0.486 19079 7740 1 11 . 1 1 55 55 SER N N 55 114.465 114.465 119.497 -5.032 19079 7741 1 11 . 1 1 55 55 SER HA H 55 4.906 4.906 4.946 -0.040 19079 7742 1 11 . 1 1 55 55 SER C C 55 172.897 172.897 174.514 -1.617 19079 7743 1 11 . 1 1 55 55 SER CA C 55 56.279 56.279 57.544 -1.265 19079 7744 1 11 . 1 1 55 55 SER CB C 55 66.156 66.156 63.196 2.960 19079 7745 1 11 . 1 1 55 55 SER H H 55 7.433 7.433 7.854 -0.421 19079 7746 1 11 . 1 1 56 56 GLY N N 56 106.492 106.492 111.046 -4.554 19079 7747 1 11 . 1 1 56 56 GLY C C 56 172.400 172.400 172.466 -0.066 19079 7748 1 11 . 1 1 56 56 GLY CA C 56 46.778 46.778 44.014 2.764 19079 7749 1 11 . 1 1 56 56 GLY H H 56 8.431 8.431 8.514 -0.083 19079 7750 1 11 . 1 1 57 57 CYS N N 57 123.907 123.907 117.264 6.643 19079 7751 1 11 . 1 1 57 57 CYS HA H 57 5.755 5.755 5.717 0.038 19079 7752 1 11 . 1 1 57 57 CYS C C 57 171.012 171.012 173.129 -2.117 19079 7753 1 11 . 1 1 57 57 CYS CA C 57 54.317 54.317 56.803 -2.486 19079 7754 1 11 . 1 1 57 57 CYS CB C 57 32.040 32.040 30.656 1.384 19079 7755 1 11 . 1 1 57 57 CYS H H 57 9.782 9.782 8.732 1.050 19079 7756 1 11 . 1 1 58 58 TYR N N 58 121.251 121.251 122.183 -0.932 19079 7757 1 11 . 1 1 58 58 TYR HA H 58 6.413 6.413 5.810 0.603 19079 7758 1 11 . 1 1 58 58 TYR C C 58 172.177 172.177 173.618 -1.441 19079 7759 1 11 . 1 1 58 58 TYR CA C 58 54.179 54.179 54.355 -0.176 19079 7760 1 11 . 1 1 58 58 TYR CB C 58 44.751 44.751 41.999 2.752 19079 7761 1 11 . 1 1 58 58 TYR H H 58 9.324 9.324 9.050 0.274 19079 7762 1 11 . 1 1 59 59 TYR N N 59 119.921 119.921 125.664 -5.743 19079 7763 1 11 . 1 1 59 59 TYR HA H 59 3.155 3.155 3.599 -0.444 19079 7764 1 11 . 1 1 59 59 TYR C C 59 173.490 173.490 174.039 -0.549 19079 7765 1 11 . 1 1 59 59 TYR CA C 59 56.439 56.439 56.192 0.247 19079 7766 1 11 . 1 1 59 59 TYR CB C 59 38.280 38.280 37.152 1.128 19079 7767 1 11 . 1 1 59 59 TYR H H 59 7.851 7.851 7.659 0.192 19079 7768 1 11 . 1 1 60 60 SER N N 60 122.333 122.333 123.054 -0.721 19079 7769 1 11 . 1 1 60 60 SER HA H 60 4.286 4.286 4.113 0.173 19079 7770 1 11 . 1 1 60 60 SER C C 60 174.282 174.282 175.027 -0.745 19079 7771 1 11 . 1 1 60 60 SER CA C 60 54.201 54.201 56.799 -2.598 19079 7772 1 11 . 1 1 60 60 SER CB C 60 63.429 63.429 63.751 -0.321 19079 7773 1 11 . 1 1 60 60 SER H H 60 7.184 7.184 8.082 -0.898 19079 7774 1 11 . 1 1 61 61 ARG N N 61 131.876 131.876 127.937 3.939 19079 7775 1 11 . 1 1 61 61 ARG HA H 61 3.755 3.755 3.813 -0.058 19079 7776 1 11 . 1 1 61 61 ARG C C 61 179.454 179.454 177.433 2.021 19079 7777 1 11 . 1 1 61 61 ARG CA C 61 58.733 58.733 57.756 0.977 19079 7778 1 11 . 1 1 61 61 ARG CB C 61 29.216 29.216 29.704 -0.488 19079 7779 1 11 . 1 1 61 61 ARG H H 61 9.058 9.058 8.183 0.875 19079 7780 1 11 . 1 1 62 62 SER N N 62 115.806 115.806 113.747 2.059 19079 7781 1 11 . 1 1 62 62 SER HA H 62 4.021 4.021 4.263 -0.242 19079 7782 1 11 . 1 1 62 62 SER C C 62 177.405 177.405 174.811 2.594 19079 7783 1 11 . 1 1 62 62 SER CA C 62 60.787 60.787 60.909 -0.122 19079 7784 1 11 . 1 1 62 62 SER CB C 62 60.994 60.994 63.243 -2.249 19079 7785 1 11 . 1 1 62 62 SER H H 62 8.933 8.933 8.295 0.638 19079 7786 1 11 . 1 1 63 63 LEU N N 63 120.142 120.142 118.752 1.390 19079 7787 1 11 . 1 1 63 63 LEU HA H 63 4.315 4.315 4.600 -0.285 19079 7788 1 11 . 1 1 63 63 LEU C C 63 175.462 175.462 176.358 -0.896 19079 7789 1 11 . 1 1 63 63 LEU CA C 63 54.589 54.589 53.558 1.031 19079 7790 1 11 . 1 1 63 63 LEU CB C 63 41.583 41.583 42.654 -1.071 19079 7791 1 11 . 1 1 63 63 LEU H H 63 7.372 7.372 7.069 0.303 19079 7792 1 11 . 1 1 64 64 ASP N N 64 124.723 124.723 119.450 5.273 19079 7793 1 11 . 1 1 64 64 ASP HA H 64 4.308 4.308 4.212 0.096 19079 7794 1 11 . 1 1 64 64 ASP C C 64 174.405 174.405 174.416 -0.011 19079 7795 1 11 . 1 1 64 64 ASP CA C 64 54.269 54.269 55.417 -1.148 19079 7796 1 11 . 1 1 64 64 ASP CB C 64 39.892 39.892 39.663 0.230 19079 7797 1 11 . 1 1 64 64 ASP H H 64 8.122 8.122 7.921 0.201 19079 7798 1 11 . 1 1 65 65 ARG N N 65 111.932 111.932 112.595 -0.663 19079 7799 1 11 . 1 1 65 65 ARG HA H 65 4.648 4.648 4.678 -0.030 19079 7800 1 11 . 1 1 65 65 ARG C C 65 172.842 172.842 173.938 -1.096 19079 7801 1 11 . 1 1 65 65 ARG CA C 65 54.327 54.327 54.847 -0.520 19079 7802 1 11 . 1 1 65 65 ARG CB C 65 33.013 33.013 31.316 1.697 19079 7803 1 11 . 1 1 65 65 ARG H H 65 7.434 7.434 7.804 -0.370 19079 7804 1 11 . 1 1 66 66 TYR N N 66 121.286 121.286 122.230 -0.944 19079 7805 1 11 . 1 1 66 66 TYR HA H 66 4.821 4.821 4.846 -0.025 19079 7806 1 11 . 1 1 66 66 TYR C C 66 176.123 176.123 176.466 -0.343 19079 7807 1 11 . 1 1 66 66 TYR CA C 66 56.752 56.752 59.469 -2.717 19079 7808 1 11 . 1 1 66 66 TYR CB C 66 41.877 41.877 39.151 2.726 19079 7809 1 11 . 1 1 66 66 TYR H H 66 8.068 8.068 8.679 -0.611 19079 7810 1 11 . 1 1 67 67 ILE N N 67 119.080 119.080 119.818 -0.738 19079 7811 1 11 . 1 1 67 67 ILE HA H 67 4.620 4.620 4.850 -0.230 19079 7812 1 11 . 1 1 67 67 ILE CA C 67 57.840 57.840 57.226 0.614 19079 7813 1 11 . 1 1 67 67 ILE CB C 67 41.191 41.191 41.491 -0.300 19079 7814 1 11 . 1 1 67 67 ILE H H 67 8.640 8.640 8.725 -0.085 19079 7815 1 11 . 1 1 68 68 PRO HA H 68 4.772 4.772 5.015 -0.243 19079 7816 1 11 . 1 1 68 68 PRO CA C 68 62.709 62.709 62.679 0.030 19079 7817 1 11 . 1 1 68 68 PRO CB C 68 32.923 32.923 31.216 1.707 19079 7818 1 11 . 1 1 69 69 VAL N N 69 120.668 120.668 117.333 3.335 19079 7819 1 11 . 1 1 69 69 VAL HA H 69 4.764 4.764 4.579 0.185 19079 7820 1 11 . 1 1 69 69 VAL C C 69 171.299 171.299 173.682 -2.383 19079 7821 1 11 . 1 1 69 69 VAL CA C 69 60.758 60.758 58.842 1.916 19079 7822 1 11 . 1 1 69 69 VAL CB C 69 36.158 36.158 35.626 0.532 19079 7823 1 11 . 1 1 69 69 VAL H H 69 8.866 8.866 8.735 0.131 19079 7824 1 11 . 1 1 70 70 GLU N N 70 127.352 127.352 120.934 6.418 19079 7825 1 11 . 1 1 70 70 GLU HA H 70 4.694 4.694 4.866 -0.172 19079 7826 1 11 . 1 1 70 70 GLU C C 70 176.084 176.084 175.023 1.061 19079 7827 1 11 . 1 1 70 70 GLU CA C 70 55.438 55.438 55.327 0.111 19079 7828 1 11 . 1 1 70 70 GLU CB C 70 31.941 31.941 31.476 0.466 19079 7829 1 11 . 1 1 70 70 GLU H H 70 8.303 8.303 8.541 -0.238 19079 7830 1 11 . 1 1 71 71 CYS N N 71 118.985 118.985 124.004 -5.019 19079 7831 1 11 . 1 1 71 71 CYS HA H 71 5.283 5.283 4.943 0.340 19079 7832 1 11 . 1 1 71 71 CYS C C 71 173.987 173.987 173.351 0.636 19079 7833 1 11 . 1 1 71 71 CYS CA C 71 56.927 56.927 57.094 -0.167 19079 7834 1 11 . 1 1 71 71 CYS CB C 71 32.056 32.056 31.819 0.237 19079 7835 1 11 . 1 1 71 71 CYS H H 71 8.044 8.044 8.629 -0.585 19079 7836 1 11 . 1 1 72 72 GLU N N 72 119.188 119.188 120.329 -1.141 19079 7837 1 11 . 1 1 72 72 GLU HA H 72 4.550 4.550 4.483 0.067 19079 7838 1 11 . 1 1 72 72 GLU C C 72 175.540 175.540 175.211 0.329 19079 7839 1 11 . 1 1 72 72 GLU CA C 72 54.422 54.422 54.105 0.317 19079 7840 1 11 . 1 1 72 72 GLU CB C 72 32.723 32.723 30.549 2.174 19079 7841 1 11 . 1 1 72 72 GLU H H 72 8.651 8.651 8.818 -0.167 19079 7842 1 11 . 1 1 73 73 ALA N N 73 128.127 128.127 127.924 0.203 19079 7843 1 11 . 1 1 73 73 ALA HA H 73 4.894 4.894 4.072 0.822 19079 7844 1 11 . 1 1 73 73 ALA C C 73 177.065 177.065 176.507 0.558 19079 7845 1 11 . 1 1 73 73 ALA CA C 73 51.934 51.934 52.245 -0.312 19079 7846 1 11 . 1 1 73 73 ALA CB C 73 19.744 19.744 19.155 0.589 19079 7847 1 11 . 1 1 73 73 ALA H H 73 8.825 8.825 8.478 0.347 19079 7848 1 11 . 1 1 74 74 HIS N N 74 120.049 120.049 124.417 -4.368 19079 7849 1 11 . 1 1 74 74 HIS HA H 74 4.730 4.730 4.686 0.044 19079 7850 1 11 . 1 1 74 74 HIS C C 74 173.973 173.973 175.067 -1.094 19079 7851 1 11 . 1 1 74 74 HIS CA C 74 54.940 54.940 55.090 -0.150 19079 7852 1 11 . 1 1 74 74 HIS CB C 74 32.641 32.641 32.074 0.567 19079 7853 1 11 . 1 1 74 74 HIS H H 74 8.813 8.813 8.364 0.449 19079 7854 1 11 . 1 1 75 75 ASP N N 75 125.469 125.469 125.400 0.069 19079 7855 1 11 . 1 1 75 75 ASP HA H 75 4.619 4.619 4.529 0.090 19079 7856 1 11 . 1 1 75 75 ASP CA C 75 57.576 57.576 57.387 0.189 19079 7857 1 11 . 1 1 75 75 ASP CB C 75 42.215 42.215 41.558 0.657 19079 7858 1 11 . 1 1 75 75 ASP H H 75 8.951 8.951 8.991 -0.040 19079 7859 1 11 . 1 1 76 76 TRP N N 76 113.768 113.768 115.347 -1.579 19079 7860 1 11 . 1 1 76 76 TRP HA H 76 5.455 5.455 5.447 0.008 19079 7861 1 11 . 1 1 76 76 TRP CA C 76 54.833 54.833 56.320 -1.487 19079 7862 1 11 . 1 1 76 76 TRP CB C 76 31.701 31.701 30.909 0.792 19079 7863 1 11 . 1 1 76 76 TRP H H 76 7.574 7.574 7.388 0.186 19079 7864 1 11 . 1 1 77 77 TYR N N 77 122.650 122.650 121.894 0.756 19079 7865 1 11 . 1 1 77 77 TYR CA C 77 57.248 57.248 56.323 0.925 19079 7866 1 11 . 1 1 77 77 TYR CB C 77 33.700 33.700 42.068 -8.368 19079 7867 1 11 . 1 1 77 77 TYR H H 77 8.981 8.981 8.301 0.680 19079 7868 1 11 . 1 1 78 78 PRO HA H 78 4.493 4.493 4.798 -0.305 19079 7869 1 11 . 1 1 78 78 PRO CA C 78 62.242 62.242 62.741 -0.499 19079 7870 1 11 . 1 1 78 78 PRO CB C 78 31.237 31.237 32.669 -1.432 19079 7871 1 11 . 1 1 79 79 VAL N N 79 123.871 123.871 121.250 2.621 19079 7872 1 11 . 1 1 79 79 VAL HA H 79 3.953 3.953 4.534 -0.581 19079 7873 1 11 . 1 1 79 79 VAL C C 79 174.991 174.991 174.189 0.802 19079 7874 1 11 . 1 1 79 79 VAL CA C 79 61.545 61.545 59.517 2.028 19079 7875 1 11 . 1 1 79 79 VAL CB C 79 33.090 33.090 35.870 -2.780 19079 7876 1 11 . 1 1 79 79 VAL H H 79 8.512 8.512 8.918 -0.406 19079 7877 1 11 . 1 1 80 80 GLU N N 80 124.050 124.050 127.859 -3.809 19079 7878 1 11 . 1 1 80 80 GLU HA H 80 4.072 4.072 4.351 -0.279 19079 7879 1 11 . 1 1 80 80 GLU C C 80 175.607 175.607 175.540 0.067 19079 7880 1 11 . 1 1 80 80 GLU CA C 80 56.291 56.291 55.869 0.422 19079 7881 1 11 . 1 1 80 80 GLU CB C 80 30.272 30.272 29.934 0.338 19079 7882 1 11 . 1 1 80 80 GLU H H 80 8.068 8.068 8.479 -0.411 19079 7883 1 11 . 1 1 81 81 GLU N N 81 120.701 120.701 122.037 -1.336 19079 7884 1 11 . 1 1 81 81 GLU HA H 81 4.194 4.194 4.387 -0.193 19079 7885 1 11 . 1 1 81 81 GLU C C 81 175.817 175.817 176.826 -1.009 19079 7886 1 11 . 1 1 81 81 GLU CA C 81 57.390 57.390 57.407 -0.017 19079 7887 1 11 . 1 1 81 81 GLU CB C 81 30.713 30.713 29.867 0.845 19079 7888 1 11 . 1 1 81 81 GLU H H 81 8.751 8.751 8.501 0.250 19079 7889 1 11 . 1 1 82 82 THR N N 82 115.162 115.162 120.110 -4.948 19079 7890 1 11 . 1 1 82 82 THR HA H 82 4.688 4.688 4.450 0.238 19079 7891 1 11 . 1 1 82 82 THR CA C 82 60.041 60.041 61.868 -1.827 19079 7892 1 11 . 1 1 82 82 THR CB C 82 73.866 73.866 69.116 4.750 19079 7893 1 11 . 1 1 82 82 THR H H 82 8.631 8.631 8.714 -0.083 19079 7894 1 11 . 1 1 83 83 GLN N N 83 116.650 116.650 119.525 -2.875 19079 7895 1 11 . 1 1 83 83 GLN HA H 83 4.629 4.629 3.646 0.983 19079 7896 1 11 . 1 1 83 83 GLN CA C 83 57.643 57.643 58.925 -1.282 19079 7897 1 11 . 1 1 83 83 GLN CB C 83 30.537 30.537 26.992 3.545 19079 7898 1 11 . 1 1 83 83 GLN H H 83 8.714 8.714 8.538 0.176 19079 7899 1 11 . 1 1 86 86 PRO HA H 86 4.779 4.779 4.408 0.371 19079 7900 1 11 . 1 1 86 86 PRO CA C 86 62.018 62.018 62.477 -0.459 19079 7901 1 11 . 1 1 86 86 PRO CB C 86 32.818 32.818 32.676 0.142 19079 7902 1 11 . 1 1 87 87 LYS N N 87 123.136 123.136 121.107 2.029 19079 7903 1 11 . 1 1 87 87 LYS HA H 87 4.545 4.545 4.573 -0.028 19079 7904 1 11 . 1 1 87 87 LYS C C 87 176.411 176.411 176.170 0.241 19079 7905 1 11 . 1 1 87 87 LYS CA C 87 57.800 57.800 56.473 1.327 19079 7906 1 11 . 1 1 87 87 LYS CB C 87 32.322 32.322 32.941 -0.619 19079 7907 1 11 . 1 1 87 87 LYS H H 87 8.936 8.936 8.389 0.547 19079 7908 1 11 . 1 1 88 88 HIS N N 88 119.788 119.788 123.042 -3.254 19079 7909 1 11 . 1 1 88 88 HIS HA H 88 4.973 4.973 4.600 0.373 19079 7910 1 11 . 1 1 88 88 HIS C C 88 171.431 171.431 172.911 -1.480 19079 7911 1 11 . 1 1 88 88 HIS CA C 88 55.171 55.171 55.539 -0.368 19079 7912 1 11 . 1 1 88 88 HIS CB C 88 29.695 29.695 33.523 -3.828 19079 7913 1 11 . 1 1 88 88 HIS H H 88 8.490 8.490 8.993 -0.503 19079 7914 1 11 . 1 1 89 89 ILE N N 89 120.371 120.371 121.581 -1.210 19079 7915 1 11 . 1 1 89 89 ILE HA H 89 4.453 4.453 4.550 -0.097 19079 7916 1 11 . 1 1 89 89 ILE C C 89 176.167 176.167 175.688 0.479 19079 7917 1 11 . 1 1 89 89 ILE CA C 89 60.066 60.066 59.724 0.342 19079 7918 1 11 . 1 1 89 89 ILE CB C 89 38.855 38.855 37.538 1.317 19079 7919 1 11 . 1 1 89 89 ILE H H 89 8.417 8.417 8.581 -0.164 19079 7920 1 11 . 1 1 90 90 GLN N N 90 122.913 122.913 125.190 -2.277 19079 7921 1 11 . 1 1 90 90 GLN HA H 90 5.313 5.313 4.152 1.161 19079 7922 1 11 . 1 1 90 90 GLN CA C 90 54.194 54.194 53.635 0.560 19079 7923 1 11 . 1 1 90 90 GLN CB C 90 32.780 32.780 31.307 1.473 19079 7924 1 11 . 1 1 90 90 GLN H H 90 8.286 8.286 8.561 -0.275 19079 7925 1 11 . 1 1 91 91 TYR N N 91 117.779 117.779 116.419 1.360 19079 7926 1 11 . 1 1 91 91 TYR HA H 91 5.394 5.394 5.114 0.280 19079 7927 1 11 . 1 1 91 91 TYR C C 91 175.762 175.762 175.616 0.146 19079 7928 1 11 . 1 1 91 91 TYR CA C 91 56.672 56.672 55.882 0.790 19079 7929 1 11 . 1 1 91 91 TYR CB C 91 41.701 41.701 41.961 -0.259 19079 7930 1 11 . 1 1 91 91 TYR H H 91 8.086 8.086 8.203 -0.117 19079 7931 1 11 . 1 1 92 92 ASN N N 92 113.182 113.182 115.352 -2.170 19079 7932 1 11 . 1 1 92 92 ASN HA H 92 4.558 4.558 4.445 0.113 19079 7933 1 11 . 1 1 92 92 ASN C C 92 172.369 172.369 173.765 -1.396 19079 7934 1 11 . 1 1 92 92 ASN CA C 92 55.522 55.522 54.143 1.379 19079 7935 1 11 . 1 1 92 92 ASN CB C 92 37.732 37.732 37.039 0.693 19079 7936 1 11 . 1 1 92 92 ASN H H 92 8.529 8.529 8.857 -0.328 19079 7937 1 11 . 1 1 93 93 LEU N N 93 117.359 117.359 119.597 -2.238 19079 7938 1 11 . 1 1 93 93 LEU HA H 93 5.455 5.455 4.857 0.598 19079 7939 1 11 . 1 1 93 93 LEU C C 93 177.709 177.709 175.987 1.722 19079 7940 1 11 . 1 1 93 93 LEU CA C 93 54.341 54.341 54.296 0.045 19079 7941 1 11 . 1 1 93 93 LEU CB C 93 47.006 47.006 42.746 4.260 19079 7942 1 11 . 1 1 93 93 LEU H H 93 7.846 7.846 8.053 -0.207 19079 7943 1 11 . 1 1 94 94 LEU N N 94 123.298 123.298 127.060 -3.762 19079 7944 1 11 . 1 1 94 94 LEU HA H 94 5.014 5.014 4.816 0.198 19079 7945 1 11 . 1 1 94 94 LEU C C 94 175.771 175.771 176.392 -0.621 19079 7946 1 11 . 1 1 94 94 LEU CA C 94 53.889 53.889 54.181 -0.292 19079 7947 1 11 . 1 1 94 94 LEU CB C 94 44.784 44.784 42.947 1.837 19079 7948 1 11 . 1 1 94 94 LEU H H 94 9.155 9.155 9.071 0.084 19079 7949 1 11 . 1 1 95 95 ILE N N 95 121.585 121.585 125.475 -3.890 19079 7950 1 11 . 1 1 95 95 ILE HA H 95 5.166 5.166 4.706 0.460 19079 7951 1 11 . 1 1 95 95 ILE C C 95 175.885 175.885 175.610 0.275 19079 7952 1 11 . 1 1 95 95 ILE CA C 95 59.795 59.795 59.262 0.533 19079 7953 1 11 . 1 1 95 95 ILE CB C 95 39.820 39.820 38.382 1.438 19079 7954 1 11 . 1 1 95 95 ILE H H 95 8.920 8.920 7.908 1.012 19079 7955 1 11 . 1 1 96 96 GLY N N 96 115.891 115.891 114.976 0.915 19079 7956 1 11 . 1 1 96 96 GLY C C 96 171.937 171.937 172.611 -0.674 19079 7957 1 11 . 1 1 96 96 GLY CA C 96 44.865 44.865 44.492 0.373 19079 7958 1 11 . 1 1 96 96 GLY H H 96 9.223 9.223 9.026 0.197 19079 7959 1 11 . 1 1 97 97 GLU N N 97 119.340 119.340 125.474 -6.134 19079 7960 1 11 . 1 1 97 97 GLU HA H 97 4.831 4.831 4.058 0.773 19079 7961 1 11 . 1 1 97 97 GLU C C 97 175.567 175.567 176.053 -0.486 19079 7962 1 11 . 1 1 97 97 GLU CA C 97 55.736 55.736 56.652 -0.916 19079 7963 1 11 . 1 1 97 97 GLU CB C 97 31.009 31.009 29.862 1.147 19079 7964 1 11 . 1 1 97 97 GLU H H 97 8.197 8.197 8.590 -0.393 19079 7965 1 11 . 1 1 98 98 GLY N N 98 113.912 113.912 113.379 0.533 19079 7966 1 11 . 1 1 98 98 GLY CA C 98 45.089 45.089 43.816 1.273 19079 7967 1 11 . 1 1 98 98 GLY H H 98 7.767 7.767 7.503 0.264 19079 7968 1 11 . 1 1 99 99 PRO HA H 99 4.347 4.347 4.530 -0.183 19079 7969 1 11 . 1 1 99 99 PRO CA C 99 62.396 62.396 62.551 -0.155 19079 7970 1 11 . 1 1 99 99 PRO CB C 99 32.558 32.558 32.890 -0.332 19079 7971 1 11 . 1 1 100 100 CYS N N 100 122.972 122.972 121.494 1.478 19079 7972 1 11 . 1 1 100 100 CYS HA H 100 4.567 4.567 4.759 -0.192 19079 7973 1 11 . 1 1 100 100 CYS C C 100 172.077 172.077 172.992 -0.915 19079 7974 1 11 . 1 1 100 100 CYS CA C 100 60.097 60.097 58.379 1.718 19079 7975 1 11 . 1 1 100 100 CYS CB C 100 28.063 28.063 28.726 -0.663 19079 7976 1 11 . 1 1 100 100 CYS H H 100 8.219 8.219 8.374 -0.155 19079 7977 1 11 . 1 1 101 101 VAL N N 101 123.973 123.973 123.711 0.262 19079 7978 1 11 . 1 1 101 101 VAL HA H 101 4.888 4.888 4.517 0.371 19079 7979 1 11 . 1 1 101 101 VAL CA C 101 58.947 58.947 58.823 0.124 19079 7980 1 11 . 1 1 101 101 VAL CB C 101 32.322 32.322 33.684 -1.362 19079 7981 1 11 . 1 1 101 101 VAL H H 101 8.662 8.662 8.013 0.649 19079 7982 1 11 . 1 1 103 103 GLY C C 103 175.333 175.333 174.632 0.701 19079 7983 1 11 . 1 1 103 103 GLY CA C 103 45.683 45.683 45.634 0.049 19079 7984 1 11 . 1 1 104 104 ASP N N 104 121.740 121.740 123.081 -1.341 19079 7985 1 11 . 1 1 104 104 ASP HA H 104 4.836 4.836 4.375 0.461 19079 7986 1 11 . 1 1 104 104 ASP C C 104 176.601 176.601 175.955 0.646 19079 7987 1 11 . 1 1 104 104 ASP CA C 104 54.700 54.700 55.739 -1.040 19079 7988 1 11 . 1 1 104 104 ASP CB C 104 41.322 41.322 41.034 0.288 19079 7989 1 11 . 1 1 104 104 ASP H H 104 8.217 8.217 7.897 0.320 19079 7990 1 11 . 1 1 105 105 ALA N N 105 121.750 121.750 119.889 1.861 19079 7991 1 11 . 1 1 105 105 ALA HA H 105 3.707 3.707 3.847 -0.140 19079 7992 1 11 . 1 1 105 105 ALA C C 105 175.218 175.218 177.583 -2.365 19079 7993 1 11 . 1 1 105 105 ALA CA C 105 54.002 54.002 53.333 0.669 19079 7994 1 11 . 1 1 105 105 ALA CB C 105 18.021 18.021 18.188 -0.167 19079 7995 1 11 . 1 1 105 105 ALA H H 105 7.672 7.672 8.000 -0.328 19079 7996 1 11 . 1 1 106 106 GLY N N 106 110.675 110.675 111.476 -0.801 19079 7997 1 11 . 1 1 106 106 GLY C C 106 174.112 174.112 174.664 -0.552 19079 7998 1 11 . 1 1 106 106 GLY CA C 106 45.354 45.354 44.712 0.641 19079 7999 1 11 . 1 1 106 106 GLY H H 106 8.781 8.781 7.910 0.871 19079 8000 1 11 . 1 1 107 107 GLY N N 107 104.052 104.052 110.266 -6.214 19079 8001 1 11 . 1 1 107 107 GLY C C 107 173.970 173.970 174.413 -0.443 19079 8002 1 11 . 1 1 107 107 GLY CA C 107 46.405 46.405 45.040 1.365 19079 8003 1 11 . 1 1 107 107 GLY H H 107 7.727 7.727 7.721 0.006 19079 8004 1 11 . 1 1 108 108 LYS N N 108 122.212 122.212 125.354 -3.142 19079 8005 1 11 . 1 1 108 108 LYS HA H 108 4.442 4.442 4.270 0.172 19079 8006 1 11 . 1 1 108 108 LYS C C 108 175.056 175.056 175.781 -0.725 19079 8007 1 11 . 1 1 108 108 LYS CA C 108 58.497 58.497 56.690 1.807 19079 8008 1 11 . 1 1 108 108 LYS CB C 108 36.053 36.053 33.183 2.870 19079 8009 1 11 . 1 1 108 108 LYS H H 108 8.553 8.553 8.424 0.129 19079 8010 1 11 . 1 1 109 109 LEU N N 109 119.300 119.300 128.007 -8.707 19079 8011 1 11 . 1 1 109 109 LEU HA H 109 4.881 4.881 5.272 -0.391 19079 8012 1 11 . 1 1 109 109 LEU C C 109 175.017 175.017 174.634 0.383 19079 8013 1 11 . 1 1 109 109 LEU CA C 109 53.372 53.372 53.898 -0.526 19079 8014 1 11 . 1 1 109 109 LEU CB C 109 43.275 43.275 43.752 -0.477 19079 8015 1 11 . 1 1 109 109 LEU H H 109 8.065 8.065 9.020 -0.955 19079 8016 1 11 . 1 1 110 110 LEU N N 110 126.757 126.757 127.759 -1.002 19079 8017 1 11 . 1 1 110 110 LEU HA H 110 5.498 5.498 4.861 0.637 19079 8018 1 11 . 1 1 110 110 LEU C C 110 176.125 176.125 175.830 0.295 19079 8019 1 11 . 1 1 110 110 LEU CA C 110 55.318 55.318 54.314 1.004 19079 8020 1 11 . 1 1 110 110 LEU CB C 110 44.799 44.799 44.321 0.478 19079 8021 1 11 . 1 1 110 110 LEU H H 110 9.450 9.450 9.131 0.319 19079 8022 1 11 . 1 1 111 111 CYS N N 111 118.897 118.897 120.562 -1.665 19079 8023 1 11 . 1 1 111 111 CYS HA H 111 5.254 5.254 4.835 0.419 19079 8024 1 11 . 1 1 111 111 CYS C C 111 177.063 177.063 175.789 1.274 19079 8025 1 11 . 1 1 111 111 CYS CA C 111 57.201 57.201 56.544 0.657 19079 8026 1 11 . 1 1 111 111 CYS CB C 111 32.532 32.532 30.730 1.802 19079 8027 1 11 . 1 1 111 111 CYS H H 111 8.575 8.575 8.693 -0.118 19079 8028 1 11 . 1 1 112 112 ARG N N 112 116.382 116.382 120.077 -3.695 19079 8029 1 11 . 1 1 112 112 ARG HA H 112 3.918 3.918 3.920 -0.002 19079 8030 1 11 . 1 1 112 112 ARG C C 112 176.892 176.892 177.475 -0.583 19079 8031 1 11 . 1 1 112 112 ARG CA C 112 59.714 59.714 58.730 0.984 19079 8032 1 11 . 1 1 112 112 ARG CB C 112 29.874 29.874 29.550 0.324 19079 8033 1 11 . 1 1 112 112 ARG H H 112 8.350 8.350 8.615 -0.265 19079 8034 1 11 . 1 1 113 113 HIS N N 113 121.579 121.579 113.456 8.123 19079 8035 1 11 . 1 1 113 113 HIS HA H 113 4.480 4.480 4.728 -0.248 19079 8036 1 11 . 1 1 113 113 HIS C C 113 175.439 175.439 175.869 -0.430 19079 8037 1 11 . 1 1 113 113 HIS CA C 113 58.739 58.739 56.376 2.363 19079 8038 1 11 . 1 1 113 113 HIS CB C 113 31.050 31.050 30.764 0.286 19079 8039 1 11 . 1 1 113 113 HIS H H 113 10.445 10.445 7.231 3.214 19079 8040 1 11 . 1 1 114 114 GLY N N 114 108.273 108.273 105.069 3.204 19079 8041 1 11 . 1 1 114 114 GLY C C 114 169.307 169.307 173.025 -3.718 19079 8042 1 11 . 1 1 114 114 GLY CA C 114 45.413 45.413 44.869 0.544 19079 8043 1 11 . 1 1 114 114 GLY H H 114 7.689 7.689 7.425 0.264 19079 8044 1 11 . 1 1 115 115 VAL N N 115 120.998 120.998 121.300 -0.302 19079 8045 1 11 . 1 1 115 115 VAL HA H 115 4.476 4.476 4.071 0.405 19079 8046 1 11 . 1 1 115 115 VAL C C 115 173.881 173.881 176.927 -3.046 19079 8047 1 11 . 1 1 115 115 VAL CA C 115 62.513 62.513 64.426 -1.913 19079 8048 1 11 . 1 1 115 115 VAL CB C 115 32.113 32.113 31.294 0.819 19079 8049 1 11 . 1 1 115 115 VAL H H 115 8.455 8.455 8.562 -0.107 19079 8050 1 11 . 1 1 116 116 ILE N N 116 114.566 114.566 116.849 -2.283 19079 8051 1 11 . 1 1 116 116 ILE HA H 116 4.603 4.603 4.617 -0.014 19079 8052 1 11 . 1 1 116 116 ILE C C 116 175.445 175.445 174.717 0.728 19079 8053 1 11 . 1 1 116 116 ILE CA C 116 61.470 61.470 60.261 1.209 19079 8054 1 11 . 1 1 116 116 ILE CB C 116 40.782 40.782 39.148 1.634 19079 8055 1 11 . 1 1 116 116 ILE H H 116 8.460 8.460 9.124 -0.664 19079 8056 1 11 . 1 1 117 117 GLY N N 117 106.195 106.195 107.905 -1.710 19079 8057 1 11 . 1 1 117 117 GLY C C 117 171.664 171.664 171.884 -0.220 19079 8058 1 11 . 1 1 117 117 GLY CA C 117 46.303 46.303 45.842 0.461 19079 8059 1 11 . 1 1 117 117 GLY H H 117 7.827 7.827 7.537 0.290 19079 8060 1 11 . 1 1 118 118 ILE N N 118 109.501 109.501 115.728 -6.227 19079 8061 1 11 . 1 1 118 118 ILE HA H 118 5.611 5.611 5.597 0.014 19079 8062 1 11 . 1 1 118 118 ILE C C 118 176.642 176.642 175.250 1.392 19079 8063 1 11 . 1 1 118 118 ILE CA C 118 58.787 58.787 57.631 1.156 19079 8064 1 11 . 1 1 118 118 ILE CB C 118 43.351 43.351 41.919 1.433 19079 8065 1 11 . 1 1 118 118 ILE H H 118 7.571 7.571 7.995 -0.424 19079 8066 1 11 . 1 1 119 119 ILE N N 119 124.258 124.258 119.842 4.416 19079 8067 1 11 . 1 1 119 119 ILE HA H 119 3.774 3.774 3.473 0.301 19079 8068 1 11 . 1 1 119 119 ILE C C 119 177.447 177.447 176.704 0.743 19079 8069 1 11 . 1 1 119 119 ILE CA C 119 64.399 64.399 61.681 2.718 19079 8070 1 11 . 1 1 119 119 ILE CB C 119 39.393 39.393 36.325 3.068 19079 8071 1 11 . 1 1 119 119 ILE H H 119 9.465 9.465 8.031 1.434 19079 8072 1 11 . 1 1 120 120 THR N N 120 122.153 122.153 122.294 -0.141 19079 8073 1 11 . 1 1 120 120 THR HA H 120 4.670 4.670 4.267 0.403 19079 8074 1 11 . 1 1 120 120 THR C C 120 171.416 171.416 174.047 -2.631 19079 8075 1 11 . 1 1 120 120 THR CA C 120 61.440 61.440 61.778 -0.338 19079 8076 1 11 . 1 1 120 120 THR CB C 120 70.455 70.455 69.328 1.127 19079 8077 1 11 . 1 1 120 120 THR H H 120 9.400 9.400 8.061 1.339 19079 8078 1 11 . 1 1 121 121 ALA N N 121 124.014 124.014 120.855 3.159 19079 8079 1 11 . 1 1 121 121 ALA HA H 121 4.583 4.583 4.547 0.036 19079 8080 1 11 . 1 1 121 121 ALA C C 121 173.695 173.695 174.569 -0.874 19079 8081 1 11 . 1 1 121 121 ALA CA C 121 51.833 51.833 51.766 0.067 19079 8082 1 11 . 1 1 121 121 ALA CB C 121 22.523 22.523 19.833 2.690 19079 8083 1 11 . 1 1 121 121 ALA H H 121 7.885 7.885 6.995 0.890 19079 8084 1 11 . 1 1 122 122 GLY N N 122 103.252 103.252 106.231 -2.979 19079 8085 1 11 . 1 1 122 122 GLY C C 122 172.124 172.124 173.295 -1.171 19079 8086 1 11 . 1 1 122 122 GLY CA C 122 45.917 45.917 45.071 0.846 19079 8087 1 11 . 1 1 122 122 GLY H H 122 7.828 7.828 8.438 -0.610 19079 8088 1 11 . 1 1 123 123 GLY N N 123 107.688 107.688 107.111 0.577 19079 8089 1 11 . 1 1 123 123 GLY C C 123 174.470 174.470 173.209 1.261 19079 8090 1 11 . 1 1 123 123 GLY CA C 123 45.051 45.051 45.196 -0.145 19079 8091 1 11 . 1 1 123 123 GLY H H 123 8.285 8.285 8.608 -0.323 19079 8092 1 11 . 1 1 124 124 ASP N N 124 120.288 120.288 119.574 0.714 19079 8093 1 11 . 1 1 124 124 ASP HA H 124 4.621 4.621 4.333 0.288 19079 8094 1 11 . 1 1 124 124 ASP C C 124 176.061 176.061 177.043 -0.982 19079 8095 1 11 . 1 1 124 124 ASP CA C 124 55.465 55.465 54.989 0.476 19079 8096 1 11 . 1 1 124 124 ASP CB C 124 40.111 40.111 40.687 -0.576 19079 8097 1 11 . 1 1 124 124 ASP H H 124 9.054 9.054 7.969 1.085 19079 8098 1 11 . 1 1 125 125 GLY N N 125 105.482 105.482 108.418 -2.936 19079 8099 1 11 . 1 1 125 125 GLY C C 125 174.566 174.566 172.833 1.733 19079 8100 1 11 . 1 1 125 125 GLY CA C 125 45.493 45.493 45.391 0.102 19079 8101 1 11 . 1 1 125 125 GLY H H 125 8.567 8.567 8.805 -0.238 19079 8102 1 11 . 1 1 126 126 HIS N N 126 117.677 117.677 118.399 -0.722 19079 8103 1 11 . 1 1 126 126 HIS HA H 126 5.449 5.449 5.179 0.270 19079 8104 1 11 . 1 1 126 126 HIS C C 126 172.058 172.058 173.334 -1.276 19079 8105 1 11 . 1 1 126 126 HIS CA C 126 54.653 54.653 55.234 -0.581 19079 8106 1 11 . 1 1 126 126 HIS CB C 126 31.709 31.709 32.774 -1.065 19079 8107 1 11 . 1 1 126 126 HIS H H 126 7.852 7.852 7.584 0.268 19079 8108 1 11 . 1 1 127 127 VAL N N 127 121.145 121.145 124.915 -3.770 19079 8109 1 11 . 1 1 127 127 VAL HA H 127 4.230 4.230 4.331 -0.101 19079 8110 1 11 . 1 1 127 127 VAL C C 127 170.317 170.317 173.705 -3.388 19079 8111 1 11 . 1 1 127 127 VAL CA C 127 60.125 60.125 60.108 0.017 19079 8112 1 11 . 1 1 127 127 VAL CB C 127 34.681 34.681 34.484 0.197 19079 8113 1 11 . 1 1 127 127 VAL H H 127 8.857 8.857 8.904 -0.047 19079 8114 1 11 . 1 1 128 128 ALA N N 128 127.867 127.867 131.856 -3.989 19079 8115 1 11 . 1 1 128 128 ALA HA H 128 5.222 5.222 4.890 0.332 19079 8116 1 11 . 1 1 128 128 ALA C C 128 175.506 175.506 175.857 -0.351 19079 8117 1 11 . 1 1 128 128 ALA CA C 128 49.199 49.199 50.827 -1.628 19079 8118 1 11 . 1 1 128 128 ALA CB C 128 21.731 21.731 20.882 0.849 19079 8119 1 11 . 1 1 128 128 ALA H H 128 8.400 8.400 8.549 -0.149 19079 8120 1 11 . 1 1 129 129 PHE N N 129 121.202 121.202 117.847 3.355 19079 8121 1 11 . 1 1 129 129 PHE HA H 129 5.301 5.301 5.139 0.162 19079 8122 1 11 . 1 1 129 129 PHE C C 129 176.082 176.082 175.430 0.652 19079 8123 1 11 . 1 1 129 129 PHE CA C 129 54.759 54.759 56.781 -2.022 19079 8124 1 11 . 1 1 129 129 PHE CB C 129 41.372 41.372 43.794 -2.422 19079 8125 1 11 . 1 1 129 129 PHE H H 129 9.689 9.689 8.274 1.415 19079 8126 1 11 . 1 1 130 130 THR N N 130 121.809 121.809 120.077 1.732 19079 8127 1 11 . 1 1 130 130 THR HA H 130 4.573 4.573 4.767 -0.194 19079 8128 1 11 . 1 1 130 130 THR C C 130 173.050 173.050 174.181 -1.131 19079 8129 1 11 . 1 1 130 130 THR CA C 130 63.487 63.487 61.347 2.140 19079 8130 1 11 . 1 1 130 130 THR CB C 130 70.852 70.852 69.657 1.195 19079 8131 1 11 . 1 1 130 130 THR H H 130 8.848 8.848 8.942 -0.094 19079 8132 1 11 . 1 1 131 131 ASP N N 131 128.382 128.382 129.659 -1.277 19079 8133 1 11 . 1 1 131 131 ASP HA H 131 4.915 4.915 4.735 0.180 19079 8134 1 11 . 1 1 131 131 ASP C C 131 175.616 175.616 176.836 -1.220 19079 8135 1 11 . 1 1 131 131 ASP CA C 131 52.924 52.924 54.673 -1.749 19079 8136 1 11 . 1 1 131 131 ASP CB C 131 41.513 41.513 41.111 0.402 19079 8137 1 11 . 1 1 131 131 ASP H H 131 8.722 8.722 8.270 0.452 19079 8138 1 11 . 1 1 132 132 LEU N N 132 123.250 123.250 126.845 -3.595 19079 8139 1 11 . 1 1 132 132 LEU HA H 132 4.325 4.325 4.360 -0.035 19079 8140 1 11 . 1 1 132 132 LEU C C 132 179.704 179.704 178.046 1.658 19079 8141 1 11 . 1 1 132 132 LEU CA C 132 55.286 55.286 56.376 -1.089 19079 8142 1 11 . 1 1 132 132 LEU CB C 132 42.640 42.640 42.304 0.336 19079 8143 1 11 . 1 1 132 132 LEU H H 132 8.788 8.788 8.352 0.436 19079 8144 1 11 . 1 1 133 133 ARG N N 133 119.561 119.561 120.533 -0.972 19079 8145 1 11 . 1 1 133 133 ARG HA H 133 3.977 3.977 4.151 -0.174 19079 8146 1 11 . 1 1 133 133 ARG C C 133 177.476 177.476 175.162 2.314 19079 8147 1 11 . 1 1 133 133 ARG CA C 133 61.799 61.799 60.724 1.075 19079 8148 1 11 . 1 1 133 133 ARG CB C 133 27.601 27.601 28.271 -0.670 19079 8149 1 11 . 1 1 133 133 ARG H H 133 8.961 8.961 7.843 1.118 19079 8150 1 11 . 1 1 134 134 PRO HA H 134 4.284 4.284 4.372 -0.088 19079 8151 1 11 . 1 1 134 134 PRO C C 134 175.695 175.695 175.465 0.230 19079 8152 1 11 . 1 1 134 134 PRO CA C 134 64.508 64.508 63.676 0.832 19079 8153 1 11 . 1 1 134 134 PRO CB C 134 31.008 31.008 29.970 1.038 19079 8154 1 11 . 1 1 135 135 TYR N N 135 114.745 114.745 119.387 -4.642 19079 8155 1 11 . 1 1 135 135 TYR HA H 135 4.420 4.420 4.576 -0.156 19079 8156 1 11 . 1 1 135 135 TYR C C 135 175.146 175.146 174.937 0.209 19079 8157 1 11 . 1 1 135 135 TYR CA C 135 57.322 57.322 58.912 -1.590 19079 8158 1 11 . 1 1 135 135 TYR CB C 135 39.549 39.549 40.321 -0.772 19079 8159 1 11 . 1 1 135 135 TYR H H 135 7.419 7.419 8.705 -1.286 19079 8160 1 11 . 1 1 136 136 ASN N N 136 119.088 119.088 118.946 0.142 19079 8161 1 11 . 1 1 136 136 ASN HA H 136 4.622 4.622 5.125 -0.503 19079 8162 1 11 . 1 1 136 136 ASN C C 136 175.650 175.650 175.589 0.061 19079 8163 1 11 . 1 1 136 136 ASN CA C 136 53.601 53.601 52.360 1.241 19079 8164 1 11 . 1 1 136 136 ASN CB C 136 38.741 38.741 40.439 -1.698 19079 8165 1 11 . 1 1 136 136 ASN H H 136 7.245 7.245 7.816 -0.571 19079 8166 1 11 . 1 1 137 137 ILE N N 137 126.031 126.031 122.457 3.574 19079 8167 1 11 . 1 1 137 137 ILE HA H 137 4.135 4.135 4.356 -0.221 19079 8168 1 11 . 1 1 137 137 ILE C C 137 175.636 175.636 175.840 -0.204 19079 8169 1 11 . 1 1 137 137 ILE CA C 137 61.215 61.215 59.610 1.605 19079 8170 1 11 . 1 1 137 137 ILE CB C 137 38.380 38.380 35.171 3.209 19079 8171 1 11 . 1 1 137 137 ILE H H 137 7.849 7.849 8.537 -0.688 19079 8172 1 11 . 1 1 138 138 LYS N N 138 125.271 125.271 122.572 2.699 19079 8173 1 11 . 1 1 138 138 LYS HA H 138 4.368 4.368 4.041 0.327 19079 8174 1 11 . 1 1 138 138 LYS C C 138 176.110 176.110 176.514 -0.404 19079 8175 1 11 . 1 1 138 138 LYS CA C 138 55.906 55.906 58.619 -2.713 19079 8176 1 11 . 1 1 138 138 LYS CB C 138 33.564 33.564 32.482 1.082 19079 8177 1 11 . 1 1 138 138 LYS H H 138 8.171 8.171 8.132 0.039 19079 8178 1 11 . 1 1 139 139 ALA N N 139 124.226 124.226 119.747 4.479 19079 8179 1 11 . 1 1 139 139 ALA HA H 139 4.384 4.384 4.361 0.023 19079 8180 1 11 . 1 1 139 139 ALA C C 139 177.788 177.788 176.053 1.735 19079 8181 1 11 . 1 1 139 139 ALA CA C 139 52.522 52.522 52.335 0.187 19079 8182 1 11 . 1 1 139 139 ALA CB C 139 19.531 19.531 19.263 0.268 19079 8183 1 11 . 1 1 139 139 ALA H H 139 8.207 8.207 8.011 0.196 19079 8184 1 11 . 1 1 140 140 THR N N 140 112.869 112.869 112.046 0.823 19079 8185 1 11 . 1 1 140 140 THR HA H 140 4.390 4.390 4.750 -0.360 19079 8186 1 11 . 1 1 140 140 THR C C 140 174.522 174.522 173.478 1.044 19079 8187 1 11 . 1 1 140 140 THR CA C 140 61.685 61.685 61.365 0.320 19079 8188 1 11 . 1 1 140 140 THR CB C 140 69.961 69.961 71.227 -1.266 19079 8189 1 11 . 1 1 140 140 THR H H 140 8.094 8.094 8.106 -0.012 19079 8190 1 11 . 1 1 141 141 SER N N 141 118.138 118.138 115.548 2.590 19079 8191 1 11 . 1 1 141 141 SER HA H 141 4.500 4.500 4.679 -0.179 19079 8192 1 11 . 1 1 141 141 SER C C 141 173.503 173.503 173.451 0.052 19079 8193 1 11 . 1 1 141 141 SER CA C 141 58.315 58.315 57.793 0.522 19079 8194 1 11 . 1 1 141 141 SER CB C 141 64.039 64.039 64.393 -0.354 19079 8195 1 11 . 1 1 141 141 SER H H 141 8.209 8.209 8.640 -0.431 19079 8196 1 12 . 1 1 2 2 PRO HA H 2 4.360 4.360 4.601 -0.241 19079 8197 1 12 . 1 1 2 2 PRO C C 2 178.185 178.185 175.627 2.558 19079 8198 1 12 . 1 1 2 2 PRO CA C 2 65.722 65.722 62.401 3.321 19079 8199 1 12 . 1 1 2 2 PRO CB C 2 33.078 33.078 32.625 0.453 19079 8200 1 12 . 1 1 3 3 SER N N 3 112.403 112.403 116.629 -4.226 19079 8201 1 12 . 1 1 3 3 SER HA H 3 3.136 3.136 4.777 -1.641 19079 8202 1 12 . 1 1 3 3 SER C C 3 172.101 172.101 173.189 -1.088 19079 8203 1 12 . 1 1 3 3 SER CA C 3 57.421 57.421 58.386 -0.965 19079 8204 1 12 . 1 1 3 3 SER CB C 3 62.812 62.812 65.479 -2.667 19079 8205 1 12 . 1 1 3 3 SER H H 3 8.494 8.494 8.280 0.213 19079 8206 1 12 . 1 1 4 4 ASP N N 4 119.024 119.024 124.646 -5.622 19079 8207 1 12 . 1 1 4 4 ASP HA H 4 4.438 4.438 4.517 -0.079 19079 8208 1 12 . 1 1 4 4 ASP C C 4 177.371 177.371 176.167 1.204 19079 8209 1 12 . 1 1 4 4 ASP CA C 4 54.800 54.800 54.170 0.630 19079 8210 1 12 . 1 1 4 4 ASP CB C 4 41.495 41.495 43.019 -1.524 19079 8211 1 12 . 1 1 4 4 ASP H H 4 6.841 6.841 8.356 -1.515 19079 8212 1 12 . 1 1 5 5 LEU N N 5 129.426 129.426 120.556 8.870 19079 8213 1 12 . 1 1 5 5 LEU HA H 5 4.526 4.526 4.016 0.510 19079 8214 1 12 . 1 1 5 5 LEU C C 5 176.246 176.246 176.934 -0.688 19079 8215 1 12 . 1 1 5 5 LEU CA C 5 54.010 54.010 55.826 -1.816 19079 8216 1 12 . 1 1 5 5 LEU CB C 5 40.690 40.690 41.888 -1.198 19079 8217 1 12 . 1 1 5 5 LEU H H 5 8.781 8.781 7.865 0.916 19079 8218 1 12 . 1 1 6 6 PHE HA H 6 4.842 4.842 4.498 0.344 19079 8219 1 12 . 1 1 6 6 PHE C C 6 174.584 174.584 176.544 -1.960 19079 8220 1 12 . 1 1 6 6 PHE CA C 6 56.782 56.782 57.839 -1.057 19079 8221 1 12 . 1 1 6 6 PHE CB C 6 39.576 39.576 38.518 1.058 19079 8222 1 12 . 1 1 7 7 VAL N N 7 118.923 118.923 122.911 -3.988 19079 8223 1 12 . 1 1 7 7 VAL HA H 7 4.528 4.528 4.152 0.376 19079 8224 1 12 . 1 1 7 7 VAL C C 7 173.989 173.989 174.048 -0.059 19079 8225 1 12 . 1 1 7 7 VAL CA C 7 61.571 61.571 61.031 0.540 19079 8226 1 12 . 1 1 7 7 VAL CB C 7 34.826 34.826 35.004 -0.178 19079 8227 1 12 . 1 1 7 7 VAL H H 7 8.586 8.586 8.289 0.297 19079 8228 1 12 . 1 1 8 8 HIS N N 8 132.990 132.990 122.362 10.628 19079 8229 1 12 . 1 1 8 8 HIS HA H 8 5.997 5.997 5.399 0.598 19079 8230 1 12 . 1 1 8 8 HIS C C 8 174.184 174.184 175.347 -1.163 19079 8231 1 12 . 1 1 8 8 HIS CA C 8 53.113 53.113 53.384 -0.271 19079 8232 1 12 . 1 1 8 8 HIS CB C 8 33.889 33.889 30.730 3.159 19079 8233 1 12 . 1 1 8 8 HIS H H 8 10.809 10.809 8.228 2.581 19079 8234 1 12 . 1 1 9 9 THR N N 9 118.112 118.112 116.711 1.401 19079 8235 1 12 . 1 1 9 9 THR HA H 9 5.343 5.343 4.667 0.676 19079 8236 1 12 . 1 1 9 9 THR C C 9 175.788 175.788 174.873 0.915 19079 8237 1 12 . 1 1 9 9 THR CA C 9 59.768 59.768 61.733 -1.965 19079 8238 1 12 . 1 1 9 9 THR CB C 9 70.673 70.673 69.612 1.061 19079 8239 1 12 . 1 1 9 9 THR H H 9 9.512 9.512 8.805 0.707 19079 8240 1 12 . 1 1 10 10 GLU N N 10 117.927 117.927 125.328 -7.401 19079 8241 1 12 . 1 1 10 10 GLU HA H 10 4.096 4.096 3.838 0.258 19079 8242 1 12 . 1 1 10 10 GLU C C 10 176.321 176.321 176.487 -0.166 19079 8243 1 12 . 1 1 10 10 GLU CA C 10 59.900 59.900 59.426 0.474 19079 8244 1 12 . 1 1 10 10 GLU CB C 10 29.983 29.983 27.699 2.284 19079 8245 1 12 . 1 1 10 10 GLU H H 10 8.812 8.812 9.177 -0.365 19079 8246 1 12 . 1 1 11 11 GLN N N 11 110.877 110.877 119.974 -9.097 19079 8247 1 12 . 1 1 11 11 GLN HA H 11 4.621 4.621 4.863 -0.242 19079 8248 1 12 . 1 1 11 11 GLN C C 11 175.391 175.391 173.640 1.751 19079 8249 1 12 . 1 1 11 11 GLN CA C 11 56.071 56.071 55.171 0.900 19079 8250 1 12 . 1 1 11 11 GLN CB C 11 31.963 31.963 31.716 0.247 19079 8251 1 12 . 1 1 11 11 GLN H H 11 7.797 7.797 8.372 -0.575 19079 8252 1 12 . 1 1 12 12 ALA N N 12 122.143 122.143 122.827 -0.684 19079 8253 1 12 . 1 1 12 12 ALA HA H 12 5.049 5.049 5.407 -0.358 19079 8254 1 12 . 1 1 12 12 ALA C C 12 174.293 174.293 175.644 -1.351 19079 8255 1 12 . 1 1 12 12 ALA CA C 12 51.943 51.943 50.126 1.817 19079 8256 1 12 . 1 1 12 12 ALA CB C 12 23.177 23.177 21.866 1.311 19079 8257 1 12 . 1 1 12 12 ALA H H 12 7.814 7.814 8.263 -0.449 19079 8258 1 12 . 1 1 13 13 ILE N N 13 119.589 119.589 125.961 -6.372 19079 8259 1 12 . 1 1 13 13 ILE HA H 13 5.399 5.399 4.836 0.563 19079 8260 1 12 . 1 1 13 13 ILE C C 13 174.295 174.295 175.220 -0.925 19079 8261 1 12 . 1 1 13 13 ILE CA C 13 60.102 60.102 59.845 0.257 19079 8262 1 12 . 1 1 13 13 ILE CB C 13 41.080 41.080 38.291 2.789 19079 8263 1 12 . 1 1 13 13 ILE H H 13 9.206 9.206 8.796 0.410 19079 8264 1 12 . 1 1 14 14 TYR N N 14 127.337 127.337 129.328 -1.991 19079 8265 1 12 . 1 1 14 14 TYR HA H 14 4.853 4.853 4.679 0.174 19079 8266 1 12 . 1 1 14 14 TYR C C 14 172.793 172.793 175.334 -2.541 19079 8267 1 12 . 1 1 14 14 TYR CA C 14 56.784 56.784 57.846 -1.062 19079 8268 1 12 . 1 1 14 14 TYR CB C 14 39.797 39.797 39.483 0.313 19079 8269 1 12 . 1 1 14 14 TYR H H 14 9.794 9.794 9.195 0.599 19079 8270 1 12 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.730 -0.358 19079 8271 1 12 . 1 1 15 15 LYS CA C 15 55.924 55.924 55.516 0.409 19079 8272 1 12 . 1 1 15 15 LYS CB C 15 33.563 33.563 37.384 -3.821 19079 8273 1 12 . 1 1 15 15 LYS H H 15 7.550 7.550 8.055 -0.505 19079 8274 1 12 . 1 1 16 16 ASN N N 16 107.943 107.943 117.630 -9.687 19079 8275 1 12 . 1 1 16 16 ASN HA H 16 5.098 5.098 4.666 0.432 19079 8276 1 12 . 1 1 16 16 ASN C C 16 176.475 176.475 176.286 0.189 19079 8277 1 12 . 1 1 16 16 ASN CA C 16 54.072 54.072 54.315 -0.243 19079 8278 1 12 . 1 1 16 16 ASN CB C 16 38.619 38.619 38.938 -0.319 19079 8279 1 12 . 1 1 16 16 ASN H H 16 8.156 8.156 8.771 -0.615 19079 8280 1 12 . 1 1 17 17 ALA N N 17 127.319 127.319 127.560 -0.241 19079 8281 1 12 . 1 1 17 17 ALA HA H 17 3.608 3.608 4.175 -0.567 19079 8282 1 12 . 1 1 17 17 ALA C C 17 180.081 180.081 178.602 1.479 19079 8283 1 12 . 1 1 17 17 ALA CA C 17 54.282 54.282 55.082 -0.800 19079 8284 1 12 . 1 1 17 17 ALA CB C 17 17.646 17.646 19.341 -1.695 19079 8285 1 12 . 1 1 17 17 ALA H H 17 7.573 7.573 8.284 -0.711 19079 8286 1 12 . 1 1 18 18 HIS N N 18 108.625 108.625 115.082 -6.457 19079 8287 1 12 . 1 1 18 18 HIS HA H 18 4.504 4.504 4.493 0.011 19079 8288 1 12 . 1 1 18 18 HIS C C 18 174.182 174.182 176.004 -1.822 19079 8289 1 12 . 1 1 18 18 HIS CA C 18 57.782 57.782 57.147 0.635 19079 8290 1 12 . 1 1 18 18 HIS CB C 18 26.798 26.798 29.803 -3.005 19079 8291 1 12 . 1 1 18 18 HIS H H 18 8.118 8.118 8.346 -0.228 19079 8292 1 12 . 1 1 19 19 LEU N N 19 117.682 117.682 119.078 -1.396 19079 8293 1 12 . 1 1 19 19 LEU HA H 19 4.444 4.444 4.714 -0.270 19079 8294 1 12 . 1 1 19 19 LEU C C 19 175.795 175.795 176.624 -0.829 19079 8295 1 12 . 1 1 19 19 LEU CA C 19 53.309 53.309 55.122 -1.813 19079 8296 1 12 . 1 1 19 19 LEU CB C 19 42.366 42.366 43.037 -0.671 19079 8297 1 12 . 1 1 19 19 LEU H H 19 6.677 6.677 7.430 -0.753 19079 8298 1 12 . 1 1 20 20 THR N N 20 116.187 116.187 109.339 6.848 19079 8299 1 12 . 1 1 20 20 THR HA H 20 4.700 4.700 4.591 0.109 19079 8300 1 12 . 1 1 20 20 THR C C 20 171.105 171.105 175.423 -4.318 19079 8301 1 12 . 1 1 20 20 THR CA C 20 58.570 58.570 61.206 -2.636 19079 8302 1 12 . 1 1 20 20 THR CB C 20 69.724 69.724 69.619 0.105 19079 8303 1 12 . 1 1 20 20 THR H H 20 7.399 7.399 7.552 -0.153 19079 8304 1 12 . 1 1 21 21 THR N N 21 114.194 114.194 116.691 -2.497 19079 8305 1 12 . 1 1 21 21 THR HA H 21 5.124 5.124 4.203 0.921 19079 8306 1 12 . 1 1 21 21 THR CA C 21 58.991 58.991 64.480 -5.489 19079 8307 1 12 . 1 1 21 21 THR CB C 21 71.564 71.564 67.140 4.424 19079 8308 1 12 . 1 1 21 21 THR H H 21 8.410 8.410 7.730 0.680 19079 8309 1 12 . 1 1 22 22 PRO HA H 22 4.432 4.432 4.476 -0.044 19079 8310 1 12 . 1 1 22 22 PRO C C 22 175.895 175.895 176.171 -0.276 19079 8311 1 12 . 1 1 22 22 PRO CA C 22 63.390 63.390 63.757 -0.367 19079 8312 1 12 . 1 1 22 22 PRO CB C 22 32.203 32.203 31.668 0.535 19079 8313 1 12 . 1 1 23 23 ASN N N 23 119.233 119.233 121.841 -2.608 19079 8314 1 12 . 1 1 23 23 ASN HA H 23 5.032 5.032 4.682 0.350 19079 8315 1 12 . 1 1 23 23 ASN C C 23 175.963 175.963 174.389 1.574 19079 8316 1 12 . 1 1 23 23 ASN CA C 23 52.452 52.452 53.968 -1.516 19079 8317 1 12 . 1 1 23 23 ASN CB C 23 41.420 41.420 40.309 1.111 19079 8318 1 12 . 1 1 23 23 ASN H H 23 9.227 9.227 8.420 0.807 19079 8319 1 12 . 1 1 24 24 ASP N N 24 119.074 119.074 118.011 1.063 19079 8320 1 12 . 1 1 24 24 ASP HA H 24 4.417 4.417 4.309 0.108 19079 8321 1 12 . 1 1 24 24 ASP C C 24 176.983 176.983 175.319 1.664 19079 8322 1 12 . 1 1 24 24 ASP CA C 24 56.942 56.942 55.862 1.080 19079 8323 1 12 . 1 1 24 24 ASP CB C 24 40.266 40.266 39.599 0.667 19079 8324 1 12 . 1 1 24 24 ASP H H 24 8.649 8.649 8.663 -0.014 19079 8325 1 12 . 1 1 25 25 GLN N N 25 116.580 116.580 115.780 0.800 19079 8326 1 12 . 1 1 25 25 GLN HA H 25 4.425 4.425 4.462 -0.037 19079 8327 1 12 . 1 1 25 25 GLN C C 25 177.373 177.373 174.472 2.901 19079 8328 1 12 . 1 1 25 25 GLN CA C 25 55.419 55.419 55.073 0.346 19079 8329 1 12 . 1 1 25 25 GLN CB C 25 28.933 28.933 30.134 -1.200 19079 8330 1 12 . 1 1 25 25 GLN H H 25 9.028 9.028 8.188 0.840 19079 8331 1 12 . 1 1 26 26 THR N N 26 122.196 122.196 110.459 11.737 19079 8332 1 12 . 1 1 26 26 THR HA H 26 4.779 4.779 4.681 0.098 19079 8333 1 12 . 1 1 26 26 THR C C 26 174.583 174.583 173.848 0.735 19079 8334 1 12 . 1 1 26 26 THR CA C 26 65.218 65.218 61.413 3.804 19079 8335 1 12 . 1 1 26 26 THR CB C 26 68.963 68.963 70.060 -1.097 19079 8336 1 12 . 1 1 26 26 THR H H 26 7.692 7.692 7.522 0.170 19079 8337 1 12 . 1 1 27 27 ILE N N 27 129.367 129.367 118.567 10.800 19079 8338 1 12 . 1 1 27 27 ILE HA H 27 4.112 4.112 4.340 -0.228 19079 8339 1 12 . 1 1 27 27 ILE C C 27 175.734 175.734 175.020 0.714 19079 8340 1 12 . 1 1 27 27 ILE CA C 27 62.558 62.558 62.169 0.389 19079 8341 1 12 . 1 1 27 27 ILE CB C 27 40.357 40.357 39.993 0.364 19079 8342 1 12 . 1 1 27 27 ILE H H 27 9.785 9.785 8.431 1.354 19079 8343 1 12 . 1 1 28 28 LEU N N 28 120.773 120.773 122.704 -1.931 19079 8344 1 12 . 1 1 28 28 LEU HA H 28 4.506 4.506 4.708 -0.202 19079 8345 1 12 . 1 1 28 28 LEU C C 28 173.083 173.083 174.718 -1.635 19079 8346 1 12 . 1 1 28 28 LEU CA C 28 55.337 55.337 54.622 0.715 19079 8347 1 12 . 1 1 28 28 LEU CB C 28 45.942 45.942 44.170 1.772 19079 8348 1 12 . 1 1 28 28 LEU H H 28 7.814 7.814 7.746 0.068 19079 8349 1 12 . 1 1 29 29 LEU N N 29 128.285 128.285 123.960 4.325 19079 8350 1 12 . 1 1 29 29 LEU HA H 29 4.798 4.798 5.289 -0.491 19079 8351 1 12 . 1 1 29 29 LEU C C 29 174.589 174.589 175.812 -1.223 19079 8352 1 12 . 1 1 29 29 LEU CA C 29 54.133 54.133 53.734 0.399 19079 8353 1 12 . 1 1 29 29 LEU CB C 29 43.909 43.909 45.626 -1.716 19079 8354 1 12 . 1 1 29 29 LEU H H 29 8.653 8.653 8.036 0.617 19079 8355 1 12 . 1 1 30 30 ALA N N 30 132.532 132.532 125.571 6.961 19079 8356 1 12 . 1 1 30 30 ALA HA H 30 4.995 4.995 4.890 0.105 19079 8357 1 12 . 1 1 30 30 ALA C C 30 177.994 177.994 177.607 0.387 19079 8358 1 12 . 1 1 30 30 ALA CA C 30 49.621 49.621 50.365 -0.744 19079 8359 1 12 . 1 1 30 30 ALA CB C 30 18.022 18.022 18.550 -0.528 19079 8360 1 12 . 1 1 30 30 ALA H H 30 9.179 9.179 8.926 0.253 19079 8361 1 12 . 1 1 31 31 LEU N N 31 126.651 126.651 121.008 5.643 19079 8362 1 12 . 1 1 31 31 LEU HA H 31 4.619 4.619 4.071 0.548 19079 8363 1 12 . 1 1 31 31 LEU CA C 31 59.032 59.032 57.662 1.370 19079 8364 1 12 . 1 1 31 31 LEU CB C 31 41.356 41.356 41.225 0.131 19079 8365 1 12 . 1 1 31 31 LEU H H 31 8.828 8.828 8.410 0.418 19079 8366 1 12 . 1 1 32 32 THR HA H 32 4.283 4.283 3.945 0.338 19079 8367 1 12 . 1 1 32 32 THR C C 32 173.341 173.341 174.870 -1.529 19079 8368 1 12 . 1 1 32 32 THR CA C 32 63.443 63.443 65.265 -1.822 19079 8369 1 12 . 1 1 32 32 THR CB C 32 68.639 68.639 68.526 0.113 19079 8370 1 12 . 1 1 32 32 THR H H 32 8.105 8.105 8.005 0.100 19079 8371 1 12 . 1 1 33 33 ALA N N 33 122.960 122.960 118.926 4.034 19079 8372 1 12 . 1 1 33 33 ALA HA H 33 5.301 5.301 4.708 0.593 19079 8373 1 12 . 1 1 33 33 ALA C C 33 175.467 175.467 174.902 0.565 19079 8374 1 12 . 1 1 33 33 ALA CA C 33 50.782 50.782 50.624 0.158 19079 8375 1 12 . 1 1 33 33 ALA CB C 33 20.256 20.256 20.898 -0.642 19079 8376 1 12 . 1 1 33 33 ALA H H 33 7.328 7.328 7.779 -0.451 19079 8377 1 12 . 1 1 34 34 ASP N N 34 115.713 115.713 117.434 -1.721 19079 8378 1 12 . 1 1 34 34 ASP HA H 34 4.194 4.194 4.217 -0.023 19079 8379 1 12 . 1 1 34 34 ASP C C 34 175.750 175.750 174.198 1.552 19079 8380 1 12 . 1 1 34 34 ASP CA C 34 55.269 55.269 54.928 0.341 19079 8381 1 12 . 1 1 34 34 ASP CB C 34 40.525 40.525 38.491 2.034 19079 8382 1 12 . 1 1 34 34 ASP H H 34 7.927 7.927 7.678 0.249 19079 8383 1 12 . 1 1 35 35 LEU N N 35 119.485 119.485 121.036 -1.551 19079 8384 1 12 . 1 1 35 35 LEU HA H 35 5.102 5.102 4.577 0.525 19079 8385 1 12 . 1 1 35 35 LEU C C 35 173.060 173.060 174.147 -1.087 19079 8386 1 12 . 1 1 35 35 LEU CA C 35 54.268 54.268 54.506 -0.238 19079 8387 1 12 . 1 1 35 35 LEU CB C 35 47.326 47.326 45.858 1.468 19079 8388 1 12 . 1 1 35 35 LEU H H 35 7.820 7.820 7.522 0.298 19079 8389 1 12 . 1 1 36 36 GLN N N 36 127.748 127.748 123.104 4.644 19079 8390 1 12 . 1 1 36 36 GLN HA H 36 4.790 4.790 4.778 0.012 19079 8391 1 12 . 1 1 36 36 GLN C C 36 173.161 173.161 173.785 -0.624 19079 8392 1 12 . 1 1 36 36 GLN CA C 36 55.286 55.286 54.240 1.046 19079 8393 1 12 . 1 1 36 36 GLN CB C 36 32.594 32.594 33.114 -0.520 19079 8394 1 12 . 1 1 36 36 GLN H H 36 9.050 9.050 8.009 1.041 19079 8395 1 12 . 1 1 37 37 ILE N N 37 125.606 125.606 120.325 5.281 19079 8396 1 12 . 1 1 37 37 ILE HA H 37 4.807 4.807 4.904 -0.097 19079 8397 1 12 . 1 1 37 37 ILE C C 37 174.921 174.921 174.264 0.657 19079 8398 1 12 . 1 1 37 37 ILE CA C 37 59.869 59.869 59.481 0.388 19079 8399 1 12 . 1 1 37 37 ILE CB C 37 39.750 39.750 42.184 -2.434 19079 8400 1 12 . 1 1 37 37 ILE H H 37 8.828 8.828 8.339 0.489 19079 8401 1 12 . 1 1 38 38 ASP N N 38 128.163 128.163 122.472 5.691 19079 8402 1 12 . 1 1 38 38 ASP HA H 38 5.259 5.259 5.091 0.168 19079 8403 1 12 . 1 1 38 38 ASP C C 38 176.122 176.122 174.961 1.161 19079 8404 1 12 . 1 1 38 38 ASP CA C 38 52.316 52.316 51.876 0.440 19079 8405 1 12 . 1 1 38 38 ASP CB C 38 43.251 43.251 45.284 -2.033 19079 8406 1 12 . 1 1 38 38 ASP H H 38 9.226 9.226 8.446 0.780 19079 8407 1 12 . 1 1 39 39 GLY N N 39 107.273 107.273 106.410 0.863 19079 8408 1 12 . 1 1 39 39 GLY C C 39 171.808 171.808 173.062 -1.254 19079 8409 1 12 . 1 1 39 39 GLY CA C 39 45.108 45.108 44.659 0.449 19079 8410 1 12 . 1 1 39 39 GLY H H 39 8.682 8.682 8.544 0.138 19079 8411 1 12 . 1 1 40 40 CYS N N 40 114.602 114.602 119.022 -4.420 19079 8412 1 12 . 1 1 40 40 CYS HA H 40 4.832 4.832 4.556 0.276 19079 8413 1 12 . 1 1 40 40 CYS CA C 40 55.517 55.517 58.748 -3.231 19079 8414 1 12 . 1 1 40 40 CYS CB C 40 30.872 30.872 30.829 0.043 19079 8415 1 12 . 1 1 40 40 CYS H H 40 7.784 7.784 8.188 -0.404 19079 8416 1 12 . 1 1 41 41 ASP N N 41 121.388 121.388 122.785 -1.397 19079 8417 1 12 . 1 1 41 41 ASP HA H 41 4.618 4.618 4.716 -0.098 19079 8418 1 12 . 1 1 41 41 ASP CA C 41 54.808 54.808 53.730 1.078 19079 8419 1 12 . 1 1 41 41 ASP CB C 41 41.299 41.299 40.071 1.228 19079 8420 1 12 . 1 1 41 41 ASP H H 41 8.496 8.496 8.493 0.003 19079 8421 1 12 . 1 1 42 42 GLN N N 42 118.506 118.506 119.087 -0.581 19079 8422 1 12 . 1 1 42 42 GLN HA H 42 4.900 4.900 4.586 0.314 19079 8423 1 12 . 1 1 42 42 GLN CA C 42 52.529 52.529 52.413 0.116 19079 8424 1 12 . 1 1 42 42 GLN CB C 42 30.580 30.580 28.802 1.778 19079 8425 1 12 . 1 1 42 42 GLN H H 42 7.592 7.592 7.374 0.218 19079 8426 1 12 . 1 1 43 43 PRO HA H 43 4.438 4.438 4.526 -0.088 19079 8427 1 12 . 1 1 43 43 PRO CA C 43 63.283 63.283 62.919 0.364 19079 8428 1 12 . 1 1 43 43 PRO CB C 43 32.178 32.178 32.209 -0.031 19079 8429 1 12 . 1 1 44 44 GLY N N 44 109.062 109.062 111.717 -2.655 19079 8430 1 12 . 1 1 44 44 GLY CA C 44 45.265 45.265 43.688 1.577 19079 8431 1 12 . 1 1 44 44 GLY H H 44 8.249 8.249 8.102 0.147 19079 8432 1 12 . 1 1 45 45 PRO HA H 45 4.535 4.535 4.351 0.184 19079 8433 1 12 . 1 1 45 45 PRO CA C 45 63.511 63.511 63.238 0.273 19079 8434 1 12 . 1 1 45 45 PRO CB C 45 33.193 33.193 31.959 1.234 19079 8435 1 12 . 1 1 46 46 ASP N N 46 121.254 121.254 121.270 -0.016 19079 8436 1 12 . 1 1 46 46 ASP HA H 46 4.784 4.784 4.388 0.396 19079 8437 1 12 . 1 1 46 46 ASP C C 46 174.555 174.555 174.990 -0.435 19079 8438 1 12 . 1 1 46 46 ASP CA C 46 55.268 55.268 55.633 -0.365 19079 8439 1 12 . 1 1 46 46 ASP CB C 46 43.360 43.360 40.956 2.404 19079 8440 1 12 . 1 1 46 46 ASP H H 46 8.533 8.533 8.298 0.235 19079 8441 1 12 . 1 1 47 47 ASN N N 47 118.452 118.452 121.691 -3.239 19079 8442 1 12 . 1 1 47 47 ASN HA H 47 4.912 4.912 4.805 0.107 19079 8443 1 12 . 1 1 47 47 ASN C C 47 172.394 172.394 174.928 -2.534 19079 8444 1 12 . 1 1 47 47 ASN CA C 47 52.877 52.877 51.979 0.898 19079 8445 1 12 . 1 1 47 47 ASN CB C 47 42.185 42.185 40.558 1.627 19079 8446 1 12 . 1 1 47 47 ASN H H 47 8.668 8.668 8.172 0.496 19079 8447 1 12 . 1 1 48 48 ILE N N 48 126.910 126.910 126.163 0.747 19079 8448 1 12 . 1 1 48 48 ILE HA H 48 5.269 5.269 3.911 1.358 19079 8449 1 12 . 1 1 48 48 ILE CA C 48 57.457 57.457 61.118 -3.661 19079 8450 1 12 . 1 1 48 48 ILE CB C 48 39.411 39.411 37.195 2.216 19079 8451 1 12 . 1 1 48 48 ILE H H 48 8.377 8.377 8.315 0.062 19079 8452 1 12 . 1 1 49 49 PRO HA H 49 4.571 4.571 4.460 0.111 19079 8453 1 12 . 1 1 49 49 PRO CA C 49 62.019 62.019 62.523 -0.504 19079 8454 1 12 . 1 1 49 49 PRO CB C 49 34.068 34.068 32.539 1.529 19079 8455 1 12 . 1 1 50 50 ASP N N 50 117.512 117.512 118.616 -1.104 19079 8456 1 12 . 1 1 50 50 ASP HA H 50 4.847 4.847 4.757 0.090 19079 8457 1 12 . 1 1 50 50 ASP C C 50 175.105 175.105 174.794 0.311 19079 8458 1 12 . 1 1 50 50 ASP CA C 50 52.186 52.186 53.953 -1.766 19079 8459 1 12 . 1 1 50 50 ASP CB C 50 40.206 40.206 40.871 -0.665 19079 8460 1 12 . 1 1 50 50 ASP H H 50 7.928 7.928 8.561 -0.633 19079 8461 1 12 . 1 1 51 51 CYS N N 51 117.841 117.841 119.845 -2.004 19079 8462 1 12 . 1 1 51 51 CYS HA H 51 4.645 4.645 4.846 -0.201 19079 8463 1 12 . 1 1 51 51 CYS C C 51 173.952 173.952 173.755 0.197 19079 8464 1 12 . 1 1 51 51 CYS CA C 51 57.079 57.079 57.044 0.035 19079 8465 1 12 . 1 1 51 51 CYS CB C 51 31.834 31.834 29.834 2.000 19079 8466 1 12 . 1 1 51 51 CYS H H 51 6.998 6.998 7.850 -0.852 19079 8467 1 12 . 1 1 52 52 ASP N N 52 113.831 113.831 124.445 -10.614 19079 8468 1 12 . 1 1 52 52 ASP HA H 52 4.790 4.790 4.523 0.267 19079 8469 1 12 . 1 1 52 52 ASP C C 52 177.522 177.522 176.179 1.343 19079 8470 1 12 . 1 1 52 52 ASP CA C 52 52.266 52.266 54.064 -1.798 19079 8471 1 12 . 1 1 52 52 ASP CB C 52 41.108 41.108 41.155 -0.047 19079 8472 1 12 . 1 1 52 52 ASP H H 52 7.839 7.839 8.560 -0.721 19079 8473 1 12 . 1 1 53 53 CYS N N 53 120.924 120.924 118.342 2.582 19079 8474 1 12 . 1 1 53 53 CYS HA H 53 4.176 4.176 4.106 0.070 19079 8475 1 12 . 1 1 53 53 CYS C C 53 177.320 177.320 174.299 3.021 19079 8476 1 12 . 1 1 53 53 CYS CA C 53 62.456 62.456 60.298 2.158 19079 8477 1 12 . 1 1 53 53 CYS CB C 53 31.077 31.077 27.334 3.743 19079 8478 1 12 . 1 1 53 53 CYS H H 53 8.180 8.180 7.963 0.217 19079 8479 1 12 . 1 1 54 54 THR N N 54 108.381 108.381 111.173 -2.792 19079 8480 1 12 . 1 1 54 54 THR HA H 54 4.168 4.168 4.602 -0.434 19079 8481 1 12 . 1 1 54 54 THR C C 54 172.044 172.044 173.763 -1.719 19079 8482 1 12 . 1 1 54 54 THR CA C 54 60.645 60.645 63.505 -2.860 19079 8483 1 12 . 1 1 54 54 THR CB C 54 69.425 69.425 70.179 -0.754 19079 8484 1 12 . 1 1 54 54 THR H H 54 8.728 8.728 8.220 0.508 19079 8485 1 12 . 1 1 55 55 SER N N 55 114.465 114.465 119.586 -5.121 19079 8486 1 12 . 1 1 55 55 SER HA H 55 4.906 4.906 5.218 -0.312 19079 8487 1 12 . 1 1 55 55 SER C C 55 172.897 172.897 174.568 -1.671 19079 8488 1 12 . 1 1 55 55 SER CA C 55 56.279 56.279 56.966 -0.687 19079 8489 1 12 . 1 1 55 55 SER CB C 55 66.156 66.156 63.449 2.707 19079 8490 1 12 . 1 1 55 55 SER H H 55 7.433 7.433 7.862 -0.429 19079 8491 1 12 . 1 1 56 56 GLY N N 56 106.492 106.492 110.684 -4.192 19079 8492 1 12 . 1 1 56 56 GLY C C 56 172.400 172.400 172.709 -0.309 19079 8493 1 12 . 1 1 56 56 GLY CA C 56 46.778 46.778 44.078 2.700 19079 8494 1 12 . 1 1 56 56 GLY H H 56 8.431 8.431 8.419 0.012 19079 8495 1 12 . 1 1 57 57 CYS N N 57 123.907 123.907 117.824 6.083 19079 8496 1 12 . 1 1 57 57 CYS HA H 57 5.755 5.755 5.714 0.041 19079 8497 1 12 . 1 1 57 57 CYS C C 57 171.012 171.012 172.966 -1.954 19079 8498 1 12 . 1 1 57 57 CYS CA C 57 54.317 54.317 56.879 -2.562 19079 8499 1 12 . 1 1 57 57 CYS CB C 57 32.040 32.040 30.510 1.530 19079 8500 1 12 . 1 1 57 57 CYS H H 57 9.782 9.782 8.660 1.122 19079 8501 1 12 . 1 1 58 58 TYR N N 58 121.251 121.251 121.734 -0.483 19079 8502 1 12 . 1 1 58 58 TYR HA H 58 6.413 6.413 5.667 0.746 19079 8503 1 12 . 1 1 58 58 TYR C C 58 172.177 172.177 173.438 -1.261 19079 8504 1 12 . 1 1 58 58 TYR CA C 58 54.179 54.179 54.440 -0.261 19079 8505 1 12 . 1 1 58 58 TYR CB C 58 44.751 44.751 41.550 3.201 19079 8506 1 12 . 1 1 58 58 TYR H H 58 9.324 9.324 9.028 0.296 19079 8507 1 12 . 1 1 59 59 TYR N N 59 119.921 119.921 124.499 -4.578 19079 8508 1 12 . 1 1 59 59 TYR HA H 59 3.155 3.155 3.497 -0.342 19079 8509 1 12 . 1 1 59 59 TYR C C 59 173.490 173.490 174.394 -0.904 19079 8510 1 12 . 1 1 59 59 TYR CA C 59 56.439 56.439 57.369 -0.930 19079 8511 1 12 . 1 1 59 59 TYR CB C 59 38.280 38.280 37.377 0.903 19079 8512 1 12 . 1 1 59 59 TYR H H 59 7.851 7.851 7.699 0.152 19079 8513 1 12 . 1 1 60 60 SER N N 60 122.333 122.333 122.451 -0.118 19079 8514 1 12 . 1 1 60 60 SER HA H 60 4.286 4.286 4.179 0.107 19079 8515 1 12 . 1 1 60 60 SER C C 60 174.282 174.282 175.110 -0.828 19079 8516 1 12 . 1 1 60 60 SER CA C 60 54.201 54.201 56.758 -2.557 19079 8517 1 12 . 1 1 60 60 SER CB C 60 63.429 63.429 62.981 0.448 19079 8518 1 12 . 1 1 60 60 SER H H 60 7.184 7.184 7.882 -0.698 19079 8519 1 12 . 1 1 61 61 ARG N N 61 131.876 131.876 129.065 2.811 19079 8520 1 12 . 1 1 61 61 ARG HA H 61 3.755 3.755 4.002 -0.247 19079 8521 1 12 . 1 1 61 61 ARG C C 61 179.454 179.454 177.260 2.194 19079 8522 1 12 . 1 1 61 61 ARG CA C 61 58.733 58.733 58.849 -0.116 19079 8523 1 12 . 1 1 61 61 ARG CB C 61 29.216 29.216 30.249 -1.033 19079 8524 1 12 . 1 1 61 61 ARG H H 61 9.058 9.058 8.398 0.660 19079 8525 1 12 . 1 1 62 62 SER N N 62 115.806 115.806 113.645 2.161 19079 8526 1 12 . 1 1 62 62 SER HA H 62 4.021 4.021 4.294 -0.273 19079 8527 1 12 . 1 1 62 62 SER C C 62 177.405 177.405 175.650 1.755 19079 8528 1 12 . 1 1 62 62 SER CA C 62 60.787 60.787 60.802 -0.015 19079 8529 1 12 . 1 1 62 62 SER CB C 62 60.994 60.994 63.252 -2.258 19079 8530 1 12 . 1 1 62 62 SER H H 62 8.933 8.933 8.189 0.744 19079 8531 1 12 . 1 1 63 63 LEU N N 63 120.142 120.142 120.537 -0.395 19079 8532 1 12 . 1 1 63 63 LEU HA H 63 4.315 4.315 4.378 -0.063 19079 8533 1 12 . 1 1 63 63 LEU C C 63 175.462 175.462 176.547 -1.085 19079 8534 1 12 . 1 1 63 63 LEU CA C 63 54.589 54.589 54.209 0.380 19079 8535 1 12 . 1 1 63 63 LEU CB C 63 41.583 41.583 41.324 0.259 19079 8536 1 12 . 1 1 63 63 LEU H H 63 7.372 7.372 7.345 0.027 19079 8537 1 12 . 1 1 64 64 ASP N N 64 124.723 124.723 117.580 7.143 19079 8538 1 12 . 1 1 64 64 ASP HA H 64 4.308 4.308 4.089 0.219 19079 8539 1 12 . 1 1 64 64 ASP C C 64 174.405 174.405 174.477 -0.072 19079 8540 1 12 . 1 1 64 64 ASP CA C 64 54.269 54.269 55.162 -0.893 19079 8541 1 12 . 1 1 64 64 ASP CB C 64 39.892 39.892 40.086 -0.194 19079 8542 1 12 . 1 1 64 64 ASP H H 64 8.122 8.122 7.624 0.498 19079 8543 1 12 . 1 1 65 65 ARG N N 65 111.932 111.932 113.005 -1.073 19079 8544 1 12 . 1 1 65 65 ARG HA H 65 4.648 4.648 4.207 0.441 19079 8545 1 12 . 1 1 65 65 ARG C C 65 172.842 172.842 173.907 -1.065 19079 8546 1 12 . 1 1 65 65 ARG CA C 65 54.327 54.327 54.570 -0.243 19079 8547 1 12 . 1 1 65 65 ARG CB C 65 33.013 33.013 31.378 1.635 19079 8548 1 12 . 1 1 65 65 ARG H H 65 7.434 7.434 7.289 0.145 19079 8549 1 12 . 1 1 66 66 TYR N N 66 121.286 121.286 121.711 -0.425 19079 8550 1 12 . 1 1 66 66 TYR HA H 66 4.821 4.821 4.652 0.169 19079 8551 1 12 . 1 1 66 66 TYR C C 66 176.123 176.123 176.356 -0.233 19079 8552 1 12 . 1 1 66 66 TYR CA C 66 56.752 56.752 59.240 -2.488 19079 8553 1 12 . 1 1 66 66 TYR CB C 66 41.877 41.877 39.133 2.744 19079 8554 1 12 . 1 1 66 66 TYR H H 66 8.068 8.068 8.506 -0.438 19079 8555 1 12 . 1 1 67 67 ILE N N 67 119.080 119.080 119.775 -0.695 19079 8556 1 12 . 1 1 67 67 ILE HA H 67 4.620 4.620 4.826 -0.206 19079 8557 1 12 . 1 1 67 67 ILE CA C 67 57.840 57.840 57.176 0.664 19079 8558 1 12 . 1 1 67 67 ILE CB C 67 41.191 41.191 41.398 -0.207 19079 8559 1 12 . 1 1 67 67 ILE H H 67 8.640 8.640 8.621 0.019 19079 8560 1 12 . 1 1 68 68 PRO HA H 68 4.772 4.772 4.951 -0.179 19079 8561 1 12 . 1 1 68 68 PRO CA C 68 62.709 62.709 62.637 0.072 19079 8562 1 12 . 1 1 68 68 PRO CB C 68 32.923 32.923 31.498 1.425 19079 8563 1 12 . 1 1 69 69 VAL N N 69 120.668 120.668 116.496 4.172 19079 8564 1 12 . 1 1 69 69 VAL HA H 69 4.764 4.764 4.601 0.163 19079 8565 1 12 . 1 1 69 69 VAL C C 69 171.299 171.299 173.925 -2.626 19079 8566 1 12 . 1 1 69 69 VAL CA C 69 60.758 60.758 59.423 1.335 19079 8567 1 12 . 1 1 69 69 VAL CB C 69 36.158 36.158 35.613 0.545 19079 8568 1 12 . 1 1 69 69 VAL H H 69 8.866 8.866 8.762 0.104 19079 8569 1 12 . 1 1 70 70 GLU N N 70 127.352 127.352 121.185 6.167 19079 8570 1 12 . 1 1 70 70 GLU HA H 70 4.694 4.694 5.038 -0.344 19079 8571 1 12 . 1 1 70 70 GLU C C 70 176.084 176.084 175.724 0.360 19079 8572 1 12 . 1 1 70 70 GLU CA C 70 55.438 55.438 55.407 0.030 19079 8573 1 12 . 1 1 70 70 GLU CB C 70 31.941 31.941 31.435 0.506 19079 8574 1 12 . 1 1 70 70 GLU H H 70 8.303 8.303 8.569 -0.266 19079 8575 1 12 . 1 1 71 71 CYS N N 71 118.985 118.985 123.038 -4.053 19079 8576 1 12 . 1 1 71 71 CYS HA H 71 5.283 5.283 5.251 0.032 19079 8577 1 12 . 1 1 71 71 CYS C C 71 173.987 173.987 173.227 0.760 19079 8578 1 12 . 1 1 71 71 CYS CA C 71 56.927 56.927 55.761 1.166 19079 8579 1 12 . 1 1 71 71 CYS CB C 71 32.056 32.056 32.193 -0.137 19079 8580 1 12 . 1 1 71 71 CYS H H 71 8.044 8.044 9.194 -1.150 19079 8581 1 12 . 1 1 72 72 GLU N N 72 119.188 119.188 118.529 0.659 19079 8582 1 12 . 1 1 72 72 GLU HA H 72 4.550 4.550 4.583 -0.033 19079 8583 1 12 . 1 1 72 72 GLU C C 72 175.540 175.540 174.714 0.826 19079 8584 1 12 . 1 1 72 72 GLU CA C 72 54.422 54.422 53.986 0.436 19079 8585 1 12 . 1 1 72 72 GLU CB C 72 32.723 32.723 31.863 0.860 19079 8586 1 12 . 1 1 72 72 GLU H H 72 8.651 8.651 8.778 -0.127 19079 8587 1 12 . 1 1 73 73 ALA N N 73 128.127 128.127 126.616 1.511 19079 8588 1 12 . 1 1 73 73 ALA HA H 73 4.894 4.894 4.719 0.175 19079 8589 1 12 . 1 1 73 73 ALA C C 73 177.065 177.065 176.694 0.371 19079 8590 1 12 . 1 1 73 73 ALA CA C 73 51.934 51.934 51.144 0.790 19079 8591 1 12 . 1 1 73 73 ALA CB C 73 19.744 19.744 19.878 -0.135 19079 8592 1 12 . 1 1 73 73 ALA H H 73 8.825 8.825 8.449 0.376 19079 8593 1 12 . 1 1 74 74 HIS N N 74 120.049 120.049 120.120 -0.071 19079 8594 1 12 . 1 1 74 74 HIS HA H 74 4.730 4.730 4.827 -0.097 19079 8595 1 12 . 1 1 74 74 HIS C C 74 173.973 173.973 175.417 -1.444 19079 8596 1 12 . 1 1 74 74 HIS CA C 74 54.940 54.940 54.153 0.787 19079 8597 1 12 . 1 1 74 74 HIS CB C 74 32.641 32.641 31.128 1.513 19079 8598 1 12 . 1 1 74 74 HIS H H 74 8.813 8.813 8.287 0.526 19079 8599 1 12 . 1 1 75 75 ASP N N 75 125.469 125.469 122.708 2.761 19079 8600 1 12 . 1 1 75 75 ASP HA H 75 4.619 4.619 4.473 0.146 19079 8601 1 12 . 1 1 75 75 ASP CA C 75 57.576 57.576 58.663 -1.087 19079 8602 1 12 . 1 1 75 75 ASP CB C 75 42.215 42.215 41.235 0.980 19079 8603 1 12 . 1 1 75 75 ASP H H 75 8.951 8.951 8.874 0.077 19079 8604 1 12 . 1 1 76 76 TRP N N 76 113.768 113.768 113.967 -0.199 19079 8605 1 12 . 1 1 76 76 TRP HA H 76 5.455 5.455 5.390 0.065 19079 8606 1 12 . 1 1 76 76 TRP CA C 76 54.833 54.833 56.120 -1.286 19079 8607 1 12 . 1 1 76 76 TRP CB C 76 31.701 31.701 31.115 0.586 19079 8608 1 12 . 1 1 76 76 TRP H H 76 7.574 7.574 7.067 0.507 19079 8609 1 12 . 1 1 77 77 TYR N N 77 122.650 122.650 121.492 1.158 19079 8610 1 12 . 1 1 77 77 TYR CA C 77 57.248 57.248 55.218 2.030 19079 8611 1 12 . 1 1 77 77 TYR CB C 77 33.700 33.700 41.470 -7.770 19079 8612 1 12 . 1 1 77 77 TYR H H 77 8.981 8.981 8.289 0.692 19079 8613 1 12 . 1 1 78 78 PRO HA H 78 4.493 4.493 4.785 -0.292 19079 8614 1 12 . 1 1 78 78 PRO CA C 78 62.242 62.242 62.806 -0.564 19079 8615 1 12 . 1 1 78 78 PRO CB C 78 31.237 31.237 32.035 -0.798 19079 8616 1 12 . 1 1 79 79 VAL N N 79 123.871 123.871 125.359 -1.488 19079 8617 1 12 . 1 1 79 79 VAL HA H 79 3.953 3.953 4.487 -0.534 19079 8618 1 12 . 1 1 79 79 VAL C C 79 174.991 174.991 174.303 0.688 19079 8619 1 12 . 1 1 79 79 VAL CA C 79 61.545 61.545 59.328 2.217 19079 8620 1 12 . 1 1 79 79 VAL CB C 79 33.090 33.090 34.470 -1.380 19079 8621 1 12 . 1 1 79 79 VAL H H 79 8.512 8.512 9.018 -0.506 19079 8622 1 12 . 1 1 80 80 GLU N N 80 124.050 124.050 128.408 -4.358 19079 8623 1 12 . 1 1 80 80 GLU HA H 80 4.072 4.072 4.164 -0.092 19079 8624 1 12 . 1 1 80 80 GLU C C 80 175.607 175.607 175.825 -0.218 19079 8625 1 12 . 1 1 80 80 GLU CA C 80 56.291 56.291 56.340 -0.049 19079 8626 1 12 . 1 1 80 80 GLU CB C 80 30.272 30.272 29.917 0.355 19079 8627 1 12 . 1 1 80 80 GLU H H 80 8.068 8.068 8.659 -0.591 19079 8628 1 12 . 1 1 81 81 GLU N N 81 120.701 120.701 123.011 -2.310 19079 8629 1 12 . 1 1 81 81 GLU HA H 81 4.194 4.194 4.278 -0.084 19079 8630 1 12 . 1 1 81 81 GLU C C 81 175.817 175.817 176.486 -0.669 19079 8631 1 12 . 1 1 81 81 GLU CA C 81 57.390 57.390 57.409 -0.019 19079 8632 1 12 . 1 1 81 81 GLU CB C 81 30.713 30.713 30.091 0.622 19079 8633 1 12 . 1 1 81 81 GLU H H 81 8.751 8.751 8.720 0.031 19079 8634 1 12 . 1 1 82 82 THR N N 82 115.162 115.162 117.039 -1.877 19079 8635 1 12 . 1 1 82 82 THR HA H 82 4.688 4.688 4.378 0.309 19079 8636 1 12 . 1 1 82 82 THR CA C 82 60.041 60.041 60.394 -0.353 19079 8637 1 12 . 1 1 82 82 THR CB C 82 73.866 73.866 69.558 4.308 19079 8638 1 12 . 1 1 82 82 THR H H 82 8.631 8.631 8.410 0.221 19079 8639 1 12 . 1 1 83 83 GLN N N 83 116.650 116.650 119.547 -2.897 19079 8640 1 12 . 1 1 83 83 GLN HA H 83 4.629 4.629 4.012 0.617 19079 8641 1 12 . 1 1 83 83 GLN CA C 83 57.643 57.643 58.287 -0.644 19079 8642 1 12 . 1 1 83 83 GLN CB C 83 30.537 30.537 28.315 2.222 19079 8643 1 12 . 1 1 83 83 GLN H H 83 8.714 8.714 8.522 0.192 19079 8644 1 12 . 1 1 86 86 PRO HA H 86 4.779 4.779 4.446 0.333 19079 8645 1 12 . 1 1 86 86 PRO CA C 86 62.018 62.018 62.667 -0.649 19079 8646 1 12 . 1 1 86 86 PRO CB C 86 32.818 32.818 33.098 -0.280 19079 8647 1 12 . 1 1 87 87 LYS N N 87 123.136 123.136 120.643 2.493 19079 8648 1 12 . 1 1 87 87 LYS HA H 87 4.545 4.545 4.564 -0.019 19079 8649 1 12 . 1 1 87 87 LYS C C 87 176.411 176.411 176.474 -0.063 19079 8650 1 12 . 1 1 87 87 LYS CA C 87 57.800 57.800 56.587 1.213 19079 8651 1 12 . 1 1 87 87 LYS CB C 87 32.322 32.322 32.777 -0.455 19079 8652 1 12 . 1 1 87 87 LYS H H 87 8.936 8.936 8.444 0.492 19079 8653 1 12 . 1 1 88 88 HIS N N 88 119.788 119.788 122.168 -2.380 19079 8654 1 12 . 1 1 88 88 HIS HA H 88 4.973 4.973 4.594 0.379 19079 8655 1 12 . 1 1 88 88 HIS C C 88 171.431 171.431 173.093 -1.662 19079 8656 1 12 . 1 1 88 88 HIS CA C 88 55.171 55.171 56.042 -0.871 19079 8657 1 12 . 1 1 88 88 HIS CB C 88 29.695 29.695 33.715 -4.020 19079 8658 1 12 . 1 1 88 88 HIS H H 88 8.490 8.490 8.518 -0.028 19079 8659 1 12 . 1 1 89 89 ILE N N 89 120.371 120.371 120.964 -0.593 19079 8660 1 12 . 1 1 89 89 ILE HA H 89 4.453 4.453 4.706 -0.253 19079 8661 1 12 . 1 1 89 89 ILE C C 89 176.167 176.167 175.116 1.051 19079 8662 1 12 . 1 1 89 89 ILE CA C 89 60.066 60.066 59.483 0.583 19079 8663 1 12 . 1 1 89 89 ILE CB C 89 38.855 38.855 37.968 0.888 19079 8664 1 12 . 1 1 89 89 ILE H H 89 8.417 8.417 8.669 -0.252 19079 8665 1 12 . 1 1 90 90 GLN N N 90 122.913 122.913 125.896 -2.983 19079 8666 1 12 . 1 1 90 90 GLN HA H 90 5.313 5.313 4.189 1.124 19079 8667 1 12 . 1 1 90 90 GLN CA C 90 54.194 54.194 53.223 0.971 19079 8668 1 12 . 1 1 90 90 GLN CB C 90 32.780 32.780 32.577 0.203 19079 8669 1 12 . 1 1 90 90 GLN H H 90 8.286 8.286 8.329 -0.043 19079 8670 1 12 . 1 1 91 91 TYR N N 91 117.779 117.779 116.486 1.293 19079 8671 1 12 . 1 1 91 91 TYR HA H 91 5.394 5.394 5.232 0.162 19079 8672 1 12 . 1 1 91 91 TYR C C 91 175.762 175.762 175.578 0.184 19079 8673 1 12 . 1 1 91 91 TYR CA C 91 56.672 56.672 55.962 0.710 19079 8674 1 12 . 1 1 91 91 TYR CB C 91 41.701 41.701 41.444 0.257 19079 8675 1 12 . 1 1 91 91 TYR H H 91 8.086 8.086 8.346 -0.260 19079 8676 1 12 . 1 1 92 92 ASN N N 92 113.182 113.182 116.673 -3.491 19079 8677 1 12 . 1 1 92 92 ASN HA H 92 4.558 4.558 4.436 0.122 19079 8678 1 12 . 1 1 92 92 ASN C C 92 172.369 172.369 173.824 -1.455 19079 8679 1 12 . 1 1 92 92 ASN CA C 92 55.522 55.522 54.509 1.013 19079 8680 1 12 . 1 1 92 92 ASN CB C 92 37.732 37.732 36.541 1.191 19079 8681 1 12 . 1 1 92 92 ASN H H 92 8.529 8.529 8.767 -0.238 19079 8682 1 12 . 1 1 93 93 LEU N N 93 117.359 117.359 118.322 -0.963 19079 8683 1 12 . 1 1 93 93 LEU HA H 93 5.455 5.455 5.679 -0.224 19079 8684 1 12 . 1 1 93 93 LEU C C 93 177.709 177.709 175.404 2.305 19079 8685 1 12 . 1 1 93 93 LEU CA C 93 54.341 54.341 53.456 0.885 19079 8686 1 12 . 1 1 93 93 LEU CB C 93 47.006 47.006 46.776 0.230 19079 8687 1 12 . 1 1 93 93 LEU H H 93 7.846 7.846 7.926 -0.080 19079 8688 1 12 . 1 1 94 94 LEU N N 94 123.298 123.298 121.200 2.098 19079 8689 1 12 . 1 1 94 94 LEU HA H 94 5.014 5.014 4.804 0.210 19079 8690 1 12 . 1 1 94 94 LEU C C 94 175.771 175.771 175.935 -0.164 19079 8691 1 12 . 1 1 94 94 LEU CA C 94 53.889 53.889 54.339 -0.450 19079 8692 1 12 . 1 1 94 94 LEU CB C 94 44.784 44.784 44.819 -0.035 19079 8693 1 12 . 1 1 94 94 LEU H H 94 9.155 9.155 8.608 0.547 19079 8694 1 12 . 1 1 95 95 ILE N N 95 121.585 121.585 124.582 -2.997 19079 8695 1 12 . 1 1 95 95 ILE HA H 95 5.166 5.166 4.881 0.285 19079 8696 1 12 . 1 1 95 95 ILE C C 95 175.885 175.885 175.855 0.030 19079 8697 1 12 . 1 1 95 95 ILE CA C 95 59.795 59.795 59.259 0.536 19079 8698 1 12 . 1 1 95 95 ILE CB C 95 39.820 39.820 38.725 1.095 19079 8699 1 12 . 1 1 95 95 ILE H H 95 8.920 8.920 8.074 0.846 19079 8700 1 12 . 1 1 96 96 GLY N N 96 115.891 115.891 115.431 0.460 19079 8701 1 12 . 1 1 96 96 GLY C C 96 171.937 171.937 172.158 -0.221 19079 8702 1 12 . 1 1 96 96 GLY CA C 96 44.865 44.865 44.271 0.594 19079 8703 1 12 . 1 1 96 96 GLY H H 96 9.223 9.223 8.918 0.305 19079 8704 1 12 . 1 1 97 97 GLU N N 97 119.340 119.340 122.240 -2.900 19079 8705 1 12 . 1 1 97 97 GLU HA H 97 4.831 4.831 4.936 -0.105 19079 8706 1 12 . 1 1 97 97 GLU C C 97 175.567 175.567 175.670 -0.103 19079 8707 1 12 . 1 1 97 97 GLU CA C 97 55.736 55.736 54.546 1.190 19079 8708 1 12 . 1 1 97 97 GLU CB C 97 31.009 31.009 31.484 -0.475 19079 8709 1 12 . 1 1 97 97 GLU H H 97 8.197 8.197 8.005 0.192 19079 8710 1 12 . 1 1 98 98 GLY N N 98 113.912 113.912 111.730 2.182 19079 8711 1 12 . 1 1 98 98 GLY CA C 98 45.089 45.089 43.172 1.917 19079 8712 1 12 . 1 1 98 98 GLY H H 98 7.767 7.767 8.002 -0.235 19079 8713 1 12 . 1 1 99 99 PRO HA H 99 4.347 4.347 4.354 -0.007 19079 8714 1 12 . 1 1 99 99 PRO CA C 99 62.396 62.396 63.111 -0.715 19079 8715 1 12 . 1 1 99 99 PRO CB C 99 32.558 32.558 31.845 0.713 19079 8716 1 12 . 1 1 100 100 CYS N N 100 122.972 122.972 118.071 4.901 19079 8717 1 12 . 1 1 100 100 CYS HA H 100 4.567 4.567 4.094 0.473 19079 8718 1 12 . 1 1 100 100 CYS C C 100 172.077 172.077 173.813 -1.736 19079 8719 1 12 . 1 1 100 100 CYS CA C 100 60.097 60.097 58.972 1.125 19079 8720 1 12 . 1 1 100 100 CYS CB C 100 28.063 28.063 26.658 1.405 19079 8721 1 12 . 1 1 100 100 CYS H H 100 8.219 8.219 8.148 0.071 19079 8722 1 12 . 1 1 101 101 VAL N N 101 123.973 123.973 122.121 1.852 19079 8723 1 12 . 1 1 101 101 VAL HA H 101 4.888 4.888 4.592 0.296 19079 8724 1 12 . 1 1 101 101 VAL CA C 101 58.947 58.947 59.993 -1.046 19079 8725 1 12 . 1 1 101 101 VAL CB C 101 32.322 32.322 31.946 0.376 19079 8726 1 12 . 1 1 101 101 VAL H H 101 8.662 8.662 8.027 0.635 19079 8727 1 12 . 1 1 103 103 GLY C C 103 175.333 175.333 175.235 0.098 19079 8728 1 12 . 1 1 103 103 GLY CA C 103 45.683 45.683 45.085 0.598 19079 8729 1 12 . 1 1 104 104 ASP N N 104 121.740 121.740 122.845 -1.105 19079 8730 1 12 . 1 1 104 104 ASP HA H 104 4.836 4.836 4.498 0.338 19079 8731 1 12 . 1 1 104 104 ASP C C 104 176.601 176.601 175.842 0.759 19079 8732 1 12 . 1 1 104 104 ASP CA C 104 54.700 54.700 55.829 -1.129 19079 8733 1 12 . 1 1 104 104 ASP CB C 104 41.322 41.322 41.074 0.248 19079 8734 1 12 . 1 1 104 104 ASP H H 104 8.217 8.217 8.123 0.094 19079 8735 1 12 . 1 1 105 105 ALA N N 105 121.750 121.750 119.855 1.895 19079 8736 1 12 . 1 1 105 105 ALA HA H 105 3.707 3.707 4.153 -0.446 19079 8737 1 12 . 1 1 105 105 ALA C C 105 175.218 175.218 177.635 -2.417 19079 8738 1 12 . 1 1 105 105 ALA CA C 105 54.002 54.002 53.683 0.319 19079 8739 1 12 . 1 1 105 105 ALA CB C 105 18.021 18.021 17.807 0.214 19079 8740 1 12 . 1 1 105 105 ALA H H 105 7.672 7.672 8.197 -0.525 19079 8741 1 12 . 1 1 106 106 GLY N N 106 110.675 110.675 111.390 -0.715 19079 8742 1 12 . 1 1 106 106 GLY C C 106 174.112 174.112 174.569 -0.457 19079 8743 1 12 . 1 1 106 106 GLY CA C 106 45.354 45.354 44.597 0.757 19079 8744 1 12 . 1 1 106 106 GLY H H 106 8.781 8.781 7.974 0.807 19079 8745 1 12 . 1 1 107 107 GLY N N 107 104.052 104.052 110.178 -6.126 19079 8746 1 12 . 1 1 107 107 GLY C C 107 173.970 173.970 173.910 0.060 19079 8747 1 12 . 1 1 107 107 GLY CA C 107 46.405 46.405 45.265 1.140 19079 8748 1 12 . 1 1 107 107 GLY H H 107 7.727 7.727 8.241 -0.514 19079 8749 1 12 . 1 1 108 108 LYS N N 108 122.212 122.212 125.731 -3.519 19079 8750 1 12 . 1 1 108 108 LYS HA H 108 4.442 4.442 4.239 0.203 19079 8751 1 12 . 1 1 108 108 LYS C C 108 175.056 175.056 175.723 -0.667 19079 8752 1 12 . 1 1 108 108 LYS CA C 108 58.497 58.497 56.816 1.681 19079 8753 1 12 . 1 1 108 108 LYS CB C 108 36.053 36.053 33.654 2.399 19079 8754 1 12 . 1 1 108 108 LYS H H 108 8.553 8.553 8.356 0.197 19079 8755 1 12 . 1 1 109 109 LEU N N 109 119.300 119.300 127.941 -8.641 19079 8756 1 12 . 1 1 109 109 LEU HA H 109 4.881 4.881 5.327 -0.446 19079 8757 1 12 . 1 1 109 109 LEU C C 109 175.017 175.017 174.535 0.482 19079 8758 1 12 . 1 1 109 109 LEU CA C 109 53.372 53.372 53.738 -0.366 19079 8759 1 12 . 1 1 109 109 LEU CB C 109 43.275 43.275 44.037 -0.762 19079 8760 1 12 . 1 1 109 109 LEU H H 109 8.065 8.065 8.876 -0.811 19079 8761 1 12 . 1 1 110 110 LEU N N 110 126.757 126.757 127.203 -0.446 19079 8762 1 12 . 1 1 110 110 LEU HA H 110 5.498 5.498 5.055 0.443 19079 8763 1 12 . 1 1 110 110 LEU C C 110 176.125 176.125 175.817 0.308 19079 8764 1 12 . 1 1 110 110 LEU CA C 110 55.318 55.318 53.749 1.569 19079 8765 1 12 . 1 1 110 110 LEU CB C 110 44.799 44.799 44.947 -0.148 19079 8766 1 12 . 1 1 110 110 LEU H H 110 9.450 9.450 9.119 0.331 19079 8767 1 12 . 1 1 111 111 CYS N N 111 118.897 118.897 120.537 -1.640 19079 8768 1 12 . 1 1 111 111 CYS HA H 111 5.254 5.254 4.836 0.418 19079 8769 1 12 . 1 1 111 111 CYS C C 111 177.063 177.063 175.778 1.285 19079 8770 1 12 . 1 1 111 111 CYS CA C 111 57.201 57.201 56.399 0.802 19079 8771 1 12 . 1 1 111 111 CYS CB C 111 32.532 32.532 30.981 1.551 19079 8772 1 12 . 1 1 111 111 CYS H H 111 8.575 8.575 8.735 -0.160 19079 8773 1 12 . 1 1 112 112 ARG N N 112 116.382 116.382 120.032 -3.650 19079 8774 1 12 . 1 1 112 112 ARG HA H 112 3.918 3.918 3.896 0.022 19079 8775 1 12 . 1 1 112 112 ARG C C 112 176.892 176.892 177.618 -0.726 19079 8776 1 12 . 1 1 112 112 ARG CA C 112 59.714 59.714 58.578 1.136 19079 8777 1 12 . 1 1 112 112 ARG CB C 112 29.874 29.874 29.270 0.604 19079 8778 1 12 . 1 1 112 112 ARG H H 112 8.350 8.350 8.651 -0.301 19079 8779 1 12 . 1 1 113 113 HIS N N 113 121.579 121.579 114.517 7.062 19079 8780 1 12 . 1 1 113 113 HIS HA H 113 4.480 4.480 4.667 -0.187 19079 8781 1 12 . 1 1 113 113 HIS C C 113 175.439 175.439 175.750 -0.311 19079 8782 1 12 . 1 1 113 113 HIS CA C 113 58.739 58.739 56.409 2.330 19079 8783 1 12 . 1 1 113 113 HIS CB C 113 31.050 31.050 30.652 0.398 19079 8784 1 12 . 1 1 113 113 HIS H H 113 10.445 10.445 7.192 3.253 19079 8785 1 12 . 1 1 114 114 GLY N N 114 108.273 108.273 104.795 3.478 19079 8786 1 12 . 1 1 114 114 GLY C C 114 169.307 169.307 172.897 -3.590 19079 8787 1 12 . 1 1 114 114 GLY CA C 114 45.413 45.413 44.855 0.558 19079 8788 1 12 . 1 1 114 114 GLY H H 114 7.689 7.689 7.396 0.293 19079 8789 1 12 . 1 1 115 115 VAL N N 115 120.998 120.998 121.471 -0.473 19079 8790 1 12 . 1 1 115 115 VAL HA H 115 4.476 4.476 4.108 0.368 19079 8791 1 12 . 1 1 115 115 VAL C C 115 173.881 173.881 176.270 -2.389 19079 8792 1 12 . 1 1 115 115 VAL CA C 115 62.513 62.513 64.882 -2.369 19079 8793 1 12 . 1 1 115 115 VAL CB C 115 32.113 32.113 31.439 0.674 19079 8794 1 12 . 1 1 115 115 VAL H H 115 8.455 8.455 8.500 -0.045 19079 8795 1 12 . 1 1 116 116 ILE N N 116 114.566 114.566 115.398 -0.832 19079 8796 1 12 . 1 1 116 116 ILE HA H 116 4.603 4.603 4.556 0.047 19079 8797 1 12 . 1 1 116 116 ILE C C 116 175.445 175.445 175.017 0.428 19079 8798 1 12 . 1 1 116 116 ILE CA C 116 61.470 61.470 60.202 1.268 19079 8799 1 12 . 1 1 116 116 ILE CB C 116 40.782 40.782 39.043 1.739 19079 8800 1 12 . 1 1 116 116 ILE H H 116 8.460 8.460 9.101 -0.641 19079 8801 1 12 . 1 1 117 117 GLY N N 117 106.195 106.195 108.329 -2.134 19079 8802 1 12 . 1 1 117 117 GLY C C 117 171.664 171.664 171.726 -0.062 19079 8803 1 12 . 1 1 117 117 GLY CA C 117 46.303 46.303 45.521 0.782 19079 8804 1 12 . 1 1 117 117 GLY H H 117 7.827 7.827 7.479 0.348 19079 8805 1 12 . 1 1 118 118 ILE N N 118 109.501 109.501 115.033 -5.532 19079 8806 1 12 . 1 1 118 118 ILE HA H 118 5.611 5.611 5.429 0.182 19079 8807 1 12 . 1 1 118 118 ILE C C 118 176.642 176.642 175.461 1.181 19079 8808 1 12 . 1 1 118 118 ILE CA C 118 58.787 58.787 57.618 1.169 19079 8809 1 12 . 1 1 118 118 ILE CB C 118 43.351 43.351 41.855 1.496 19079 8810 1 12 . 1 1 118 118 ILE H H 118 7.571 7.571 7.879 -0.308 19079 8811 1 12 . 1 1 119 119 ILE N N 119 124.258 124.258 120.390 3.868 19079 8812 1 12 . 1 1 119 119 ILE HA H 119 3.774 3.774 4.601 -0.827 19079 8813 1 12 . 1 1 119 119 ILE C C 119 177.447 177.447 176.433 1.014 19079 8814 1 12 . 1 1 119 119 ILE CA C 119 64.399 64.399 62.103 2.296 19079 8815 1 12 . 1 1 119 119 ILE CB C 119 39.393 39.393 37.173 2.220 19079 8816 1 12 . 1 1 119 119 ILE H H 119 9.465 9.465 8.242 1.223 19079 8817 1 12 . 1 1 120 120 THR N N 120 122.153 122.153 123.104 -0.951 19079 8818 1 12 . 1 1 120 120 THR HA H 120 4.670 4.670 4.389 0.281 19079 8819 1 12 . 1 1 120 120 THR C C 120 171.416 171.416 173.582 -2.166 19079 8820 1 12 . 1 1 120 120 THR CA C 120 61.440 61.440 61.398 0.042 19079 8821 1 12 . 1 1 120 120 THR CB C 120 70.455 70.455 70.059 0.396 19079 8822 1 12 . 1 1 120 120 THR H H 120 9.400 9.400 8.592 0.808 19079 8823 1 12 . 1 1 121 121 ALA N N 121 124.014 124.014 121.061 2.953 19079 8824 1 12 . 1 1 121 121 ALA HA H 121 4.583 4.583 4.699 -0.116 19079 8825 1 12 . 1 1 121 121 ALA C C 121 173.695 173.695 174.908 -1.213 19079 8826 1 12 . 1 1 121 121 ALA CA C 121 51.833 51.833 51.728 0.105 19079 8827 1 12 . 1 1 121 121 ALA CB C 121 22.523 22.523 21.843 0.680 19079 8828 1 12 . 1 1 121 121 ALA H H 121 7.885 7.885 7.376 0.509 19079 8829 1 12 . 1 1 122 122 GLY N N 122 103.252 103.252 107.269 -4.017 19079 8830 1 12 . 1 1 122 122 GLY C C 122 172.124 172.124 172.843 -0.719 19079 8831 1 12 . 1 1 122 122 GLY CA C 122 45.917 45.917 45.035 0.882 19079 8832 1 12 . 1 1 122 122 GLY H H 122 7.828 7.828 8.180 -0.352 19079 8833 1 12 . 1 1 123 123 GLY N N 123 107.688 107.688 107.799 -0.111 19079 8834 1 12 . 1 1 123 123 GLY C C 123 174.470 174.470 172.580 1.890 19079 8835 1 12 . 1 1 123 123 GLY CA C 123 45.051 45.051 44.919 0.132 19079 8836 1 12 . 1 1 123 123 GLY H H 123 8.285 8.285 9.019 -0.734 19079 8837 1 12 . 1 1 124 124 ASP N N 124 120.288 120.288 121.762 -1.474 19079 8838 1 12 . 1 1 124 124 ASP HA H 124 4.621 4.621 4.654 -0.033 19079 8839 1 12 . 1 1 124 124 ASP C C 124 176.061 176.061 177.099 -1.038 19079 8840 1 12 . 1 1 124 124 ASP CA C 124 55.465 55.465 54.750 0.715 19079 8841 1 12 . 1 1 124 124 ASP CB C 124 40.111 40.111 40.367 -0.256 19079 8842 1 12 . 1 1 124 124 ASP H H 124 9.054 9.054 8.412 0.642 19079 8843 1 12 . 1 1 125 125 GLY N N 125 105.482 105.482 111.462 -5.980 19079 8844 1 12 . 1 1 125 125 GLY C C 125 174.566 174.566 173.102 1.464 19079 8845 1 12 . 1 1 125 125 GLY CA C 125 45.493 45.493 45.718 -0.225 19079 8846 1 12 . 1 1 125 125 GLY H H 125 8.567 8.567 8.756 -0.189 19079 8847 1 12 . 1 1 126 126 HIS N N 126 117.677 117.677 116.912 0.765 19079 8848 1 12 . 1 1 126 126 HIS HA H 126 5.449 5.449 5.593 -0.144 19079 8849 1 12 . 1 1 126 126 HIS C C 126 172.058 172.058 173.141 -1.083 19079 8850 1 12 . 1 1 126 126 HIS CA C 126 54.653 54.653 54.748 -0.095 19079 8851 1 12 . 1 1 126 126 HIS CB C 126 31.709 31.709 33.706 -1.997 19079 8852 1 12 . 1 1 126 126 HIS H H 126 7.852 7.852 7.654 0.198 19079 8853 1 12 . 1 1 127 127 VAL N N 127 121.145 121.145 123.386 -2.241 19079 8854 1 12 . 1 1 127 127 VAL HA H 127 4.230 4.230 4.207 0.023 19079 8855 1 12 . 1 1 127 127 VAL C C 127 170.317 170.317 172.762 -2.445 19079 8856 1 12 . 1 1 127 127 VAL CA C 127 60.125 60.125 59.950 0.175 19079 8857 1 12 . 1 1 127 127 VAL CB C 127 34.681 34.681 35.189 -0.508 19079 8858 1 12 . 1 1 127 127 VAL H H 127 8.857 8.857 8.010 0.847 19079 8859 1 12 . 1 1 128 128 ALA N N 128 127.867 127.867 130.293 -2.426 19079 8860 1 12 . 1 1 128 128 ALA HA H 128 5.222 5.222 4.907 0.315 19079 8861 1 12 . 1 1 128 128 ALA C C 128 175.506 175.506 175.695 -0.189 19079 8862 1 12 . 1 1 128 128 ALA CA C 128 49.199 49.199 49.556 -0.356 19079 8863 1 12 . 1 1 128 128 ALA CB C 128 21.731 21.731 21.028 0.703 19079 8864 1 12 . 1 1 128 128 ALA H H 128 8.400 8.400 8.450 -0.050 19079 8865 1 12 . 1 1 129 129 PHE N N 129 121.202 121.202 119.918 1.284 19079 8866 1 12 . 1 1 129 129 PHE HA H 129 5.301 5.301 5.378 -0.077 19079 8867 1 12 . 1 1 129 129 PHE C C 129 176.082 176.082 176.038 0.044 19079 8868 1 12 . 1 1 129 129 PHE CA C 129 54.759 54.759 55.709 -0.951 19079 8869 1 12 . 1 1 129 129 PHE CB C 129 41.372 41.372 43.122 -1.750 19079 8870 1 12 . 1 1 129 129 PHE H H 129 9.689 9.689 8.566 1.123 19079 8871 1 12 . 1 1 130 130 THR N N 130 121.809 121.809 116.974 4.835 19079 8872 1 12 . 1 1 130 130 THR HA H 130 4.573 4.573 4.723 -0.150 19079 8873 1 12 . 1 1 130 130 THR C C 130 173.050 173.050 174.499 -1.449 19079 8874 1 12 . 1 1 130 130 THR CA C 130 63.487 63.487 61.492 1.995 19079 8875 1 12 . 1 1 130 130 THR CB C 130 70.852 70.852 69.515 1.337 19079 8876 1 12 . 1 1 130 130 THR H H 130 8.848 8.848 9.212 -0.364 19079 8877 1 12 . 1 1 131 131 ASP N N 131 128.382 128.382 127.391 0.991 19079 8878 1 12 . 1 1 131 131 ASP HA H 131 4.915 4.915 4.800 0.115 19079 8879 1 12 . 1 1 131 131 ASP C C 131 175.616 175.616 176.158 -0.542 19079 8880 1 12 . 1 1 131 131 ASP CA C 131 52.924 52.924 55.303 -2.379 19079 8881 1 12 . 1 1 131 131 ASP CB C 131 41.513 41.513 40.933 0.580 19079 8882 1 12 . 1 1 131 131 ASP H H 131 8.722 8.722 8.611 0.111 19079 8883 1 12 . 1 1 132 132 LEU N N 132 123.250 123.250 128.188 -4.938 19079 8884 1 12 . 1 1 132 132 LEU HA H 132 4.325 4.325 4.319 0.006 19079 8885 1 12 . 1 1 132 132 LEU C C 132 179.704 179.704 178.070 1.634 19079 8886 1 12 . 1 1 132 132 LEU CA C 132 55.286 55.286 56.421 -1.135 19079 8887 1 12 . 1 1 132 132 LEU CB C 132 42.640 42.640 42.368 0.272 19079 8888 1 12 . 1 1 132 132 LEU H H 132 8.788 8.788 7.951 0.837 19079 8889 1 12 . 1 1 133 133 ARG N N 133 119.561 119.561 117.523 2.038 19079 8890 1 12 . 1 1 133 133 ARG HA H 133 3.977 3.977 4.086 -0.109 19079 8891 1 12 . 1 1 133 133 ARG C C 133 177.476 177.476 175.436 2.040 19079 8892 1 12 . 1 1 133 133 ARG CA C 133 61.799 61.799 58.788 3.011 19079 8893 1 12 . 1 1 133 133 ARG CB C 133 27.601 27.601 26.836 0.765 19079 8894 1 12 . 1 1 133 133 ARG H H 133 8.961 8.961 7.970 0.991 19079 8895 1 12 . 1 1 134 134 PRO HA H 134 4.284 4.284 4.446 -0.162 19079 8896 1 12 . 1 1 134 134 PRO C C 134 175.695 175.695 175.482 0.213 19079 8897 1 12 . 1 1 134 134 PRO CA C 134 64.508 64.508 63.250 1.258 19079 8898 1 12 . 1 1 134 134 PRO CB C 134 31.008 31.008 29.610 1.398 19079 8899 1 12 . 1 1 135 135 TYR N N 135 114.745 114.745 121.083 -6.338 19079 8900 1 12 . 1 1 135 135 TYR HA H 135 4.420 4.420 4.607 -0.187 19079 8901 1 12 . 1 1 135 135 TYR C C 135 175.146 175.146 174.984 0.162 19079 8902 1 12 . 1 1 135 135 TYR CA C 135 57.322 57.322 59.213 -1.891 19079 8903 1 12 . 1 1 135 135 TYR CB C 135 39.549 39.549 40.528 -0.979 19079 8904 1 12 . 1 1 135 135 TYR H H 135 7.419 7.419 8.649 -1.230 19079 8905 1 12 . 1 1 136 136 ASN N N 136 119.088 119.088 119.418 -0.330 19079 8906 1 12 . 1 1 136 136 ASN HA H 136 4.622 4.622 5.087 -0.465 19079 8907 1 12 . 1 1 136 136 ASN C C 136 175.650 175.650 176.081 -0.431 19079 8908 1 12 . 1 1 136 136 ASN CA C 136 53.601 53.601 52.754 0.847 19079 8909 1 12 . 1 1 136 136 ASN CB C 136 38.741 38.741 40.027 -1.286 19079 8910 1 12 . 1 1 136 136 ASN H H 136 7.245 7.245 7.942 -0.697 19079 8911 1 12 . 1 1 137 137 ILE N N 137 126.031 126.031 122.572 3.459 19079 8912 1 12 . 1 1 137 137 ILE HA H 137 4.135 4.135 4.317 -0.182 19079 8913 1 12 . 1 1 137 137 ILE C C 137 175.636 175.636 176.577 -0.941 19079 8914 1 12 . 1 1 137 137 ILE CA C 137 61.215 61.215 60.178 1.036 19079 8915 1 12 . 1 1 137 137 ILE CB C 137 38.380 38.380 34.896 3.484 19079 8916 1 12 . 1 1 137 137 ILE H H 137 7.849 7.849 8.577 -0.728 19079 8917 1 12 . 1 1 138 138 LYS N N 138 125.271 125.271 122.051 3.220 19079 8918 1 12 . 1 1 138 138 LYS HA H 138 4.368 4.368 4.035 0.333 19079 8919 1 12 . 1 1 138 138 LYS C C 138 176.110 176.110 176.728 -0.618 19079 8920 1 12 . 1 1 138 138 LYS CA C 138 55.906 55.906 58.628 -2.722 19079 8921 1 12 . 1 1 138 138 LYS CB C 138 33.564 33.564 32.453 1.111 19079 8922 1 12 . 1 1 138 138 LYS H H 138 8.171 8.171 7.958 0.213 19079 8923 1 12 . 1 1 139 139 ALA N N 139 124.226 124.226 119.499 4.727 19079 8924 1 12 . 1 1 139 139 ALA HA H 139 4.384 4.384 4.349 0.035 19079 8925 1 12 . 1 1 139 139 ALA C C 139 177.788 177.788 176.097 1.691 19079 8926 1 12 . 1 1 139 139 ALA CA C 139 52.522 52.522 52.219 0.303 19079 8927 1 12 . 1 1 139 139 ALA CB C 139 19.531 19.531 19.575 -0.044 19079 8928 1 12 . 1 1 139 139 ALA H H 139 8.207 8.207 8.086 0.121 19079 8929 1 12 . 1 1 140 140 THR N N 140 112.869 112.869 114.228 -1.359 19079 8930 1 12 . 1 1 140 140 THR HA H 140 4.390 4.390 4.116 0.274 19079 8931 1 12 . 1 1 140 140 THR C C 140 174.522 174.522 173.739 0.783 19079 8932 1 12 . 1 1 140 140 THR CA C 140 61.685 61.685 62.772 -1.087 19079 8933 1 12 . 1 1 140 140 THR CB C 140 69.961 69.961 68.683 1.278 19079 8934 1 12 . 1 1 140 140 THR H H 140 8.094 8.094 7.960 0.134 19079 8935 1 12 . 1 1 141 141 SER N N 141 118.138 118.138 119.653 -1.515 19079 8936 1 12 . 1 1 141 141 SER HA H 141 4.500 4.500 4.622 -0.122 19079 8937 1 12 . 1 1 141 141 SER C C 141 173.503 173.503 174.680 -1.177 19079 8938 1 12 . 1 1 141 141 SER CA C 141 58.315 58.315 57.596 0.719 19079 8939 1 12 . 1 1 141 141 SER CB C 141 64.039 64.039 64.041 -0.002 19079 8940 1 12 . 1 1 141 141 SER H H 141 8.209 8.209 8.175 0.034 19079 8941 1 13 . 1 1 2 2 PRO HA H 2 4.360 4.360 4.594 -0.234 19079 8942 1 13 . 1 1 2 2 PRO C C 2 178.185 178.185 175.793 2.392 19079 8943 1 13 . 1 1 2 2 PRO CA C 2 65.722 65.722 62.770 2.952 19079 8944 1 13 . 1 1 2 2 PRO CB C 2 33.078 33.078 32.897 0.181 19079 8945 1 13 . 1 1 3 3 SER N N 3 112.403 112.403 118.061 -5.658 19079 8946 1 13 . 1 1 3 3 SER HA H 3 3.136 3.136 4.517 -1.381 19079 8947 1 13 . 1 1 3 3 SER C C 3 172.101 172.101 172.731 -0.630 19079 8948 1 13 . 1 1 3 3 SER CA C 3 57.421 57.421 57.979 -0.558 19079 8949 1 13 . 1 1 3 3 SER CB C 3 62.812 62.812 63.725 -0.913 19079 8950 1 13 . 1 1 3 3 SER H H 3 8.494 8.494 8.332 0.162 19079 8951 1 13 . 1 1 4 4 ASP N N 4 119.024 119.024 127.504 -8.480 19079 8952 1 13 . 1 1 4 4 ASP HA H 4 4.438 4.438 4.134 0.304 19079 8953 1 13 . 1 1 4 4 ASP C C 4 177.371 177.371 174.702 2.669 19079 8954 1 13 . 1 1 4 4 ASP CA C 4 54.800 54.800 53.926 0.874 19079 8955 1 13 . 1 1 4 4 ASP CB C 4 41.495 41.495 41.167 0.328 19079 8956 1 13 . 1 1 4 4 ASP H H 4 6.841 6.841 8.327 -1.486 19079 8957 1 13 . 1 1 5 5 LEU N N 5 129.426 129.426 121.118 8.308 19079 8958 1 13 . 1 1 5 5 LEU HA H 5 4.526 4.526 4.218 0.308 19079 8959 1 13 . 1 1 5 5 LEU C C 5 176.246 176.246 176.625 -0.379 19079 8960 1 13 . 1 1 5 5 LEU CA C 5 54.010 54.010 55.084 -1.074 19079 8961 1 13 . 1 1 5 5 LEU CB C 5 40.690 40.690 42.928 -2.238 19079 8962 1 13 . 1 1 5 5 LEU H H 5 8.781 8.781 7.758 1.023 19079 8963 1 13 . 1 1 6 6 PHE HA H 6 4.842 4.842 4.266 0.576 19079 8964 1 13 . 1 1 6 6 PHE C C 6 174.584 174.584 174.792 -0.208 19079 8965 1 13 . 1 1 6 6 PHE CA C 6 56.782 56.782 58.400 -1.617 19079 8966 1 13 . 1 1 6 6 PHE CB C 6 39.576 39.576 38.148 1.428 19079 8967 1 13 . 1 1 7 7 VAL N N 7 118.923 118.923 119.027 -0.104 19079 8968 1 13 . 1 1 7 7 VAL HA H 7 4.528 4.528 4.245 0.283 19079 8969 1 13 . 1 1 7 7 VAL C C 7 173.989 173.989 173.954 0.035 19079 8970 1 13 . 1 1 7 7 VAL CA C 7 61.571 61.571 61.895 -0.324 19079 8971 1 13 . 1 1 7 7 VAL CB C 7 34.826 34.826 35.065 -0.239 19079 8972 1 13 . 1 1 7 7 VAL H H 7 8.586 8.586 8.321 0.265 19079 8973 1 13 . 1 1 8 8 HIS N N 8 132.990 132.990 125.415 7.575 19079 8974 1 13 . 1 1 8 8 HIS HA H 8 5.997 5.997 5.048 0.949 19079 8975 1 13 . 1 1 8 8 HIS C C 8 174.184 174.184 174.856 -0.672 19079 8976 1 13 . 1 1 8 8 HIS CA C 8 53.113 53.113 54.050 -0.937 19079 8977 1 13 . 1 1 8 8 HIS CB C 8 33.889 33.889 30.384 3.505 19079 8978 1 13 . 1 1 8 8 HIS H H 8 10.809 10.809 8.885 1.924 19079 8979 1 13 . 1 1 9 9 THR N N 9 118.112 118.112 116.760 1.352 19079 8980 1 13 . 1 1 9 9 THR HA H 9 5.343 5.343 4.324 1.019 19079 8981 1 13 . 1 1 9 9 THR C C 9 175.788 175.788 176.724 -0.936 19079 8982 1 13 . 1 1 9 9 THR CA C 9 59.768 59.768 61.276 -1.508 19079 8983 1 13 . 1 1 9 9 THR CB C 9 70.673 70.673 69.797 0.876 19079 8984 1 13 . 1 1 9 9 THR H H 9 9.512 9.512 8.319 1.193 19079 8985 1 13 . 1 1 10 10 GLU N N 10 117.927 117.927 120.491 -2.564 19079 8986 1 13 . 1 1 10 10 GLU HA H 10 4.096 4.096 3.880 0.216 19079 8987 1 13 . 1 1 10 10 GLU C C 10 176.321 176.321 176.978 -0.657 19079 8988 1 13 . 1 1 10 10 GLU CA C 10 59.900 59.900 59.854 0.046 19079 8989 1 13 . 1 1 10 10 GLU CB C 10 29.983 29.983 28.837 1.146 19079 8990 1 13 . 1 1 10 10 GLU H H 10 8.812 8.812 8.453 0.359 19079 8991 1 13 . 1 1 11 11 GLN N N 11 110.877 110.877 119.799 -8.922 19079 8992 1 13 . 1 1 11 11 GLN HA H 11 4.621 4.621 4.443 0.178 19079 8993 1 13 . 1 1 11 11 GLN C C 11 175.391 175.391 173.787 1.604 19079 8994 1 13 . 1 1 11 11 GLN CA C 11 56.071 56.071 54.654 1.417 19079 8995 1 13 . 1 1 11 11 GLN CB C 11 31.963 31.963 28.467 3.496 19079 8996 1 13 . 1 1 11 11 GLN H H 11 7.797 7.797 8.224 -0.427 19079 8997 1 13 . 1 1 12 12 ALA N N 12 122.143 122.143 122.002 0.141 19079 8998 1 13 . 1 1 12 12 ALA HA H 12 5.049 5.049 4.774 0.275 19079 8999 1 13 . 1 1 12 12 ALA C C 12 174.293 174.293 174.929 -0.636 19079 9000 1 13 . 1 1 12 12 ALA CA C 12 51.943 51.943 51.290 0.653 19079 9001 1 13 . 1 1 12 12 ALA CB C 12 23.177 23.177 21.734 1.443 19079 9002 1 13 . 1 1 12 12 ALA H H 12 7.814 7.814 7.422 0.392 19079 9003 1 13 . 1 1 13 13 ILE N N 13 119.589 119.589 125.121 -5.532 19079 9004 1 13 . 1 1 13 13 ILE HA H 13 5.399 5.399 4.705 0.694 19079 9005 1 13 . 1 1 13 13 ILE C C 13 174.295 174.295 175.142 -0.847 19079 9006 1 13 . 1 1 13 13 ILE CA C 13 60.102 60.102 59.366 0.736 19079 9007 1 13 . 1 1 13 13 ILE CB C 13 41.080 41.080 38.711 2.369 19079 9008 1 13 . 1 1 13 13 ILE H H 13 9.206 9.206 8.665 0.541 19079 9009 1 13 . 1 1 14 14 TYR N N 14 127.337 127.337 128.965 -1.628 19079 9010 1 13 . 1 1 14 14 TYR HA H 14 4.853 4.853 4.874 -0.021 19079 9011 1 13 . 1 1 14 14 TYR C C 14 172.793 172.793 175.267 -2.474 19079 9012 1 13 . 1 1 14 14 TYR CA C 14 56.784 56.784 56.860 -0.076 19079 9013 1 13 . 1 1 14 14 TYR CB C 14 39.797 39.797 37.545 2.252 19079 9014 1 13 . 1 1 14 14 TYR H H 14 9.794 9.794 8.597 1.197 19079 9015 1 13 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.757 -0.385 19079 9016 1 13 . 1 1 15 15 LYS CA C 15 55.924 55.924 54.262 1.662 19079 9017 1 13 . 1 1 15 15 LYS CB C 15 33.563 33.563 36.733 -3.170 19079 9018 1 13 . 1 1 15 15 LYS H H 15 7.550 7.550 8.278 -0.728 19079 9019 1 13 . 1 1 16 16 ASN N N 16 107.943 107.943 119.258 -11.315 19079 9020 1 13 . 1 1 16 16 ASN HA H 16 5.098 5.098 4.578 0.520 19079 9021 1 13 . 1 1 16 16 ASN C C 16 176.475 176.475 176.724 -0.249 19079 9022 1 13 . 1 1 16 16 ASN CA C 16 54.072 54.072 54.910 -0.838 19079 9023 1 13 . 1 1 16 16 ASN CB C 16 38.619 38.619 38.638 -0.019 19079 9024 1 13 . 1 1 16 16 ASN H H 16 8.156 8.156 8.917 -0.761 19079 9025 1 13 . 1 1 17 17 ALA N N 17 127.319 127.319 129.161 -1.842 19079 9026 1 13 . 1 1 17 17 ALA HA H 17 3.608 3.608 4.023 -0.415 19079 9027 1 13 . 1 1 17 17 ALA C C 17 180.081 180.081 178.197 1.884 19079 9028 1 13 . 1 1 17 17 ALA CA C 17 54.282 54.282 55.046 -0.764 19079 9029 1 13 . 1 1 17 17 ALA CB C 17 17.646 17.646 19.067 -1.421 19079 9030 1 13 . 1 1 17 17 ALA H H 17 7.573 7.573 8.394 -0.821 19079 9031 1 13 . 1 1 18 18 HIS N N 18 108.625 108.625 115.832 -7.207 19079 9032 1 13 . 1 1 18 18 HIS HA H 18 4.504 4.504 4.412 0.092 19079 9033 1 13 . 1 1 18 18 HIS C C 18 174.182 174.182 176.008 -1.826 19079 9034 1 13 . 1 1 18 18 HIS CA C 18 57.782 57.782 57.961 -0.179 19079 9035 1 13 . 1 1 18 18 HIS CB C 18 26.798 26.798 29.741 -2.943 19079 9036 1 13 . 1 1 18 18 HIS H H 18 8.118 8.118 8.429 -0.311 19079 9037 1 13 . 1 1 19 19 LEU N N 19 117.682 117.682 119.859 -2.177 19079 9038 1 13 . 1 1 19 19 LEU HA H 19 4.444 4.444 4.439 0.005 19079 9039 1 13 . 1 1 19 19 LEU C C 19 175.795 175.795 176.617 -0.822 19079 9040 1 13 . 1 1 19 19 LEU CA C 19 53.309 53.309 55.132 -1.823 19079 9041 1 13 . 1 1 19 19 LEU CB C 19 42.366 42.366 43.857 -1.491 19079 9042 1 13 . 1 1 19 19 LEU H H 19 6.677 6.677 7.571 -0.894 19079 9043 1 13 . 1 1 20 20 THR N N 20 116.187 116.187 109.671 6.516 19079 9044 1 13 . 1 1 20 20 THR HA H 20 4.700 4.700 4.457 0.243 19079 9045 1 13 . 1 1 20 20 THR C C 20 171.105 171.105 175.050 -3.945 19079 9046 1 13 . 1 1 20 20 THR CA C 20 58.570 58.570 61.314 -2.744 19079 9047 1 13 . 1 1 20 20 THR CB C 20 69.724 69.724 68.954 0.770 19079 9048 1 13 . 1 1 20 20 THR H H 20 7.399 7.399 7.655 -0.256 19079 9049 1 13 . 1 1 21 21 THR N N 21 114.194 114.194 116.611 -2.417 19079 9050 1 13 . 1 1 21 21 THR HA H 21 5.124 5.124 4.191 0.933 19079 9051 1 13 . 1 1 21 21 THR CA C 21 58.991 58.991 64.337 -5.346 19079 9052 1 13 . 1 1 21 21 THR CB C 21 71.564 71.564 67.338 4.226 19079 9053 1 13 . 1 1 21 21 THR H H 21 8.410 8.410 7.567 0.843 19079 9054 1 13 . 1 1 22 22 PRO HA H 22 4.432 4.432 4.312 0.120 19079 9055 1 13 . 1 1 22 22 PRO C C 22 175.895 175.895 175.625 0.270 19079 9056 1 13 . 1 1 22 22 PRO CA C 22 63.390 63.390 63.341 0.049 19079 9057 1 13 . 1 1 22 22 PRO CB C 22 32.203 32.203 30.940 1.263 19079 9058 1 13 . 1 1 23 23 ASN N N 23 119.233 119.233 120.707 -1.474 19079 9059 1 13 . 1 1 23 23 ASN HA H 23 5.032 5.032 4.689 0.343 19079 9060 1 13 . 1 1 23 23 ASN C C 23 175.963 175.963 174.218 1.745 19079 9061 1 13 . 1 1 23 23 ASN CA C 23 52.452 52.452 53.807 -1.355 19079 9062 1 13 . 1 1 23 23 ASN CB C 23 41.420 41.420 41.418 0.002 19079 9063 1 13 . 1 1 23 23 ASN H H 23 9.227 9.227 7.946 1.281 19079 9064 1 13 . 1 1 24 24 ASP N N 24 119.074 119.074 122.143 -3.069 19079 9065 1 13 . 1 1 24 24 ASP HA H 24 4.417 4.417 4.778 -0.361 19079 9066 1 13 . 1 1 24 24 ASP C C 24 176.983 176.983 175.765 1.218 19079 9067 1 13 . 1 1 24 24 ASP CA C 24 56.942 56.942 55.000 1.942 19079 9068 1 13 . 1 1 24 24 ASP CB C 24 40.266 40.266 40.624 -0.358 19079 9069 1 13 . 1 1 24 24 ASP H H 24 8.649 8.649 8.860 -0.211 19079 9070 1 13 . 1 1 25 25 GLN N N 25 116.580 116.580 117.033 -0.453 19079 9071 1 13 . 1 1 25 25 GLN HA H 25 4.425 4.425 4.428 -0.003 19079 9072 1 13 . 1 1 25 25 GLN C C 25 177.373 177.373 175.870 1.503 19079 9073 1 13 . 1 1 25 25 GLN CA C 25 55.419 55.419 56.069 -0.650 19079 9074 1 13 . 1 1 25 25 GLN CB C 25 28.933 28.933 30.341 -1.408 19079 9075 1 13 . 1 1 25 25 GLN H H 25 9.028 9.028 8.082 0.946 19079 9076 1 13 . 1 1 26 26 THR N N 26 122.196 122.196 114.439 7.757 19079 9077 1 13 . 1 1 26 26 THR HA H 26 4.779 4.779 4.130 0.649 19079 9078 1 13 . 1 1 26 26 THR C C 26 174.583 174.583 174.915 -0.332 19079 9079 1 13 . 1 1 26 26 THR CA C 26 65.218 65.218 63.553 1.665 19079 9080 1 13 . 1 1 26 26 THR CB C 26 68.963 68.963 69.065 -0.102 19079 9081 1 13 . 1 1 26 26 THR H H 26 7.692 7.692 7.569 0.123 19079 9082 1 13 . 1 1 27 27 ILE N N 27 129.367 129.367 125.222 4.145 19079 9083 1 13 . 1 1 27 27 ILE HA H 27 4.112 4.112 4.324 -0.212 19079 9084 1 13 . 1 1 27 27 ILE C C 27 175.734 175.734 175.886 -0.152 19079 9085 1 13 . 1 1 27 27 ILE CA C 27 62.558 62.558 63.072 -0.514 19079 9086 1 13 . 1 1 27 27 ILE CB C 27 40.357 40.357 39.983 0.374 19079 9087 1 13 . 1 1 27 27 ILE H H 27 9.785 9.785 8.716 1.069 19079 9088 1 13 . 1 1 28 28 LEU N N 28 120.773 120.773 118.455 2.318 19079 9089 1 13 . 1 1 28 28 LEU HA H 28 4.506 4.506 4.880 -0.374 19079 9090 1 13 . 1 1 28 28 LEU C C 28 173.083 173.083 174.272 -1.189 19079 9091 1 13 . 1 1 28 28 LEU CA C 28 55.337 55.337 54.330 1.007 19079 9092 1 13 . 1 1 28 28 LEU CB C 28 45.942 45.942 45.755 0.187 19079 9093 1 13 . 1 1 28 28 LEU H H 28 7.814 7.814 7.577 0.237 19079 9094 1 13 . 1 1 29 29 LEU N N 29 128.285 128.285 117.677 10.608 19079 9095 1 13 . 1 1 29 29 LEU HA H 29 4.798 4.798 5.488 -0.690 19079 9096 1 13 . 1 1 29 29 LEU C C 29 174.589 174.589 175.102 -0.513 19079 9097 1 13 . 1 1 29 29 LEU CA C 29 54.133 54.133 53.747 0.386 19079 9098 1 13 . 1 1 29 29 LEU CB C 29 43.909 43.909 45.815 -1.906 19079 9099 1 13 . 1 1 29 29 LEU H H 29 8.653 8.653 8.354 0.299 19079 9100 1 13 . 1 1 30 30 ALA N N 30 132.532 132.532 123.247 9.285 19079 9101 1 13 . 1 1 30 30 ALA HA H 30 4.995 4.995 4.841 0.154 19079 9102 1 13 . 1 1 30 30 ALA C C 30 177.994 177.994 177.424 0.570 19079 9103 1 13 . 1 1 30 30 ALA CA C 30 49.621 49.621 50.748 -1.127 19079 9104 1 13 . 1 1 30 30 ALA CB C 30 18.022 18.022 19.856 -1.834 19079 9105 1 13 . 1 1 30 30 ALA H H 30 9.179 9.179 8.665 0.514 19079 9106 1 13 . 1 1 31 31 LEU N N 31 126.651 126.651 125.680 0.971 19079 9107 1 13 . 1 1 31 31 LEU HA H 31 4.619 4.619 4.058 0.561 19079 9108 1 13 . 1 1 31 31 LEU CA C 31 59.032 59.032 57.328 1.704 19079 9109 1 13 . 1 1 31 31 LEU CB C 31 41.356 41.356 41.383 -0.028 19079 9110 1 13 . 1 1 31 31 LEU H H 31 8.828 8.828 8.875 -0.047 19079 9111 1 13 . 1 1 32 32 THR HA H 32 4.283 4.283 4.144 0.139 19079 9112 1 13 . 1 1 32 32 THR C C 32 173.341 173.341 175.617 -2.276 19079 9113 1 13 . 1 1 32 32 THR CA C 32 63.443 63.443 65.003 -1.560 19079 9114 1 13 . 1 1 32 32 THR CB C 32 68.639 68.639 68.635 0.005 19079 9115 1 13 . 1 1 32 32 THR H H 32 8.105 8.105 8.071 0.034 19079 9116 1 13 . 1 1 33 33 ALA N N 33 122.960 122.960 121.068 1.892 19079 9117 1 13 . 1 1 33 33 ALA HA H 33 5.301 5.301 4.574 0.727 19079 9118 1 13 . 1 1 33 33 ALA C C 33 175.467 175.467 175.630 -0.163 19079 9119 1 13 . 1 1 33 33 ALA CA C 33 50.782 50.782 51.049 -0.267 19079 9120 1 13 . 1 1 33 33 ALA CB C 33 20.256 20.256 21.041 -0.785 19079 9121 1 13 . 1 1 33 33 ALA H H 33 7.328 7.328 7.745 -0.417 19079 9122 1 13 . 1 1 34 34 ASP N N 34 115.713 115.713 117.585 -1.872 19079 9123 1 13 . 1 1 34 34 ASP HA H 34 4.194 4.194 4.206 -0.012 19079 9124 1 13 . 1 1 34 34 ASP C C 34 175.750 175.750 174.714 1.036 19079 9125 1 13 . 1 1 34 34 ASP CA C 34 55.269 55.269 55.494 -0.225 19079 9126 1 13 . 1 1 34 34 ASP CB C 34 40.525 40.525 38.568 1.958 19079 9127 1 13 . 1 1 34 34 ASP H H 34 7.927 7.927 8.007 -0.080 19079 9128 1 13 . 1 1 35 35 LEU N N 35 119.485 119.485 120.759 -1.274 19079 9129 1 13 . 1 1 35 35 LEU HA H 35 5.102 5.102 4.721 0.381 19079 9130 1 13 . 1 1 35 35 LEU C C 35 173.060 173.060 173.935 -0.875 19079 9131 1 13 . 1 1 35 35 LEU CA C 35 54.268 54.268 54.461 -0.193 19079 9132 1 13 . 1 1 35 35 LEU CB C 35 47.326 47.326 46.423 0.903 19079 9133 1 13 . 1 1 35 35 LEU H H 35 7.820 7.820 7.671 0.149 19079 9134 1 13 . 1 1 36 36 GLN N N 36 127.748 127.748 120.589 7.159 19079 9135 1 13 . 1 1 36 36 GLN HA H 36 4.790 4.790 5.178 -0.388 19079 9136 1 13 . 1 1 36 36 GLN C C 36 173.161 173.161 174.737 -1.576 19079 9137 1 13 . 1 1 36 36 GLN CA C 36 55.286 55.286 54.118 1.168 19079 9138 1 13 . 1 1 36 36 GLN CB C 36 32.594 32.594 33.140 -0.546 19079 9139 1 13 . 1 1 36 36 GLN H H 36 9.050 9.050 8.360 0.690 19079 9140 1 13 . 1 1 37 37 ILE N N 37 125.606 125.606 122.739 2.867 19079 9141 1 13 . 1 1 37 37 ILE HA H 37 4.807 4.807 4.996 -0.189 19079 9142 1 13 . 1 1 37 37 ILE C C 37 174.921 174.921 174.773 0.148 19079 9143 1 13 . 1 1 37 37 ILE CA C 37 59.869 59.869 60.151 -0.282 19079 9144 1 13 . 1 1 37 37 ILE CB C 37 39.750 39.750 40.454 -0.704 19079 9145 1 13 . 1 1 37 37 ILE H H 37 8.828 8.828 9.185 -0.357 19079 9146 1 13 . 1 1 38 38 ASP N N 38 128.163 128.163 125.151 3.012 19079 9147 1 13 . 1 1 38 38 ASP HA H 38 5.259 5.259 4.977 0.282 19079 9148 1 13 . 1 1 38 38 ASP C C 38 176.122 176.122 175.398 0.724 19079 9149 1 13 . 1 1 38 38 ASP CA C 38 52.316 52.316 51.806 0.510 19079 9150 1 13 . 1 1 38 38 ASP CB C 38 43.251 43.251 45.158 -1.907 19079 9151 1 13 . 1 1 38 38 ASP H H 38 9.226 9.226 8.339 0.887 19079 9152 1 13 . 1 1 39 39 GLY N N 39 107.273 107.273 106.057 1.216 19079 9153 1 13 . 1 1 39 39 GLY C C 39 171.808 171.808 172.823 -1.015 19079 9154 1 13 . 1 1 39 39 GLY CA C 39 45.108 45.108 44.460 0.648 19079 9155 1 13 . 1 1 39 39 GLY H H 39 8.682 8.682 8.308 0.374 19079 9156 1 13 . 1 1 40 40 CYS N N 40 114.602 114.602 116.187 -1.585 19079 9157 1 13 . 1 1 40 40 CYS HA H 40 4.832 4.832 4.642 0.190 19079 9158 1 13 . 1 1 40 40 CYS CA C 40 55.517 55.517 57.414 -1.897 19079 9159 1 13 . 1 1 40 40 CYS CB C 40 30.872 30.872 30.307 0.565 19079 9160 1 13 . 1 1 40 40 CYS H H 40 7.784 7.784 8.045 -0.261 19079 9161 1 13 . 1 1 41 41 ASP N N 41 121.388 121.388 119.158 2.230 19079 9162 1 13 . 1 1 41 41 ASP HA H 41 4.618 4.618 4.769 -0.151 19079 9163 1 13 . 1 1 41 41 ASP CA C 41 54.808 54.808 53.760 1.048 19079 9164 1 13 . 1 1 41 41 ASP CB C 41 41.299 41.299 41.174 0.125 19079 9165 1 13 . 1 1 41 41 ASP H H 41 8.496 8.496 8.448 0.048 19079 9166 1 13 . 1 1 42 42 GLN N N 42 118.506 118.506 119.890 -1.384 19079 9167 1 13 . 1 1 42 42 GLN HA H 42 4.900 4.900 4.627 0.273 19079 9168 1 13 . 1 1 42 42 GLN CA C 42 52.529 52.529 53.084 -0.555 19079 9169 1 13 . 1 1 42 42 GLN CB C 42 30.580 30.580 29.221 1.359 19079 9170 1 13 . 1 1 42 42 GLN H H 42 7.592 7.592 7.578 0.014 19079 9171 1 13 . 1 1 43 43 PRO HA H 43 4.438 4.438 4.401 0.037 19079 9172 1 13 . 1 1 43 43 PRO CA C 43 63.283 63.283 63.007 0.276 19079 9173 1 13 . 1 1 43 43 PRO CB C 43 32.178 32.178 32.212 -0.034 19079 9174 1 13 . 1 1 44 44 GLY N N 44 109.062 109.062 109.410 -0.348 19079 9175 1 13 . 1 1 44 44 GLY CA C 44 45.265 45.265 43.676 1.589 19079 9176 1 13 . 1 1 44 44 GLY H H 44 8.249 8.249 8.028 0.221 19079 9177 1 13 . 1 1 45 45 PRO HA H 45 4.535 4.535 4.417 0.118 19079 9178 1 13 . 1 1 45 45 PRO CA C 45 63.511 63.511 63.140 0.371 19079 9179 1 13 . 1 1 45 45 PRO CB C 45 33.193 33.193 31.924 1.269 19079 9180 1 13 . 1 1 46 46 ASP N N 46 121.254 121.254 121.294 -0.040 19079 9181 1 13 . 1 1 46 46 ASP HA H 46 4.784 4.784 4.617 0.167 19079 9182 1 13 . 1 1 46 46 ASP C C 46 174.555 174.555 175.056 -0.501 19079 9183 1 13 . 1 1 46 46 ASP CA C 46 55.268 55.268 55.023 0.245 19079 9184 1 13 . 1 1 46 46 ASP CB C 46 43.360 43.360 39.617 3.743 19079 9185 1 13 . 1 1 46 46 ASP H H 46 8.533 8.533 8.473 0.060 19079 9186 1 13 . 1 1 47 47 ASN N N 47 118.452 118.452 121.435 -2.983 19079 9187 1 13 . 1 1 47 47 ASN HA H 47 4.912 4.912 4.922 -0.010 19079 9188 1 13 . 1 1 47 47 ASN C C 47 172.394 172.394 174.918 -2.524 19079 9189 1 13 . 1 1 47 47 ASN CA C 47 52.877 52.877 52.042 0.835 19079 9190 1 13 . 1 1 47 47 ASN CB C 47 42.185 42.185 38.434 3.751 19079 9191 1 13 . 1 1 47 47 ASN H H 47 8.668 8.668 8.202 0.466 19079 9192 1 13 . 1 1 48 48 ILE N N 48 126.910 126.910 125.684 1.226 19079 9193 1 13 . 1 1 48 48 ILE HA H 48 5.269 5.269 4.003 1.266 19079 9194 1 13 . 1 1 48 48 ILE CA C 48 57.457 57.457 61.572 -4.114 19079 9195 1 13 . 1 1 48 48 ILE CB C 48 39.411 39.411 37.426 1.985 19079 9196 1 13 . 1 1 48 48 ILE H H 48 8.377 8.377 7.828 0.549 19079 9197 1 13 . 1 1 49 49 PRO HA H 49 4.571 4.571 4.446 0.125 19079 9198 1 13 . 1 1 49 49 PRO CA C 49 62.019 62.019 62.721 -0.702 19079 9199 1 13 . 1 1 49 49 PRO CB C 49 34.068 34.068 32.756 1.312 19079 9200 1 13 . 1 1 50 50 ASP N N 50 117.512 117.512 117.386 0.126 19079 9201 1 13 . 1 1 50 50 ASP HA H 50 4.847 4.847 4.859 -0.012 19079 9202 1 13 . 1 1 50 50 ASP C C 50 175.105 175.105 175.414 -0.309 19079 9203 1 13 . 1 1 50 50 ASP CA C 50 52.186 52.186 53.534 -1.348 19079 9204 1 13 . 1 1 50 50 ASP CB C 50 40.206 40.206 41.045 -0.839 19079 9205 1 13 . 1 1 50 50 ASP H H 50 7.928 7.928 8.560 -0.632 19079 9206 1 13 . 1 1 51 51 CYS N N 51 117.841 117.841 118.222 -0.381 19079 9207 1 13 . 1 1 51 51 CYS HA H 51 4.645 4.645 4.795 -0.150 19079 9208 1 13 . 1 1 51 51 CYS C C 51 173.952 173.952 173.101 0.851 19079 9209 1 13 . 1 1 51 51 CYS CA C 51 57.079 57.079 58.708 -1.629 19079 9210 1 13 . 1 1 51 51 CYS CB C 51 31.834 31.834 29.844 1.990 19079 9211 1 13 . 1 1 51 51 CYS H H 51 6.998 6.998 7.965 -0.967 19079 9212 1 13 . 1 1 52 52 ASP N N 52 113.831 113.831 125.311 -11.480 19079 9213 1 13 . 1 1 52 52 ASP HA H 52 4.790 4.790 4.736 0.054 19079 9214 1 13 . 1 1 52 52 ASP C C 52 177.522 177.522 175.623 1.899 19079 9215 1 13 . 1 1 52 52 ASP CA C 52 52.266 52.266 53.069 -0.803 19079 9216 1 13 . 1 1 52 52 ASP CB C 52 41.108 41.108 40.484 0.624 19079 9217 1 13 . 1 1 52 52 ASP H H 52 7.839 7.839 8.528 -0.689 19079 9218 1 13 . 1 1 53 53 CYS N N 53 120.924 120.924 120.151 0.773 19079 9219 1 13 . 1 1 53 53 CYS HA H 53 4.176 4.176 4.296 -0.120 19079 9220 1 13 . 1 1 53 53 CYS C C 53 177.320 177.320 175.975 1.345 19079 9221 1 13 . 1 1 53 53 CYS CA C 53 62.456 62.456 59.533 2.922 19079 9222 1 13 . 1 1 53 53 CYS CB C 53 31.077 31.077 27.713 3.364 19079 9223 1 13 . 1 1 53 53 CYS H H 53 8.180 8.180 8.341 -0.161 19079 9224 1 13 . 1 1 54 54 THR N N 54 108.381 108.381 113.046 -4.665 19079 9225 1 13 . 1 1 54 54 THR HA H 54 4.168 4.168 4.206 -0.038 19079 9226 1 13 . 1 1 54 54 THR C C 54 172.044 172.044 175.118 -3.074 19079 9227 1 13 . 1 1 54 54 THR CA C 54 60.645 60.645 63.651 -3.006 19079 9228 1 13 . 1 1 54 54 THR CB C 54 69.425 69.425 69.487 -0.062 19079 9229 1 13 . 1 1 54 54 THR H H 54 8.728 8.728 8.076 0.652 19079 9230 1 13 . 1 1 55 55 SER N N 55 114.465 114.465 119.175 -4.710 19079 9231 1 13 . 1 1 55 55 SER HA H 55 4.906 4.906 4.549 0.357 19079 9232 1 13 . 1 1 55 55 SER C C 55 172.897 172.897 174.426 -1.529 19079 9233 1 13 . 1 1 55 55 SER CA C 55 56.279 56.279 58.080 -1.801 19079 9234 1 13 . 1 1 55 55 SER CB C 55 66.156 66.156 63.232 2.924 19079 9235 1 13 . 1 1 55 55 SER H H 55 7.433 7.433 8.080 -0.647 19079 9236 1 13 . 1 1 56 56 GLY N N 56 106.492 106.492 113.336 -6.844 19079 9237 1 13 . 1 1 56 56 GLY C C 56 172.400 172.400 172.548 -0.148 19079 9238 1 13 . 1 1 56 56 GLY CA C 56 46.778 46.778 44.249 2.529 19079 9239 1 13 . 1 1 56 56 GLY H H 56 8.431 8.431 8.441 -0.010 19079 9240 1 13 . 1 1 57 57 CYS N N 57 123.907 123.907 117.972 5.935 19079 9241 1 13 . 1 1 57 57 CYS HA H 57 5.755 5.755 5.670 0.085 19079 9242 1 13 . 1 1 57 57 CYS C C 57 171.012 171.012 173.127 -2.115 19079 9243 1 13 . 1 1 57 57 CYS CA C 57 54.317 54.317 57.007 -2.690 19079 9244 1 13 . 1 1 57 57 CYS CB C 57 32.040 32.040 30.118 1.922 19079 9245 1 13 . 1 1 57 57 CYS H H 57 9.782 9.782 8.694 1.088 19079 9246 1 13 . 1 1 58 58 TYR N N 58 121.251 121.251 121.562 -0.311 19079 9247 1 13 . 1 1 58 58 TYR HA H 58 6.413 6.413 5.662 0.751 19079 9248 1 13 . 1 1 58 58 TYR C C 58 172.177 172.177 173.590 -1.413 19079 9249 1 13 . 1 1 58 58 TYR CA C 58 54.179 54.179 54.254 -0.075 19079 9250 1 13 . 1 1 58 58 TYR CB C 58 44.751 44.751 41.639 3.112 19079 9251 1 13 . 1 1 58 58 TYR H H 58 9.324 9.324 8.717 0.607 19079 9252 1 13 . 1 1 59 59 TYR N N 59 119.921 119.921 125.510 -5.589 19079 9253 1 13 . 1 1 59 59 TYR HA H 59 3.155 3.155 3.659 -0.504 19079 9254 1 13 . 1 1 59 59 TYR C C 59 173.490 173.490 174.619 -1.129 19079 9255 1 13 . 1 1 59 59 TYR CA C 59 56.439 56.439 57.013 -0.574 19079 9256 1 13 . 1 1 59 59 TYR CB C 59 38.280 38.280 37.136 1.143 19079 9257 1 13 . 1 1 59 59 TYR H H 59 7.851 7.851 7.785 0.066 19079 9258 1 13 . 1 1 60 60 SER N N 60 122.333 122.333 121.855 0.478 19079 9259 1 13 . 1 1 60 60 SER HA H 60 4.286 4.286 4.527 -0.241 19079 9260 1 13 . 1 1 60 60 SER C C 60 174.282 174.282 175.322 -1.040 19079 9261 1 13 . 1 1 60 60 SER CA C 60 54.201 54.201 57.217 -3.016 19079 9262 1 13 . 1 1 60 60 SER CB C 60 63.429 63.429 63.761 -0.332 19079 9263 1 13 . 1 1 60 60 SER H H 60 7.184 7.184 7.964 -0.780 19079 9264 1 13 . 1 1 61 61 ARG N N 61 131.876 131.876 129.124 2.752 19079 9265 1 13 . 1 1 61 61 ARG HA H 61 3.755 3.755 4.194 -0.439 19079 9266 1 13 . 1 1 61 61 ARG C C 61 179.454 179.454 177.693 1.761 19079 9267 1 13 . 1 1 61 61 ARG CA C 61 58.733 58.733 58.549 0.184 19079 9268 1 13 . 1 1 61 61 ARG CB C 61 29.216 29.216 30.192 -0.976 19079 9269 1 13 . 1 1 61 61 ARG H H 61 9.058 9.058 8.659 0.399 19079 9270 1 13 . 1 1 62 62 SER N N 62 115.806 115.806 114.265 1.541 19079 9271 1 13 . 1 1 62 62 SER HA H 62 4.021 4.021 4.298 -0.277 19079 9272 1 13 . 1 1 62 62 SER C C 62 177.405 177.405 174.716 2.689 19079 9273 1 13 . 1 1 62 62 SER CA C 62 60.787 60.787 60.950 -0.163 19079 9274 1 13 . 1 1 62 62 SER CB C 62 60.994 60.994 63.268 -2.274 19079 9275 1 13 . 1 1 62 62 SER H H 62 8.933 8.933 8.547 0.386 19079 9276 1 13 . 1 1 63 63 LEU N N 63 120.142 120.142 118.674 1.468 19079 9277 1 13 . 1 1 63 63 LEU HA H 63 4.315 4.315 4.646 -0.331 19079 9278 1 13 . 1 1 63 63 LEU C C 63 175.462 175.462 176.425 -0.963 19079 9279 1 13 . 1 1 63 63 LEU CA C 63 54.589 54.589 53.633 0.956 19079 9280 1 13 . 1 1 63 63 LEU CB C 63 41.583 41.583 42.723 -1.140 19079 9281 1 13 . 1 1 63 63 LEU H H 63 7.372 7.372 7.200 0.172 19079 9282 1 13 . 1 1 64 64 ASP N N 64 124.723 124.723 120.065 4.658 19079 9283 1 13 . 1 1 64 64 ASP HA H 64 4.308 4.308 4.407 -0.099 19079 9284 1 13 . 1 1 64 64 ASP C C 64 174.405 174.405 174.528 -0.123 19079 9285 1 13 . 1 1 64 64 ASP CA C 64 54.269 54.269 55.677 -1.408 19079 9286 1 13 . 1 1 64 64 ASP CB C 64 39.892 39.892 40.133 -0.241 19079 9287 1 13 . 1 1 64 64 ASP H H 64 8.122 8.122 8.107 0.015 19079 9288 1 13 . 1 1 65 65 ARG N N 65 111.932 111.932 113.774 -1.842 19079 9289 1 13 . 1 1 65 65 ARG HA H 65 4.648 4.648 4.244 0.404 19079 9290 1 13 . 1 1 65 65 ARG C C 65 172.842 172.842 173.835 -0.993 19079 9291 1 13 . 1 1 65 65 ARG CA C 65 54.327 54.327 54.906 -0.579 19079 9292 1 13 . 1 1 65 65 ARG CB C 65 33.013 33.013 31.526 1.487 19079 9293 1 13 . 1 1 65 65 ARG H H 65 7.434 7.434 8.030 -0.596 19079 9294 1 13 . 1 1 66 66 TYR N N 66 121.286 121.286 122.273 -0.987 19079 9295 1 13 . 1 1 66 66 TYR HA H 66 4.821 4.821 4.465 0.356 19079 9296 1 13 . 1 1 66 66 TYR C C 66 176.123 176.123 176.362 -0.239 19079 9297 1 13 . 1 1 66 66 TYR CA C 66 56.752 56.752 59.368 -2.616 19079 9298 1 13 . 1 1 66 66 TYR CB C 66 41.877 41.877 38.816 3.061 19079 9299 1 13 . 1 1 66 66 TYR H H 66 8.068 8.068 8.280 -0.212 19079 9300 1 13 . 1 1 67 67 ILE N N 67 119.080 119.080 120.073 -0.993 19079 9301 1 13 . 1 1 67 67 ILE HA H 67 4.620 4.620 4.773 -0.153 19079 9302 1 13 . 1 1 67 67 ILE CA C 67 57.840 57.840 57.166 0.674 19079 9303 1 13 . 1 1 67 67 ILE CB C 67 41.191 41.191 41.376 -0.185 19079 9304 1 13 . 1 1 67 67 ILE H H 67 8.640 8.640 8.589 0.051 19079 9305 1 13 . 1 1 68 68 PRO HA H 68 4.772 4.772 4.916 -0.144 19079 9306 1 13 . 1 1 68 68 PRO CA C 68 62.709 62.709 62.654 0.055 19079 9307 1 13 . 1 1 68 68 PRO CB C 68 32.923 32.923 31.561 1.362 19079 9308 1 13 . 1 1 69 69 VAL N N 69 120.668 120.668 118.286 2.382 19079 9309 1 13 . 1 1 69 69 VAL HA H 69 4.764 4.764 4.705 0.059 19079 9310 1 13 . 1 1 69 69 VAL C C 69 171.299 171.299 173.871 -2.572 19079 9311 1 13 . 1 1 69 69 VAL CA C 69 60.758 60.758 58.978 1.780 19079 9312 1 13 . 1 1 69 69 VAL CB C 69 36.158 36.158 35.895 0.263 19079 9313 1 13 . 1 1 69 69 VAL H H 69 8.866 8.866 8.679 0.187 19079 9314 1 13 . 1 1 70 70 GLU N N 70 127.352 127.352 121.473 5.879 19079 9315 1 13 . 1 1 70 70 GLU HA H 70 4.694 4.694 4.587 0.107 19079 9316 1 13 . 1 1 70 70 GLU C C 70 176.084 176.084 175.579 0.505 19079 9317 1 13 . 1 1 70 70 GLU CA C 70 55.438 55.438 54.989 0.449 19079 9318 1 13 . 1 1 70 70 GLU CB C 70 31.941 31.941 31.047 0.894 19079 9319 1 13 . 1 1 70 70 GLU H H 70 8.303 8.303 8.511 -0.208 19079 9320 1 13 . 1 1 71 71 CYS N N 71 118.985 118.985 122.731 -3.746 19079 9321 1 13 . 1 1 71 71 CYS HA H 71 5.283 5.283 5.150 0.133 19079 9322 1 13 . 1 1 71 71 CYS C C 71 173.987 173.987 174.000 -0.013 19079 9323 1 13 . 1 1 71 71 CYS CA C 71 56.927 56.927 55.639 1.288 19079 9324 1 13 . 1 1 71 71 CYS CB C 71 32.056 32.056 31.685 0.371 19079 9325 1 13 . 1 1 71 71 CYS H H 71 8.044 8.044 8.089 -0.045 19079 9326 1 13 . 1 1 72 72 GLU N N 72 119.188 119.188 118.816 0.372 19079 9327 1 13 . 1 1 72 72 GLU HA H 72 4.550 4.550 4.562 -0.012 19079 9328 1 13 . 1 1 72 72 GLU C C 72 175.540 175.540 175.211 0.329 19079 9329 1 13 . 1 1 72 72 GLU CA C 72 54.422 54.422 54.294 0.128 19079 9330 1 13 . 1 1 72 72 GLU CB C 72 32.723 32.723 31.502 1.222 19079 9331 1 13 . 1 1 72 72 GLU H H 72 8.651 8.651 8.759 -0.108 19079 9332 1 13 . 1 1 73 73 ALA N N 73 128.127 128.127 127.083 1.044 19079 9333 1 13 . 1 1 73 73 ALA HA H 73 4.894 4.894 4.333 0.561 19079 9334 1 13 . 1 1 73 73 ALA C C 73 177.065 177.065 176.727 0.338 19079 9335 1 13 . 1 1 73 73 ALA CA C 73 51.934 51.934 51.688 0.246 19079 9336 1 13 . 1 1 73 73 ALA CB C 73 19.744 19.744 19.088 0.656 19079 9337 1 13 . 1 1 73 73 ALA H H 73 8.825 8.825 8.626 0.199 19079 9338 1 13 . 1 1 74 74 HIS N N 74 120.049 120.049 125.722 -5.673 19079 9339 1 13 . 1 1 74 74 HIS HA H 74 4.730 4.730 4.597 0.133 19079 9340 1 13 . 1 1 74 74 HIS C C 74 173.973 173.973 175.219 -1.246 19079 9341 1 13 . 1 1 74 74 HIS CA C 74 54.940 54.940 55.155 -0.215 19079 9342 1 13 . 1 1 74 74 HIS CB C 74 32.641 32.641 31.724 0.917 19079 9343 1 13 . 1 1 74 74 HIS H H 74 8.813 8.813 8.902 -0.089 19079 9344 1 13 . 1 1 75 75 ASP N N 75 125.469 125.469 124.103 1.366 19079 9345 1 13 . 1 1 75 75 ASP HA H 75 4.619 4.619 4.195 0.424 19079 9346 1 13 . 1 1 75 75 ASP CA C 75 57.576 57.576 56.663 0.913 19079 9347 1 13 . 1 1 75 75 ASP CB C 75 42.215 42.215 40.447 1.768 19079 9348 1 13 . 1 1 75 75 ASP H H 75 8.951 8.951 8.549 0.402 19079 9349 1 13 . 1 1 76 76 TRP N N 76 113.768 113.768 113.640 0.128 19079 9350 1 13 . 1 1 76 76 TRP HA H 76 5.455 5.455 4.812 0.643 19079 9351 1 13 . 1 1 76 76 TRP CA C 76 54.833 54.833 56.127 -1.294 19079 9352 1 13 . 1 1 76 76 TRP CB C 76 31.701 31.701 30.604 1.097 19079 9353 1 13 . 1 1 76 76 TRP H H 76 7.574 7.574 6.472 1.102 19079 9354 1 13 . 1 1 77 77 TYR N N 77 122.650 122.650 119.267 3.383 19079 9355 1 13 . 1 1 77 77 TYR CA C 77 57.248 57.248 56.391 0.857 19079 9356 1 13 . 1 1 77 77 TYR CB C 77 33.700 33.700 41.568 -7.868 19079 9357 1 13 . 1 1 77 77 TYR H H 77 8.981 8.981 8.490 0.491 19079 9358 1 13 . 1 1 78 78 PRO HA H 78 4.493 4.493 4.893 -0.400 19079 9359 1 13 . 1 1 78 78 PRO CA C 78 62.242 62.242 62.850 -0.608 19079 9360 1 13 . 1 1 78 78 PRO CB C 78 31.237 31.237 32.686 -1.449 19079 9361 1 13 . 1 1 79 79 VAL N N 79 123.871 123.871 121.445 2.426 19079 9362 1 13 . 1 1 79 79 VAL HA H 79 3.953 3.953 4.500 -0.547 19079 9363 1 13 . 1 1 79 79 VAL C C 79 174.991 174.991 174.274 0.717 19079 9364 1 13 . 1 1 79 79 VAL CA C 79 61.545 61.545 60.116 1.429 19079 9365 1 13 . 1 1 79 79 VAL CB C 79 33.090 33.090 35.542 -2.452 19079 9366 1 13 . 1 1 79 79 VAL H H 79 8.512 8.512 8.933 -0.421 19079 9367 1 13 . 1 1 80 80 GLU N N 80 124.050 124.050 127.548 -3.498 19079 9368 1 13 . 1 1 80 80 GLU HA H 80 4.072 4.072 4.260 -0.188 19079 9369 1 13 . 1 1 80 80 GLU C C 80 175.607 175.607 175.901 -0.294 19079 9370 1 13 . 1 1 80 80 GLU CA C 80 56.291 56.291 56.436 -0.145 19079 9371 1 13 . 1 1 80 80 GLU CB C 80 30.272 30.272 28.052 2.220 19079 9372 1 13 . 1 1 80 80 GLU H H 80 8.068 8.068 8.840 -0.772 19079 9373 1 13 . 1 1 81 81 GLU N N 81 120.701 120.701 123.174 -2.473 19079 9374 1 13 . 1 1 81 81 GLU HA H 81 4.194 4.194 4.483 -0.289 19079 9375 1 13 . 1 1 81 81 GLU C C 81 175.817 175.817 176.004 -0.187 19079 9376 1 13 . 1 1 81 81 GLU CA C 81 57.390 57.390 55.469 1.921 19079 9377 1 13 . 1 1 81 81 GLU CB C 81 30.713 30.713 30.965 -0.252 19079 9378 1 13 . 1 1 81 81 GLU H H 81 8.751 8.751 8.203 0.548 19079 9379 1 13 . 1 1 82 82 THR N N 82 115.162 115.162 111.264 3.898 19079 9380 1 13 . 1 1 82 82 THR HA H 82 4.688 4.688 4.129 0.559 19079 9381 1 13 . 1 1 82 82 THR CA C 82 60.041 60.041 62.855 -2.814 19079 9382 1 13 . 1 1 82 82 THR CB C 82 73.866 73.866 68.750 5.116 19079 9383 1 13 . 1 1 82 82 THR H H 82 8.631 8.631 8.221 0.410 19079 9384 1 13 . 1 1 83 83 GLN N N 83 116.650 116.650 120.935 -4.285 19079 9385 1 13 . 1 1 83 83 GLN HA H 83 4.629 4.629 4.089 0.540 19079 9386 1 13 . 1 1 83 83 GLN CA C 83 57.643 57.643 58.051 -0.408 19079 9387 1 13 . 1 1 83 83 GLN CB C 83 30.537 30.537 28.644 1.893 19079 9388 1 13 . 1 1 83 83 GLN H H 83 8.714 8.714 8.400 0.314 19079 9389 1 13 . 1 1 86 86 PRO HA H 86 4.779 4.779 4.412 0.367 19079 9390 1 13 . 1 1 86 86 PRO CA C 86 62.018 62.018 62.552 -0.534 19079 9391 1 13 . 1 1 86 86 PRO CB C 86 32.818 32.818 32.967 -0.149 19079 9392 1 13 . 1 1 87 87 LYS N N 87 123.136 123.136 120.604 2.532 19079 9393 1 13 . 1 1 87 87 LYS HA H 87 4.545 4.545 4.292 0.253 19079 9394 1 13 . 1 1 87 87 LYS C C 87 176.411 176.411 176.604 -0.193 19079 9395 1 13 . 1 1 87 87 LYS CA C 87 57.800 57.800 57.830 -0.030 19079 9396 1 13 . 1 1 87 87 LYS CB C 87 32.322 32.322 32.663 -0.341 19079 9397 1 13 . 1 1 87 87 LYS H H 87 8.936 8.936 8.488 0.448 19079 9398 1 13 . 1 1 88 88 HIS N N 88 119.788 119.788 123.716 -3.928 19079 9399 1 13 . 1 1 88 88 HIS HA H 88 4.973 4.973 4.716 0.257 19079 9400 1 13 . 1 1 88 88 HIS C C 88 171.431 171.431 173.492 -2.061 19079 9401 1 13 . 1 1 88 88 HIS CA C 88 55.171 55.171 55.648 -0.477 19079 9402 1 13 . 1 1 88 88 HIS CB C 88 29.695 29.695 34.052 -4.357 19079 9403 1 13 . 1 1 88 88 HIS H H 88 8.490 8.490 8.313 0.177 19079 9404 1 13 . 1 1 89 89 ILE N N 89 120.371 120.371 120.660 -0.289 19079 9405 1 13 . 1 1 89 89 ILE HA H 89 4.453 4.453 4.585 -0.132 19079 9406 1 13 . 1 1 89 89 ILE C C 89 176.167 176.167 175.646 0.521 19079 9407 1 13 . 1 1 89 89 ILE CA C 89 60.066 60.066 59.796 0.270 19079 9408 1 13 . 1 1 89 89 ILE CB C 89 38.855 38.855 37.988 0.867 19079 9409 1 13 . 1 1 89 89 ILE H H 89 8.417 8.417 8.434 -0.017 19079 9410 1 13 . 1 1 90 90 GLN N N 90 122.913 122.913 124.051 -1.138 19079 9411 1 13 . 1 1 90 90 GLN HA H 90 5.313 5.313 4.888 0.425 19079 9412 1 13 . 1 1 90 90 GLN CA C 90 54.194 54.194 54.584 -0.390 19079 9413 1 13 . 1 1 90 90 GLN CB C 90 32.780 32.780 32.862 -0.082 19079 9414 1 13 . 1 1 90 90 GLN H H 90 8.286 8.286 9.006 -0.720 19079 9415 1 13 . 1 1 91 91 TYR N N 91 117.779 117.779 118.590 -0.811 19079 9416 1 13 . 1 1 91 91 TYR HA H 91 5.394 5.394 5.058 0.336 19079 9417 1 13 . 1 1 91 91 TYR C C 91 175.762 175.762 175.355 0.407 19079 9418 1 13 . 1 1 91 91 TYR CA C 91 56.672 56.672 57.345 -0.673 19079 9419 1 13 . 1 1 91 91 TYR CB C 91 41.701 41.701 42.052 -0.351 19079 9420 1 13 . 1 1 91 91 TYR H H 91 8.086 8.086 8.016 0.070 19079 9421 1 13 . 1 1 92 92 ASN N N 92 113.182 113.182 117.223 -4.041 19079 9422 1 13 . 1 1 92 92 ASN HA H 92 4.558 4.558 4.414 0.144 19079 9423 1 13 . 1 1 92 92 ASN C C 92 172.369 172.369 174.004 -1.635 19079 9424 1 13 . 1 1 92 92 ASN CA C 92 55.522 55.522 54.451 1.071 19079 9425 1 13 . 1 1 92 92 ASN CB C 92 37.732 37.732 36.469 1.263 19079 9426 1 13 . 1 1 92 92 ASN H H 92 8.529 8.529 8.687 -0.158 19079 9427 1 13 . 1 1 93 93 LEU N N 93 117.359 117.359 120.150 -2.791 19079 9428 1 13 . 1 1 93 93 LEU HA H 93 5.455 5.455 5.075 0.380 19079 9429 1 13 . 1 1 93 93 LEU C C 93 177.709 177.709 175.329 2.380 19079 9430 1 13 . 1 1 93 93 LEU CA C 93 54.341 54.341 54.017 0.324 19079 9431 1 13 . 1 1 93 93 LEU CB C 93 47.006 47.006 45.440 1.566 19079 9432 1 13 . 1 1 93 93 LEU H H 93 7.846 7.846 8.747 -0.901 19079 9433 1 13 . 1 1 94 94 LEU N N 94 123.298 123.298 124.815 -1.517 19079 9434 1 13 . 1 1 94 94 LEU HA H 94 5.014 5.014 5.183 -0.169 19079 9435 1 13 . 1 1 94 94 LEU C C 94 175.771 175.771 176.167 -0.396 19079 9436 1 13 . 1 1 94 94 LEU CA C 94 53.889 53.889 53.522 0.367 19079 9437 1 13 . 1 1 94 94 LEU CB C 94 44.784 44.784 42.357 2.427 19079 9438 1 13 . 1 1 94 94 LEU H H 94 9.155 9.155 8.865 0.290 19079 9439 1 13 . 1 1 95 95 ILE N N 95 121.585 121.585 124.731 -3.146 19079 9440 1 13 . 1 1 95 95 ILE HA H 95 5.166 5.166 4.966 0.200 19079 9441 1 13 . 1 1 95 95 ILE C C 95 175.885 175.885 175.775 0.110 19079 9442 1 13 . 1 1 95 95 ILE CA C 95 59.795 59.795 59.099 0.696 19079 9443 1 13 . 1 1 95 95 ILE CB C 95 39.820 39.820 39.082 0.738 19079 9444 1 13 . 1 1 95 95 ILE H H 95 8.920 8.920 7.649 1.271 19079 9445 1 13 . 1 1 96 96 GLY N N 96 115.891 115.891 114.853 1.038 19079 9446 1 13 . 1 1 96 96 GLY C C 96 171.937 171.937 172.230 -0.293 19079 9447 1 13 . 1 1 96 96 GLY CA C 96 44.865 44.865 44.333 0.532 19079 9448 1 13 . 1 1 96 96 GLY H H 96 9.223 9.223 8.879 0.344 19079 9449 1 13 . 1 1 97 97 GLU N N 97 119.340 119.340 122.607 -3.267 19079 9450 1 13 . 1 1 97 97 GLU HA H 97 4.831 4.831 4.651 0.180 19079 9451 1 13 . 1 1 97 97 GLU C C 97 175.567 175.567 175.509 0.058 19079 9452 1 13 . 1 1 97 97 GLU CA C 97 55.736 55.736 54.570 1.166 19079 9453 1 13 . 1 1 97 97 GLU CB C 97 31.009 31.009 30.640 0.369 19079 9454 1 13 . 1 1 97 97 GLU H H 97 8.197 8.197 8.067 0.130 19079 9455 1 13 . 1 1 98 98 GLY N N 98 113.912 113.912 112.262 1.650 19079 9456 1 13 . 1 1 98 98 GLY CA C 98 45.089 45.089 43.951 1.138 19079 9457 1 13 . 1 1 98 98 GLY H H 98 7.767 7.767 7.718 0.049 19079 9458 1 13 . 1 1 99 99 PRO HA H 99 4.347 4.347 4.549 -0.202 19079 9459 1 13 . 1 1 99 99 PRO CA C 99 62.396 62.396 62.792 -0.396 19079 9460 1 13 . 1 1 99 99 PRO CB C 99 32.558 32.558 33.159 -0.601 19079 9461 1 13 . 1 1 100 100 CYS N N 100 122.972 122.972 117.284 5.688 19079 9462 1 13 . 1 1 100 100 CYS HA H 100 4.567 4.567 4.721 -0.154 19079 9463 1 13 . 1 1 100 100 CYS C C 100 172.077 172.077 173.471 -1.394 19079 9464 1 13 . 1 1 100 100 CYS CA C 100 60.097 60.097 57.660 2.437 19079 9465 1 13 . 1 1 100 100 CYS CB C 100 28.063 28.063 29.362 -1.299 19079 9466 1 13 . 1 1 100 100 CYS H H 100 8.219 8.219 8.301 -0.082 19079 9467 1 13 . 1 1 101 101 VAL N N 101 123.973 123.973 120.594 3.379 19079 9468 1 13 . 1 1 101 101 VAL HA H 101 4.888 4.888 4.521 0.367 19079 9469 1 13 . 1 1 101 101 VAL CA C 101 58.947 58.947 58.727 0.220 19079 9470 1 13 . 1 1 101 101 VAL CB C 101 32.322 32.322 33.636 -1.315 19079 9471 1 13 . 1 1 101 101 VAL H H 101 8.662 8.662 8.033 0.629 19079 9472 1 13 . 1 1 103 103 GLY C C 103 175.333 175.333 173.677 1.656 19079 9473 1 13 . 1 1 103 103 GLY CA C 103 45.683 45.683 44.699 0.984 19079 9474 1 13 . 1 1 104 104 ASP N N 104 121.740 121.740 120.237 1.503 19079 9475 1 13 . 1 1 104 104 ASP HA H 104 4.836 4.836 4.680 0.156 19079 9476 1 13 . 1 1 104 104 ASP C C 104 176.601 176.601 175.406 1.195 19079 9477 1 13 . 1 1 104 104 ASP CA C 104 54.700 54.700 53.433 1.267 19079 9478 1 13 . 1 1 104 104 ASP CB C 104 41.322 41.322 42.414 -1.092 19079 9479 1 13 . 1 1 104 104 ASP H H 104 8.217 8.217 7.629 0.588 19079 9480 1 13 . 1 1 105 105 ALA N N 105 121.750 121.750 121.959 -0.209 19079 9481 1 13 . 1 1 105 105 ALA HA H 105 3.707 3.707 3.899 -0.192 19079 9482 1 13 . 1 1 105 105 ALA C C 105 175.218 175.218 177.320 -2.102 19079 9483 1 13 . 1 1 105 105 ALA CA C 105 54.002 54.002 53.581 0.421 19079 9484 1 13 . 1 1 105 105 ALA CB C 105 18.021 18.021 18.538 -0.517 19079 9485 1 13 . 1 1 105 105 ALA H H 105 7.672 7.672 7.495 0.177 19079 9486 1 13 . 1 1 106 106 GLY N N 106 110.675 110.675 110.643 0.032 19079 9487 1 13 . 1 1 106 106 GLY C C 106 174.112 174.112 174.768 -0.656 19079 9488 1 13 . 1 1 106 106 GLY CA C 106 45.354 45.354 44.591 0.763 19079 9489 1 13 . 1 1 106 106 GLY H H 106 8.781 8.781 7.868 0.913 19079 9490 1 13 . 1 1 107 107 GLY N N 107 104.052 104.052 109.824 -5.772 19079 9491 1 13 . 1 1 107 107 GLY C C 107 173.970 173.970 174.406 -0.436 19079 9492 1 13 . 1 1 107 107 GLY CA C 107 46.405 46.405 45.132 1.273 19079 9493 1 13 . 1 1 107 107 GLY H H 107 7.727 7.727 7.661 0.066 19079 9494 1 13 . 1 1 108 108 LYS N N 108 122.212 122.212 125.503 -3.291 19079 9495 1 13 . 1 1 108 108 LYS HA H 108 4.442 4.442 4.315 0.127 19079 9496 1 13 . 1 1 108 108 LYS C C 108 175.056 175.056 175.808 -0.752 19079 9497 1 13 . 1 1 108 108 LYS CA C 108 58.497 58.497 56.685 1.812 19079 9498 1 13 . 1 1 108 108 LYS CB C 108 36.053 36.053 33.328 2.725 19079 9499 1 13 . 1 1 108 108 LYS H H 108 8.553 8.553 8.424 0.129 19079 9500 1 13 . 1 1 109 109 LEU N N 109 119.300 119.300 128.788 -9.488 19079 9501 1 13 . 1 1 109 109 LEU HA H 109 4.881 4.881 5.063 -0.182 19079 9502 1 13 . 1 1 109 109 LEU C C 109 175.017 175.017 174.718 0.299 19079 9503 1 13 . 1 1 109 109 LEU CA C 109 53.372 53.372 53.666 -0.294 19079 9504 1 13 . 1 1 109 109 LEU CB C 109 43.275 43.275 42.715 0.560 19079 9505 1 13 . 1 1 109 109 LEU H H 109 8.065 8.065 9.087 -1.022 19079 9506 1 13 . 1 1 110 110 LEU N N 110 126.757 126.757 127.869 -1.112 19079 9507 1 13 . 1 1 110 110 LEU HA H 110 5.498 5.498 4.933 0.565 19079 9508 1 13 . 1 1 110 110 LEU C C 110 176.125 176.125 175.977 0.148 19079 9509 1 13 . 1 1 110 110 LEU CA C 110 55.318 55.318 54.417 0.901 19079 9510 1 13 . 1 1 110 110 LEU CB C 110 44.799 44.799 44.122 0.677 19079 9511 1 13 . 1 1 110 110 LEU H H 110 9.450 9.450 9.187 0.263 19079 9512 1 13 . 1 1 111 111 CYS N N 111 118.897 118.897 120.977 -2.080 19079 9513 1 13 . 1 1 111 111 CYS HA H 111 5.254 5.254 4.852 0.402 19079 9514 1 13 . 1 1 111 111 CYS C C 111 177.063 177.063 175.853 1.210 19079 9515 1 13 . 1 1 111 111 CYS CA C 111 57.201 57.201 56.367 0.834 19079 9516 1 13 . 1 1 111 111 CYS CB C 111 32.532 32.532 30.959 1.573 19079 9517 1 13 . 1 1 111 111 CYS H H 111 8.575 8.575 8.740 -0.165 19079 9518 1 13 . 1 1 112 112 ARG N N 112 116.382 116.382 120.138 -3.756 19079 9519 1 13 . 1 1 112 112 ARG HA H 112 3.918 3.918 3.896 0.022 19079 9520 1 13 . 1 1 112 112 ARG C C 112 176.892 176.892 177.611 -0.719 19079 9521 1 13 . 1 1 112 112 ARG CA C 112 59.714 59.714 58.668 1.046 19079 9522 1 13 . 1 1 112 112 ARG CB C 112 29.874 29.874 29.361 0.513 19079 9523 1 13 . 1 1 112 112 ARG H H 112 8.350 8.350 8.662 -0.312 19079 9524 1 13 . 1 1 113 113 HIS N N 113 121.579 121.579 114.329 7.250 19079 9525 1 13 . 1 1 113 113 HIS HA H 113 4.480 4.480 4.701 -0.221 19079 9526 1 13 . 1 1 113 113 HIS C C 113 175.439 175.439 175.718 -0.279 19079 9527 1 13 . 1 1 113 113 HIS CA C 113 58.739 58.739 56.379 2.360 19079 9528 1 13 . 1 1 113 113 HIS CB C 113 31.050 31.050 30.741 0.309 19079 9529 1 13 . 1 1 113 113 HIS H H 113 10.445 10.445 7.228 3.217 19079 9530 1 13 . 1 1 114 114 GLY N N 114 108.273 108.273 105.578 2.695 19079 9531 1 13 . 1 1 114 114 GLY C C 114 169.307 169.307 172.913 -3.606 19079 9532 1 13 . 1 1 114 114 GLY CA C 114 45.413 45.413 44.744 0.669 19079 9533 1 13 . 1 1 114 114 GLY H H 114 7.689 7.689 7.469 0.220 19079 9534 1 13 . 1 1 115 115 VAL N N 115 120.998 120.998 122.031 -1.033 19079 9535 1 13 . 1 1 115 115 VAL HA H 115 4.476 4.476 4.060 0.416 19079 9536 1 13 . 1 1 115 115 VAL C C 115 173.881 173.881 176.486 -2.605 19079 9537 1 13 . 1 1 115 115 VAL CA C 115 62.513 62.513 64.828 -2.314 19079 9538 1 13 . 1 1 115 115 VAL CB C 115 32.113 32.113 32.123 -0.010 19079 9539 1 13 . 1 1 115 115 VAL H H 115 8.455 8.455 8.465 -0.010 19079 9540 1 13 . 1 1 116 116 ILE N N 116 114.566 114.566 117.158 -2.592 19079 9541 1 13 . 1 1 116 116 ILE HA H 116 4.603 4.603 4.685 -0.082 19079 9542 1 13 . 1 1 116 116 ILE C C 116 175.445 175.445 174.725 0.720 19079 9543 1 13 . 1 1 116 116 ILE CA C 116 61.470 61.470 60.141 1.329 19079 9544 1 13 . 1 1 116 116 ILE CB C 116 40.782 40.782 39.677 1.105 19079 9545 1 13 . 1 1 116 116 ILE H H 116 8.460 8.460 8.988 -0.528 19079 9546 1 13 . 1 1 117 117 GLY N N 117 106.195 106.195 107.909 -1.714 19079 9547 1 13 . 1 1 117 117 GLY C C 117 171.664 171.664 172.028 -0.364 19079 9548 1 13 . 1 1 117 117 GLY CA C 117 46.303 46.303 45.778 0.525 19079 9549 1 13 . 1 1 117 117 GLY H H 117 7.827 7.827 7.528 0.299 19079 9550 1 13 . 1 1 118 118 ILE N N 118 109.501 109.501 115.237 -5.736 19079 9551 1 13 . 1 1 118 118 ILE HA H 118 5.611 5.611 5.647 -0.036 19079 9552 1 13 . 1 1 118 118 ILE C C 118 176.642 176.642 175.361 1.281 19079 9553 1 13 . 1 1 118 118 ILE CA C 118 58.787 58.787 57.865 0.922 19079 9554 1 13 . 1 1 118 118 ILE CB C 118 43.351 43.351 42.006 1.345 19079 9555 1 13 . 1 1 118 118 ILE H H 118 7.571 7.571 8.123 -0.552 19079 9556 1 13 . 1 1 119 119 ILE N N 119 124.258 124.258 120.408 3.850 19079 9557 1 13 . 1 1 119 119 ILE HA H 119 3.774 3.774 3.604 0.170 19079 9558 1 13 . 1 1 119 119 ILE C C 119 177.447 177.447 176.594 0.853 19079 9559 1 13 . 1 1 119 119 ILE CA C 119 64.399 64.399 61.778 2.621 19079 9560 1 13 . 1 1 119 119 ILE CB C 119 39.393 39.393 36.551 2.842 19079 9561 1 13 . 1 1 119 119 ILE H H 119 9.465 9.465 8.091 1.374 19079 9562 1 13 . 1 1 120 120 THR N N 120 122.153 122.153 123.631 -1.478 19079 9563 1 13 . 1 1 120 120 THR HA H 120 4.670 4.670 4.334 0.336 19079 9564 1 13 . 1 1 120 120 THR C C 120 171.416 171.416 173.527 -2.111 19079 9565 1 13 . 1 1 120 120 THR CA C 120 61.440 61.440 61.132 0.308 19079 9566 1 13 . 1 1 120 120 THR CB C 120 70.455 70.455 69.890 0.565 19079 9567 1 13 . 1 1 120 120 THR H H 120 9.400 9.400 8.157 1.243 19079 9568 1 13 . 1 1 121 121 ALA N N 121 124.014 124.014 122.449 1.565 19079 9569 1 13 . 1 1 121 121 ALA HA H 121 4.583 4.583 4.603 -0.020 19079 9570 1 13 . 1 1 121 121 ALA C C 121 173.695 173.695 175.099 -1.404 19079 9571 1 13 . 1 1 121 121 ALA CA C 121 51.833 51.833 51.686 0.147 19079 9572 1 13 . 1 1 121 121 ALA CB C 121 22.523 22.523 21.354 1.169 19079 9573 1 13 . 1 1 121 121 ALA H H 121 7.885 7.885 7.159 0.726 19079 9574 1 13 . 1 1 122 122 GLY N N 122 103.252 103.252 105.233 -1.981 19079 9575 1 13 . 1 1 122 122 GLY C C 122 172.124 172.124 173.390 -1.266 19079 9576 1 13 . 1 1 122 122 GLY CA C 122 45.917 45.917 45.019 0.898 19079 9577 1 13 . 1 1 122 122 GLY H H 122 7.828 7.828 8.243 -0.415 19079 9578 1 13 . 1 1 123 123 GLY N N 123 107.688 107.688 106.845 0.843 19079 9579 1 13 . 1 1 123 123 GLY C C 123 174.470 174.470 173.063 1.407 19079 9580 1 13 . 1 1 123 123 GLY CA C 123 45.051 45.051 45.096 -0.046 19079 9581 1 13 . 1 1 123 123 GLY H H 123 8.285 8.285 8.663 -0.378 19079 9582 1 13 . 1 1 124 124 ASP N N 124 120.288 120.288 121.579 -1.291 19079 9583 1 13 . 1 1 124 124 ASP HA H 124 4.621 4.621 4.487 0.134 19079 9584 1 13 . 1 1 124 124 ASP C C 124 176.061 176.061 177.691 -1.630 19079 9585 1 13 . 1 1 124 124 ASP CA C 124 55.465 55.465 55.681 -0.216 19079 9586 1 13 . 1 1 124 124 ASP CB C 124 40.111 40.111 39.915 0.196 19079 9587 1 13 . 1 1 124 124 ASP H H 124 9.054 9.054 8.501 0.553 19079 9588 1 13 . 1 1 125 125 GLY N N 125 105.482 105.482 113.091 -7.609 19079 9589 1 13 . 1 1 125 125 GLY C C 125 174.566 174.566 173.518 1.048 19079 9590 1 13 . 1 1 125 125 GLY CA C 125 45.493 45.493 45.598 -0.105 19079 9591 1 13 . 1 1 125 125 GLY H H 125 8.567 8.567 8.849 -0.282 19079 9592 1 13 . 1 1 126 126 HIS N N 126 117.677 117.677 116.826 0.851 19079 9593 1 13 . 1 1 126 126 HIS HA H 126 5.449 5.449 5.398 0.051 19079 9594 1 13 . 1 1 126 126 HIS C C 126 172.058 172.058 173.151 -1.093 19079 9595 1 13 . 1 1 126 126 HIS CA C 126 54.653 54.653 55.012 -0.359 19079 9596 1 13 . 1 1 126 126 HIS CB C 126 31.709 31.709 34.431 -2.722 19079 9597 1 13 . 1 1 126 126 HIS H H 126 7.852 7.852 7.512 0.340 19079 9598 1 13 . 1 1 127 127 VAL N N 127 121.145 121.145 120.121 1.024 19079 9599 1 13 . 1 1 127 127 VAL HA H 127 4.230 4.230 4.304 -0.074 19079 9600 1 13 . 1 1 127 127 VAL C C 127 170.317 170.317 173.361 -3.044 19079 9601 1 13 . 1 1 127 127 VAL CA C 127 60.125 60.125 60.130 -0.005 19079 9602 1 13 . 1 1 127 127 VAL CB C 127 34.681 34.681 35.469 -0.788 19079 9603 1 13 . 1 1 127 127 VAL H H 127 8.857 8.857 8.087 0.770 19079 9604 1 13 . 1 1 128 128 ALA N N 128 127.867 127.867 131.220 -3.353 19079 9605 1 13 . 1 1 128 128 ALA HA H 128 5.222 5.222 4.920 0.302 19079 9606 1 13 . 1 1 128 128 ALA C C 128 175.506 175.506 175.584 -0.078 19079 9607 1 13 . 1 1 128 128 ALA CA C 128 49.199 49.199 50.981 -1.782 19079 9608 1 13 . 1 1 128 128 ALA CB C 128 21.731 21.731 20.893 0.838 19079 9609 1 13 . 1 1 128 128 ALA H H 128 8.400 8.400 8.279 0.121 19079 9610 1 13 . 1 1 129 129 PHE N N 129 121.202 121.202 118.227 2.975 19079 9611 1 13 . 1 1 129 129 PHE HA H 129 5.301 5.301 5.130 0.171 19079 9612 1 13 . 1 1 129 129 PHE C C 129 176.082 176.082 175.436 0.646 19079 9613 1 13 . 1 1 129 129 PHE CA C 129 54.759 54.759 56.889 -2.130 19079 9614 1 13 . 1 1 129 129 PHE CB C 129 41.372 41.372 43.358 -1.986 19079 9615 1 13 . 1 1 129 129 PHE H H 129 9.689 9.689 8.336 1.353 19079 9616 1 13 . 1 1 130 130 THR N N 130 121.809 121.809 121.068 0.741 19079 9617 1 13 . 1 1 130 130 THR HA H 130 4.573 4.573 4.669 -0.096 19079 9618 1 13 . 1 1 130 130 THR C C 130 173.050 173.050 173.783 -0.733 19079 9619 1 13 . 1 1 130 130 THR CA C 130 63.487 63.487 62.317 1.170 19079 9620 1 13 . 1 1 130 130 THR CB C 130 70.852 70.852 69.483 1.369 19079 9621 1 13 . 1 1 130 130 THR H H 130 8.848 8.848 8.969 -0.121 19079 9622 1 13 . 1 1 131 131 ASP N N 131 128.382 128.382 129.447 -1.065 19079 9623 1 13 . 1 1 131 131 ASP HA H 131 4.915 4.915 4.731 0.184 19079 9624 1 13 . 1 1 131 131 ASP C C 131 175.616 175.616 176.865 -1.249 19079 9625 1 13 . 1 1 131 131 ASP CA C 131 52.924 52.924 55.448 -2.524 19079 9626 1 13 . 1 1 131 131 ASP CB C 131 41.513 41.513 41.023 0.490 19079 9627 1 13 . 1 1 131 131 ASP H H 131 8.722 8.722 8.210 0.512 19079 9628 1 13 . 1 1 132 132 LEU N N 132 123.250 123.250 126.311 -3.061 19079 9629 1 13 . 1 1 132 132 LEU HA H 132 4.325 4.325 4.425 -0.100 19079 9630 1 13 . 1 1 132 132 LEU C C 132 179.704 179.704 178.828 0.876 19079 9631 1 13 . 1 1 132 132 LEU CA C 132 55.286 55.286 55.411 -0.126 19079 9632 1 13 . 1 1 132 132 LEU CB C 132 42.640 42.640 42.126 0.514 19079 9633 1 13 . 1 1 132 132 LEU H H 132 8.788 8.788 8.172 0.616 19079 9634 1 13 . 1 1 133 133 ARG N N 133 119.561 119.561 121.374 -1.813 19079 9635 1 13 . 1 1 133 133 ARG HA H 133 3.977 3.977 4.292 -0.315 19079 9636 1 13 . 1 1 133 133 ARG C C 133 177.476 177.476 175.854 1.622 19079 9637 1 13 . 1 1 133 133 ARG CA C 133 61.799 61.799 61.694 0.105 19079 9638 1 13 . 1 1 133 133 ARG CB C 133 27.601 27.601 28.322 -0.721 19079 9639 1 13 . 1 1 133 133 ARG H H 133 8.961 8.961 7.906 1.055 19079 9640 1 13 . 1 1 134 134 PRO HA H 134 4.284 4.284 4.263 0.021 19079 9641 1 13 . 1 1 134 134 PRO C C 134 175.695 175.695 176.416 -0.721 19079 9642 1 13 . 1 1 134 134 PRO CA C 134 64.508 64.508 64.028 0.480 19079 9643 1 13 . 1 1 134 134 PRO CB C 134 31.008 31.008 31.524 -0.516 19079 9644 1 13 . 1 1 135 135 TYR N N 135 114.745 114.745 118.238 -3.493 19079 9645 1 13 . 1 1 135 135 TYR HA H 135 4.420 4.420 4.563 -0.143 19079 9646 1 13 . 1 1 135 135 TYR C C 135 175.146 175.146 174.756 0.390 19079 9647 1 13 . 1 1 135 135 TYR CA C 135 57.322 57.322 57.666 -0.344 19079 9648 1 13 . 1 1 135 135 TYR CB C 135 39.549 39.549 38.245 1.304 19079 9649 1 13 . 1 1 135 135 TYR H H 135 7.419 7.419 7.711 -0.292 19079 9650 1 13 . 1 1 136 136 ASN N N 136 119.088 119.088 114.812 4.276 19079 9651 1 13 . 1 1 136 136 ASN HA H 136 4.622 4.622 5.038 -0.416 19079 9652 1 13 . 1 1 136 136 ASN C C 136 175.650 175.650 174.280 1.370 19079 9653 1 13 . 1 1 136 136 ASN CA C 136 53.601 53.601 51.592 2.009 19079 9654 1 13 . 1 1 136 136 ASN CB C 136 38.741 38.741 41.439 -2.698 19079 9655 1 13 . 1 1 136 136 ASN H H 136 7.245 7.245 7.668 -0.423 19079 9656 1 13 . 1 1 137 137 ILE N N 137 126.031 126.031 121.251 4.780 19079 9657 1 13 . 1 1 137 137 ILE HA H 137 4.135 4.135 4.156 -0.021 19079 9658 1 13 . 1 1 137 137 ILE C C 137 175.636 175.636 176.247 -0.611 19079 9659 1 13 . 1 1 137 137 ILE CA C 137 61.215 61.215 60.427 0.788 19079 9660 1 13 . 1 1 137 137 ILE CB C 137 38.380 38.380 34.676 3.704 19079 9661 1 13 . 1 1 137 137 ILE H H 137 7.849 7.849 8.810 -0.961 19079 9662 1 13 . 1 1 138 138 LYS N N 138 125.271 125.271 123.392 1.879 19079 9663 1 13 . 1 1 138 138 LYS HA H 138 4.368 4.368 4.056 0.312 19079 9664 1 13 . 1 1 138 138 LYS C C 138 176.110 176.110 176.289 -0.179 19079 9665 1 13 . 1 1 138 138 LYS CA C 138 55.906 55.906 58.268 -2.362 19079 9666 1 13 . 1 1 138 138 LYS CB C 138 33.564 33.564 32.675 0.889 19079 9667 1 13 . 1 1 138 138 LYS H H 138 8.171 8.171 8.392 -0.221 19079 9668 1 13 . 1 1 139 139 ALA N N 139 124.226 124.226 119.374 4.852 19079 9669 1 13 . 1 1 139 139 ALA HA H 139 4.384 4.384 4.325 0.059 19079 9670 1 13 . 1 1 139 139 ALA C C 139 177.788 177.788 175.503 2.285 19079 9671 1 13 . 1 1 139 139 ALA CA C 139 52.522 52.522 51.737 0.785 19079 9672 1 13 . 1 1 139 139 ALA CB C 139 19.531 19.531 20.024 -0.493 19079 9673 1 13 . 1 1 139 139 ALA H H 139 8.207 8.207 7.426 0.781 19079 9674 1 13 . 1 1 140 140 THR N N 140 112.869 112.869 112.153 0.716 19079 9675 1 13 . 1 1 140 140 THR HA H 140 4.390 4.390 4.553 -0.163 19079 9676 1 13 . 1 1 140 140 THR C C 140 174.522 174.522 174.113 0.409 19079 9677 1 13 . 1 1 140 140 THR CA C 140 61.685 61.685 62.936 -1.251 19079 9678 1 13 . 1 1 140 140 THR CB C 140 69.961 69.961 68.629 1.332 19079 9679 1 13 . 1 1 140 140 THR H H 140 8.094 8.094 7.893 0.201 19079 9680 1 13 . 1 1 141 141 SER N N 141 118.138 118.138 115.338 2.800 19079 9681 1 13 . 1 1 141 141 SER HA H 141 4.500 4.500 4.648 -0.148 19079 9682 1 13 . 1 1 141 141 SER C C 141 173.503 173.503 175.008 -1.505 19079 9683 1 13 . 1 1 141 141 SER CA C 141 58.315 58.315 58.448 -0.133 19079 9684 1 13 . 1 1 141 141 SER CB C 141 64.039 64.039 64.234 -0.195 19079 9685 1 13 . 1 1 141 141 SER H H 141 8.209 8.209 8.394 -0.185 19079 9686 1 14 . 1 1 2 2 PRO HA H 2 4.360 4.360 4.461 -0.101 19079 9687 1 14 . 1 1 2 2 PRO C C 2 178.185 178.185 176.962 1.223 19079 9688 1 14 . 1 1 2 2 PRO CA C 2 65.722 65.722 62.999 2.723 19079 9689 1 14 . 1 1 2 2 PRO CB C 2 33.078 33.078 32.326 0.752 19079 9690 1 14 . 1 1 3 3 SER N N 3 112.403 112.403 115.848 -3.445 19079 9691 1 14 . 1 1 3 3 SER HA H 3 3.136 3.136 4.358 -1.222 19079 9692 1 14 . 1 1 3 3 SER C C 3 172.101 172.101 173.405 -1.304 19079 9693 1 14 . 1 1 3 3 SER CA C 3 57.421 57.421 58.518 -1.097 19079 9694 1 14 . 1 1 3 3 SER CB C 3 62.812 62.812 62.929 -0.117 19079 9695 1 14 . 1 1 3 3 SER H H 3 8.494 8.494 8.262 0.232 19079 9696 1 14 . 1 1 4 4 ASP N N 4 119.024 119.024 120.133 -1.109 19079 9697 1 14 . 1 1 4 4 ASP HA H 4 4.438 4.438 4.809 -0.371 19079 9698 1 14 . 1 1 4 4 ASP C C 4 177.371 177.371 175.086 2.285 19079 9699 1 14 . 1 1 4 4 ASP CA C 4 54.800 54.800 53.264 1.536 19079 9700 1 14 . 1 1 4 4 ASP CB C 4 41.495 41.495 40.639 0.856 19079 9701 1 14 . 1 1 4 4 ASP H H 4 6.841 6.841 8.273 -1.432 19079 9702 1 14 . 1 1 5 5 LEU N N 5 129.426 129.426 124.860 4.566 19079 9703 1 14 . 1 1 5 5 LEU HA H 5 4.526 4.526 4.585 -0.059 19079 9704 1 14 . 1 1 5 5 LEU C C 5 176.246 176.246 175.927 0.319 19079 9705 1 14 . 1 1 5 5 LEU CA C 5 54.010 54.010 54.785 -0.775 19079 9706 1 14 . 1 1 5 5 LEU CB C 5 40.690 40.690 43.978 -3.288 19079 9707 1 14 . 1 1 5 5 LEU H H 5 8.781 8.781 8.410 0.371 19079 9708 1 14 . 1 1 6 6 PHE HA H 6 4.842 4.842 4.790 0.052 19079 9709 1 14 . 1 1 6 6 PHE C C 6 174.584 174.584 173.110 1.474 19079 9710 1 14 . 1 1 6 6 PHE CA C 6 56.782 56.782 56.537 0.245 19079 9711 1 14 . 1 1 6 6 PHE CB C 6 39.576 39.576 40.563 -0.987 19079 9712 1 14 . 1 1 7 7 VAL N N 7 118.923 118.923 120.639 -1.716 19079 9713 1 14 . 1 1 7 7 VAL HA H 7 4.528 4.528 4.244 0.284 19079 9714 1 14 . 1 1 7 7 VAL C C 7 173.989 173.989 174.018 -0.029 19079 9715 1 14 . 1 1 7 7 VAL CA C 7 61.571 61.571 60.384 1.187 19079 9716 1 14 . 1 1 7 7 VAL CB C 7 34.826 34.826 35.309 -0.483 19079 9717 1 14 . 1 1 7 7 VAL H H 7 8.586 8.586 8.419 0.167 19079 9718 1 14 . 1 1 8 8 HIS N N 8 132.990 132.990 123.703 9.287 19079 9719 1 14 . 1 1 8 8 HIS HA H 8 5.997 5.997 5.476 0.521 19079 9720 1 14 . 1 1 8 8 HIS C C 8 174.184 174.184 174.894 -0.710 19079 9721 1 14 . 1 1 8 8 HIS CA C 8 53.113 53.113 53.511 -0.398 19079 9722 1 14 . 1 1 8 8 HIS CB C 8 33.889 33.889 30.968 2.921 19079 9723 1 14 . 1 1 8 8 HIS H H 8 10.809 10.809 8.296 2.513 19079 9724 1 14 . 1 1 9 9 THR N N 9 118.112 118.112 118.359 -0.247 19079 9725 1 14 . 1 1 9 9 THR HA H 9 5.343 5.343 4.619 0.724 19079 9726 1 14 . 1 1 9 9 THR C C 9 175.788 175.788 174.911 0.877 19079 9727 1 14 . 1 1 9 9 THR CA C 9 59.768 59.768 61.215 -1.446 19079 9728 1 14 . 1 1 9 9 THR CB C 9 70.673 70.673 68.768 1.905 19079 9729 1 14 . 1 1 9 9 THR H H 9 9.512 9.512 9.030 0.482 19079 9730 1 14 . 1 1 10 10 GLU N N 10 117.927 117.927 126.013 -8.086 19079 9731 1 14 . 1 1 10 10 GLU HA H 10 4.096 4.096 3.739 0.357 19079 9732 1 14 . 1 1 10 10 GLU C C 10 176.321 176.321 177.083 -0.762 19079 9733 1 14 . 1 1 10 10 GLU CA C 10 59.900 59.900 59.749 0.151 19079 9734 1 14 . 1 1 10 10 GLU CB C 10 29.983 29.983 27.835 2.148 19079 9735 1 14 . 1 1 10 10 GLU H H 10 8.812 8.812 9.275 -0.463 19079 9736 1 14 . 1 1 11 11 GLN N N 11 110.877 110.877 119.837 -8.960 19079 9737 1 14 . 1 1 11 11 GLN HA H 11 4.621 4.621 4.619 0.002 19079 9738 1 14 . 1 1 11 11 GLN C C 11 175.391 175.391 173.518 1.873 19079 9739 1 14 . 1 1 11 11 GLN CA C 11 56.071 56.071 55.099 0.972 19079 9740 1 14 . 1 1 11 11 GLN CB C 11 31.963 31.963 31.239 0.724 19079 9741 1 14 . 1 1 11 11 GLN H H 11 7.797 7.797 8.388 -0.591 19079 9742 1 14 . 1 1 12 12 ALA N N 12 122.143 122.143 122.854 -0.711 19079 9743 1 14 . 1 1 12 12 ALA HA H 12 5.049 5.049 5.386 -0.337 19079 9744 1 14 . 1 1 12 12 ALA C C 12 174.293 174.293 175.605 -1.312 19079 9745 1 14 . 1 1 12 12 ALA CA C 12 51.943 51.943 50.095 1.848 19079 9746 1 14 . 1 1 12 12 ALA CB C 12 23.177 23.177 21.846 1.331 19079 9747 1 14 . 1 1 12 12 ALA H H 12 7.814 7.814 8.253 -0.439 19079 9748 1 14 . 1 1 13 13 ILE N N 13 119.589 119.589 125.731 -6.142 19079 9749 1 14 . 1 1 13 13 ILE HA H 13 5.399 5.399 4.791 0.608 19079 9750 1 14 . 1 1 13 13 ILE C C 13 174.295 174.295 175.003 -0.708 19079 9751 1 14 . 1 1 13 13 ILE CA C 13 60.102 60.102 59.860 0.242 19079 9752 1 14 . 1 1 13 13 ILE CB C 13 41.080 41.080 38.513 2.567 19079 9753 1 14 . 1 1 13 13 ILE H H 13 9.206 9.206 8.618 0.588 19079 9754 1 14 . 1 1 14 14 TYR N N 14 127.337 127.337 130.111 -2.774 19079 9755 1 14 . 1 1 14 14 TYR HA H 14 4.853 4.853 4.970 -0.117 19079 9756 1 14 . 1 1 14 14 TYR C C 14 172.793 172.793 174.990 -2.197 19079 9757 1 14 . 1 1 14 14 TYR CA C 14 56.784 56.784 57.133 -0.349 19079 9758 1 14 . 1 1 14 14 TYR CB C 14 39.797 39.797 39.353 0.444 19079 9759 1 14 . 1 1 14 14 TYR H H 14 9.794 9.794 8.785 1.009 19079 9760 1 14 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.715 -0.343 19079 9761 1 14 . 1 1 15 15 LYS CA C 15 55.924 55.924 54.434 1.490 19079 9762 1 14 . 1 1 15 15 LYS CB C 15 33.563 33.563 35.907 -2.344 19079 9763 1 14 . 1 1 15 15 LYS H H 15 7.550 7.550 8.173 -0.623 19079 9764 1 14 . 1 1 16 16 ASN N N 16 107.943 107.943 118.860 -10.917 19079 9765 1 14 . 1 1 16 16 ASN HA H 16 5.098 5.098 4.455 0.643 19079 9766 1 14 . 1 1 16 16 ASN C C 16 176.475 176.475 176.679 -0.204 19079 9767 1 14 . 1 1 16 16 ASN CA C 16 54.072 54.072 54.528 -0.456 19079 9768 1 14 . 1 1 16 16 ASN CB C 16 38.619 38.619 38.309 0.310 19079 9769 1 14 . 1 1 16 16 ASN H H 16 8.156 8.156 8.867 -0.711 19079 9770 1 14 . 1 1 17 17 ALA N N 17 127.319 127.319 128.759 -1.440 19079 9771 1 14 . 1 1 17 17 ALA HA H 17 3.608 3.608 4.302 -0.694 19079 9772 1 14 . 1 1 17 17 ALA C C 17 180.081 180.081 178.663 1.418 19079 9773 1 14 . 1 1 17 17 ALA CA C 17 54.282 54.282 54.590 -0.308 19079 9774 1 14 . 1 1 17 17 ALA CB C 17 17.646 17.646 19.104 -1.458 19079 9775 1 14 . 1 1 17 17 ALA H H 17 7.573 7.573 8.533 -0.960 19079 9776 1 14 . 1 1 18 18 HIS N N 18 108.625 108.625 116.225 -7.600 19079 9777 1 14 . 1 1 18 18 HIS HA H 18 4.504 4.504 4.258 0.246 19079 9778 1 14 . 1 1 18 18 HIS C C 18 174.182 174.182 176.152 -1.970 19079 9779 1 14 . 1 1 18 18 HIS CA C 18 57.782 57.782 58.492 -0.710 19079 9780 1 14 . 1 1 18 18 HIS CB C 18 26.798 26.798 28.899 -2.102 19079 9781 1 14 . 1 1 18 18 HIS H H 18 8.118 8.118 7.486 0.632 19079 9782 1 14 . 1 1 19 19 LEU N N 19 117.682 117.682 117.258 0.424 19079 9783 1 14 . 1 1 19 19 LEU HA H 19 4.444 4.444 4.312 0.132 19079 9784 1 14 . 1 1 19 19 LEU C C 19 175.795 175.795 176.718 -0.923 19079 9785 1 14 . 1 1 19 19 LEU CA C 19 53.309 53.309 55.020 -1.711 19079 9786 1 14 . 1 1 19 19 LEU CB C 19 42.366 42.366 42.148 0.218 19079 9787 1 14 . 1 1 19 19 LEU H H 19 6.677 6.677 7.563 -0.886 19079 9788 1 14 . 1 1 20 20 THR N N 20 116.187 116.187 109.336 6.851 19079 9789 1 14 . 1 1 20 20 THR HA H 20 4.700 4.700 4.369 0.331 19079 9790 1 14 . 1 1 20 20 THR C C 20 171.105 171.105 174.759 -3.654 19079 9791 1 14 . 1 1 20 20 THR CA C 20 58.570 58.570 62.139 -3.570 19079 9792 1 14 . 1 1 20 20 THR CB C 20 69.724 69.724 70.215 -0.491 19079 9793 1 14 . 1 1 20 20 THR H H 20 7.399 7.399 7.292 0.107 19079 9794 1 14 . 1 1 21 21 THR N N 21 114.194 114.194 119.891 -5.697 19079 9795 1 14 . 1 1 21 21 THR HA H 21 5.124 5.124 4.077 1.047 19079 9796 1 14 . 1 1 21 21 THR CA C 21 58.991 58.991 62.306 -3.316 19079 9797 1 14 . 1 1 21 21 THR CB C 21 71.564 71.564 68.606 2.958 19079 9798 1 14 . 1 1 21 21 THR H H 21 8.410 8.410 7.914 0.496 19079 9799 1 14 . 1 1 22 22 PRO HA H 22 4.432 4.432 4.474 -0.042 19079 9800 1 14 . 1 1 22 22 PRO C C 22 175.895 175.895 177.132 -1.237 19079 9801 1 14 . 1 1 22 22 PRO CA C 22 63.390 63.390 62.565 0.825 19079 9802 1 14 . 1 1 22 22 PRO CB C 22 32.203 32.203 32.243 -0.040 19079 9803 1 14 . 1 1 23 23 ASN N N 23 119.233 119.233 117.708 1.525 19079 9804 1 14 . 1 1 23 23 ASN HA H 23 5.032 5.032 4.468 0.564 19079 9805 1 14 . 1 1 23 23 ASN C C 23 175.963 175.963 175.141 0.822 19079 9806 1 14 . 1 1 23 23 ASN CA C 23 52.452 52.452 54.966 -2.514 19079 9807 1 14 . 1 1 23 23 ASN CB C 23 41.420 41.420 38.117 3.303 19079 9808 1 14 . 1 1 23 23 ASN H H 23 9.227 9.227 8.471 0.756 19079 9809 1 14 . 1 1 24 24 ASP N N 24 119.074 119.074 113.939 5.135 19079 9810 1 14 . 1 1 24 24 ASP HA H 24 4.417 4.417 4.634 -0.217 19079 9811 1 14 . 1 1 24 24 ASP C C 24 176.983 176.983 175.185 1.798 19079 9812 1 14 . 1 1 24 24 ASP CA C 24 56.942 56.942 54.453 2.489 19079 9813 1 14 . 1 1 24 24 ASP CB C 24 40.266 40.266 39.803 0.463 19079 9814 1 14 . 1 1 24 24 ASP H H 24 8.649 8.649 8.122 0.527 19079 9815 1 14 . 1 1 25 25 GLN N N 25 116.580 116.580 118.947 -2.367 19079 9816 1 14 . 1 1 25 25 GLN HA H 25 4.425 4.425 4.520 -0.095 19079 9817 1 14 . 1 1 25 25 GLN C C 25 177.373 177.373 175.348 2.025 19079 9818 1 14 . 1 1 25 25 GLN CA C 25 55.419 55.419 55.251 0.168 19079 9819 1 14 . 1 1 25 25 GLN CB C 25 28.933 28.933 29.076 -0.143 19079 9820 1 14 . 1 1 25 25 GLN H H 25 9.028 9.028 8.631 0.397 19079 9821 1 14 . 1 1 26 26 THR N N 26 122.196 122.196 108.835 13.361 19079 9822 1 14 . 1 1 26 26 THR HA H 26 4.779 4.779 4.599 0.180 19079 9823 1 14 . 1 1 26 26 THR C C 26 174.583 174.583 174.285 0.298 19079 9824 1 14 . 1 1 26 26 THR CA C 26 65.218 65.218 61.410 3.808 19079 9825 1 14 . 1 1 26 26 THR CB C 26 68.963 68.963 70.195 -1.232 19079 9826 1 14 . 1 1 26 26 THR H H 26 7.692 7.692 7.504 0.188 19079 9827 1 14 . 1 1 27 27 ILE N N 27 129.367 129.367 119.050 10.317 19079 9828 1 14 . 1 1 27 27 ILE HA H 27 4.112 4.112 4.378 -0.266 19079 9829 1 14 . 1 1 27 27 ILE C C 27 175.734 175.734 175.199 0.535 19079 9830 1 14 . 1 1 27 27 ILE CA C 27 62.558 62.558 62.041 0.517 19079 9831 1 14 . 1 1 27 27 ILE CB C 27 40.357 40.357 40.215 0.142 19079 9832 1 14 . 1 1 27 27 ILE H H 27 9.785 9.785 8.468 1.317 19079 9833 1 14 . 1 1 28 28 LEU N N 28 120.773 120.773 122.152 -1.379 19079 9834 1 14 . 1 1 28 28 LEU HA H 28 4.506 4.506 4.638 -0.132 19079 9835 1 14 . 1 1 28 28 LEU C C 28 173.083 173.083 174.387 -1.304 19079 9836 1 14 . 1 1 28 28 LEU CA C 28 55.337 55.337 55.197 0.140 19079 9837 1 14 . 1 1 28 28 LEU CB C 28 45.942 45.942 44.814 1.128 19079 9838 1 14 . 1 1 28 28 LEU H H 28 7.814 7.814 7.454 0.360 19079 9839 1 14 . 1 1 29 29 LEU N N 29 128.285 128.285 123.644 4.641 19079 9840 1 14 . 1 1 29 29 LEU HA H 29 4.798 4.798 5.185 -0.387 19079 9841 1 14 . 1 1 29 29 LEU C C 29 174.589 174.589 175.562 -0.973 19079 9842 1 14 . 1 1 29 29 LEU CA C 29 54.133 54.133 53.595 0.538 19079 9843 1 14 . 1 1 29 29 LEU CB C 29 43.909 43.909 45.868 -1.959 19079 9844 1 14 . 1 1 29 29 LEU H H 29 8.653 8.653 7.919 0.734 19079 9845 1 14 . 1 1 30 30 ALA N N 30 132.532 132.532 125.067 7.465 19079 9846 1 14 . 1 1 30 30 ALA HA H 30 4.995 4.995 4.816 0.179 19079 9847 1 14 . 1 1 30 30 ALA C C 30 177.994 177.994 176.905 1.089 19079 9848 1 14 . 1 1 30 30 ALA CA C 30 49.621 49.621 50.742 -1.121 19079 9849 1 14 . 1 1 30 30 ALA CB C 30 18.022 18.022 20.071 -2.049 19079 9850 1 14 . 1 1 30 30 ALA H H 30 9.179 9.179 8.961 0.218 19079 9851 1 14 . 1 1 31 31 LEU N N 31 126.651 126.651 124.365 2.286 19079 9852 1 14 . 1 1 31 31 LEU HA H 31 4.619 4.619 4.156 0.463 19079 9853 1 14 . 1 1 31 31 LEU CA C 31 59.032 59.032 57.227 1.805 19079 9854 1 14 . 1 1 31 31 LEU CB C 31 41.356 41.356 40.518 0.838 19079 9855 1 14 . 1 1 31 31 LEU H H 31 8.828 8.828 9.248 -0.420 19079 9856 1 14 . 1 1 32 32 THR HA H 32 4.283 4.283 4.186 0.097 19079 9857 1 14 . 1 1 32 32 THR C C 32 173.341 173.341 174.855 -1.514 19079 9858 1 14 . 1 1 32 32 THR CA C 32 63.443 63.443 65.399 -1.956 19079 9859 1 14 . 1 1 32 32 THR CB C 32 68.639 68.639 68.871 -0.232 19079 9860 1 14 . 1 1 32 32 THR H H 32 8.105 8.105 8.255 -0.150 19079 9861 1 14 . 1 1 33 33 ALA N N 33 122.960 122.960 118.705 4.255 19079 9862 1 14 . 1 1 33 33 ALA HA H 33 5.301 5.301 4.635 0.666 19079 9863 1 14 . 1 1 33 33 ALA C C 33 175.467 175.467 176.400 -0.933 19079 9864 1 14 . 1 1 33 33 ALA CA C 33 50.782 50.782 50.917 -0.135 19079 9865 1 14 . 1 1 33 33 ALA CB C 33 20.256 20.256 20.320 -0.063 19079 9866 1 14 . 1 1 33 33 ALA H H 33 7.328 7.328 7.660 -0.332 19079 9867 1 14 . 1 1 34 34 ASP N N 34 115.713 115.713 117.817 -2.104 19079 9868 1 14 . 1 1 34 34 ASP HA H 34 4.194 4.194 4.445 -0.251 19079 9869 1 14 . 1 1 34 34 ASP C C 34 175.750 175.750 175.270 0.480 19079 9870 1 14 . 1 1 34 34 ASP CA C 34 55.269 55.269 55.803 -0.534 19079 9871 1 14 . 1 1 34 34 ASP CB C 34 40.525 40.525 40.730 -0.205 19079 9872 1 14 . 1 1 34 34 ASP H H 34 7.927 7.927 7.943 -0.016 19079 9873 1 14 . 1 1 35 35 LEU N N 35 119.485 119.485 119.516 -0.031 19079 9874 1 14 . 1 1 35 35 LEU HA H 35 5.102 5.102 4.675 0.427 19079 9875 1 14 . 1 1 35 35 LEU C C 35 173.060 173.060 174.805 -1.745 19079 9876 1 14 . 1 1 35 35 LEU CA C 35 54.268 54.268 54.274 -0.006 19079 9877 1 14 . 1 1 35 35 LEU CB C 35 47.326 47.326 43.784 3.542 19079 9878 1 14 . 1 1 35 35 LEU H H 35 7.820 7.820 7.659 0.161 19079 9879 1 14 . 1 1 36 36 GLN N N 36 127.748 127.748 125.121 2.627 19079 9880 1 14 . 1 1 36 36 GLN HA H 36 4.790 4.790 4.718 0.072 19079 9881 1 14 . 1 1 36 36 GLN C C 36 173.161 173.161 173.850 -0.689 19079 9882 1 14 . 1 1 36 36 GLN CA C 36 55.286 55.286 54.044 1.242 19079 9883 1 14 . 1 1 36 36 GLN CB C 36 32.594 32.594 32.877 -0.282 19079 9884 1 14 . 1 1 36 36 GLN H H 36 9.050 9.050 8.327 0.723 19079 9885 1 14 . 1 1 37 37 ILE N N 37 125.606 125.606 122.457 3.149 19079 9886 1 14 . 1 1 37 37 ILE HA H 37 4.807 4.807 4.825 -0.018 19079 9887 1 14 . 1 1 37 37 ILE C C 37 174.921 174.921 174.261 0.660 19079 9888 1 14 . 1 1 37 37 ILE CA C 37 59.869 59.869 59.476 0.393 19079 9889 1 14 . 1 1 37 37 ILE CB C 37 39.750 39.750 41.279 -1.529 19079 9890 1 14 . 1 1 37 37 ILE H H 37 8.828 8.828 8.363 0.465 19079 9891 1 14 . 1 1 38 38 ASP N N 38 128.163 128.163 124.189 3.974 19079 9892 1 14 . 1 1 38 38 ASP HA H 38 5.259 5.259 5.037 0.222 19079 9893 1 14 . 1 1 38 38 ASP C C 38 176.122 176.122 175.024 1.098 19079 9894 1 14 . 1 1 38 38 ASP CA C 38 52.316 52.316 51.825 0.491 19079 9895 1 14 . 1 1 38 38 ASP CB C 38 43.251 43.251 45.231 -1.980 19079 9896 1 14 . 1 1 38 38 ASP H H 38 9.226 9.226 8.352 0.874 19079 9897 1 14 . 1 1 39 39 GLY N N 39 107.273 107.273 106.495 0.778 19079 9898 1 14 . 1 1 39 39 GLY C C 39 171.808 171.808 173.335 -1.527 19079 9899 1 14 . 1 1 39 39 GLY CA C 39 45.108 45.108 44.238 0.870 19079 9900 1 14 . 1 1 39 39 GLY H H 39 8.682 8.682 8.474 0.208 19079 9901 1 14 . 1 1 40 40 CYS N N 40 114.602 114.602 119.853 -5.251 19079 9902 1 14 . 1 1 40 40 CYS HA H 40 4.832 4.832 4.760 0.072 19079 9903 1 14 . 1 1 40 40 CYS CA C 40 55.517 55.517 58.763 -3.245 19079 9904 1 14 . 1 1 40 40 CYS CB C 40 30.872 30.872 30.779 0.094 19079 9905 1 14 . 1 1 40 40 CYS H H 40 7.784 7.784 8.169 -0.385 19079 9906 1 14 . 1 1 41 41 ASP N N 41 121.388 121.388 124.238 -2.850 19079 9907 1 14 . 1 1 41 41 ASP HA H 41 4.618 4.618 4.563 0.055 19079 9908 1 14 . 1 1 41 41 ASP CA C 41 54.808 54.808 55.859 -1.051 19079 9909 1 14 . 1 1 41 41 ASP CB C 41 41.299 41.299 41.418 -0.119 19079 9910 1 14 . 1 1 41 41 ASP H H 41 8.496 8.496 8.646 -0.150 19079 9911 1 14 . 1 1 42 42 GLN N N 42 118.506 118.506 119.304 -0.798 19079 9912 1 14 . 1 1 42 42 GLN HA H 42 4.900 4.900 4.565 0.335 19079 9913 1 14 . 1 1 42 42 GLN CA C 42 52.529 52.529 53.387 -0.858 19079 9914 1 14 . 1 1 42 42 GLN CB C 42 30.580 30.580 29.403 1.177 19079 9915 1 14 . 1 1 42 42 GLN H H 42 7.592 7.592 8.135 -0.543 19079 9916 1 14 . 1 1 43 43 PRO HA H 43 4.438 4.438 4.342 0.096 19079 9917 1 14 . 1 1 43 43 PRO CA C 43 63.283 63.283 62.686 0.597 19079 9918 1 14 . 1 1 43 43 PRO CB C 43 32.178 32.178 32.298 -0.120 19079 9919 1 14 . 1 1 44 44 GLY N N 44 109.062 109.062 111.933 -2.871 19079 9920 1 14 . 1 1 44 44 GLY CA C 44 45.265 45.265 43.568 1.697 19079 9921 1 14 . 1 1 44 44 GLY H H 44 8.249 8.249 8.147 0.102 19079 9922 1 14 . 1 1 45 45 PRO HA H 45 4.535 4.535 4.596 -0.061 19079 9923 1 14 . 1 1 45 45 PRO CA C 45 63.511 63.511 63.340 0.171 19079 9924 1 14 . 1 1 45 45 PRO CB C 45 33.193 33.193 32.561 0.632 19079 9925 1 14 . 1 1 46 46 ASP N N 46 121.254 121.254 121.568 -0.314 19079 9926 1 14 . 1 1 46 46 ASP HA H 46 4.784 4.784 4.574 0.210 19079 9927 1 14 . 1 1 46 46 ASP C C 46 174.555 174.555 175.212 -0.657 19079 9928 1 14 . 1 1 46 46 ASP CA C 46 55.268 55.268 54.591 0.677 19079 9929 1 14 . 1 1 46 46 ASP CB C 46 43.360 43.360 41.930 1.430 19079 9930 1 14 . 1 1 46 46 ASP H H 46 8.533 8.533 8.553 -0.020 19079 9931 1 14 . 1 1 47 47 ASN N N 47 118.452 118.452 120.448 -1.996 19079 9932 1 14 . 1 1 47 47 ASN HA H 47 4.912 4.912 4.302 0.610 19079 9933 1 14 . 1 1 47 47 ASN C C 47 172.394 172.394 174.066 -1.672 19079 9934 1 14 . 1 1 47 47 ASN CA C 47 52.877 52.877 53.617 -0.740 19079 9935 1 14 . 1 1 47 47 ASN CB C 47 42.185 42.185 38.099 4.086 19079 9936 1 14 . 1 1 47 47 ASN H H 47 8.668 8.668 8.447 0.221 19079 9937 1 14 . 1 1 48 48 ILE N N 48 126.910 126.910 122.064 4.846 19079 9938 1 14 . 1 1 48 48 ILE HA H 48 5.269 5.269 3.948 1.321 19079 9939 1 14 . 1 1 48 48 ILE CA C 48 57.457 57.457 60.758 -3.300 19079 9940 1 14 . 1 1 48 48 ILE CB C 48 39.411 39.411 37.912 1.499 19079 9941 1 14 . 1 1 48 48 ILE H H 48 8.377 8.377 8.360 0.017 19079 9942 1 14 . 1 1 49 49 PRO HA H 49 4.571 4.571 4.430 0.141 19079 9943 1 14 . 1 1 49 49 PRO CA C 49 62.019 62.019 62.432 -0.413 19079 9944 1 14 . 1 1 49 49 PRO CB C 49 34.068 34.068 32.596 1.472 19079 9945 1 14 . 1 1 50 50 ASP N N 50 117.512 117.512 118.512 -1.000 19079 9946 1 14 . 1 1 50 50 ASP HA H 50 4.847 4.847 4.783 0.064 19079 9947 1 14 . 1 1 50 50 ASP C C 50 175.105 175.105 175.572 -0.467 19079 9948 1 14 . 1 1 50 50 ASP CA C 50 52.186 52.186 53.938 -1.752 19079 9949 1 14 . 1 1 50 50 ASP CB C 50 40.206 40.206 40.810 -0.604 19079 9950 1 14 . 1 1 50 50 ASP H H 50 7.928 7.928 8.633 -0.705 19079 9951 1 14 . 1 1 51 51 CYS N N 51 117.841 117.841 120.008 -2.167 19079 9952 1 14 . 1 1 51 51 CYS HA H 51 4.645 4.645 4.732 -0.087 19079 9953 1 14 . 1 1 51 51 CYS C C 51 173.952 173.952 173.758 0.194 19079 9954 1 14 . 1 1 51 51 CYS CA C 51 57.079 57.079 57.476 -0.397 19079 9955 1 14 . 1 1 51 51 CYS CB C 51 31.834 31.834 29.444 2.390 19079 9956 1 14 . 1 1 51 51 CYS H H 51 6.998 6.998 7.972 -0.974 19079 9957 1 14 . 1 1 52 52 ASP N N 52 113.831 113.831 124.589 -10.758 19079 9958 1 14 . 1 1 52 52 ASP HA H 52 4.790 4.790 4.586 0.204 19079 9959 1 14 . 1 1 52 52 ASP C C 52 177.522 177.522 176.242 1.280 19079 9960 1 14 . 1 1 52 52 ASP CA C 52 52.266 52.266 54.937 -2.671 19079 9961 1 14 . 1 1 52 52 ASP CB C 52 41.108 41.108 41.035 0.073 19079 9962 1 14 . 1 1 52 52 ASP H H 52 7.839 7.839 8.609 -0.770 19079 9963 1 14 . 1 1 53 53 CYS N N 53 120.924 120.924 116.708 4.216 19079 9964 1 14 . 1 1 53 53 CYS HA H 53 4.176 4.176 4.142 0.034 19079 9965 1 14 . 1 1 53 53 CYS C C 53 177.320 177.320 175.065 2.255 19079 9966 1 14 . 1 1 53 53 CYS CA C 53 62.456 62.456 60.739 1.717 19079 9967 1 14 . 1 1 53 53 CYS CB C 53 31.077 31.077 27.227 3.850 19079 9968 1 14 . 1 1 53 53 CYS H H 53 8.180 8.180 8.062 0.118 19079 9969 1 14 . 1 1 54 54 THR N N 54 108.381 108.381 110.449 -2.068 19079 9970 1 14 . 1 1 54 54 THR HA H 54 4.168 4.168 4.591 -0.423 19079 9971 1 14 . 1 1 54 54 THR C C 54 172.044 172.044 173.978 -1.934 19079 9972 1 14 . 1 1 54 54 THR CA C 54 60.645 60.645 63.046 -2.401 19079 9973 1 14 . 1 1 54 54 THR CB C 54 69.425 69.425 70.137 -0.712 19079 9974 1 14 . 1 1 54 54 THR H H 54 8.728 8.728 8.275 0.453 19079 9975 1 14 . 1 1 55 55 SER N N 55 114.465 114.465 118.394 -3.929 19079 9976 1 14 . 1 1 55 55 SER HA H 55 4.906 4.906 5.324 -0.418 19079 9977 1 14 . 1 1 55 55 SER C C 55 172.897 172.897 174.581 -1.684 19079 9978 1 14 . 1 1 55 55 SER CA C 55 56.279 56.279 56.597 -0.319 19079 9979 1 14 . 1 1 55 55 SER CB C 55 66.156 66.156 64.548 1.608 19079 9980 1 14 . 1 1 55 55 SER H H 55 7.433 7.433 7.859 -0.426 19079 9981 1 14 . 1 1 56 56 GLY N N 56 106.492 106.492 111.168 -4.676 19079 9982 1 14 . 1 1 56 56 GLY C C 56 172.400 172.400 172.387 0.013 19079 9983 1 14 . 1 1 56 56 GLY CA C 56 46.778 46.778 43.737 3.041 19079 9984 1 14 . 1 1 56 56 GLY H H 56 8.431 8.431 8.583 -0.152 19079 9985 1 14 . 1 1 57 57 CYS N N 57 123.907 123.907 117.007 6.900 19079 9986 1 14 . 1 1 57 57 CYS HA H 57 5.755 5.755 5.702 0.053 19079 9987 1 14 . 1 1 57 57 CYS C C 57 171.012 171.012 173.252 -2.240 19079 9988 1 14 . 1 1 57 57 CYS CA C 57 54.317 54.317 57.142 -2.825 19079 9989 1 14 . 1 1 57 57 CYS CB C 57 32.040 32.040 30.400 1.640 19079 9990 1 14 . 1 1 57 57 CYS H H 57 9.782 9.782 8.700 1.082 19079 9991 1 14 . 1 1 58 58 TYR N N 58 121.251 121.251 122.697 -1.446 19079 9992 1 14 . 1 1 58 58 TYR HA H 58 6.413 6.413 5.706 0.707 19079 9993 1 14 . 1 1 58 58 TYR C C 58 172.177 172.177 173.540 -1.363 19079 9994 1 14 . 1 1 58 58 TYR CA C 58 54.179 54.179 54.228 -0.049 19079 9995 1 14 . 1 1 58 58 TYR CB C 58 44.751 44.751 41.742 3.009 19079 9996 1 14 . 1 1 58 58 TYR H H 58 9.324 9.324 8.916 0.408 19079 9997 1 14 . 1 1 59 59 TYR N N 59 119.921 119.921 125.353 -5.432 19079 9998 1 14 . 1 1 59 59 TYR HA H 59 3.155 3.155 3.524 -0.369 19079 9999 1 14 . 1 1 59 59 TYR C C 59 173.490 173.490 174.124 -0.634 19079 10000 1 14 . 1 1 59 59 TYR CA C 59 56.439 56.439 57.035 -0.596 19079 10001 1 14 . 1 1 59 59 TYR CB C 59 38.280 38.280 37.347 0.932 19079 10002 1 14 . 1 1 59 59 TYR H H 59 7.851 7.851 7.626 0.225 19079 10003 1 14 . 1 1 60 60 SER N N 60 122.333 122.333 122.613 -0.280 19079 10004 1 14 . 1 1 60 60 SER HA H 60 4.286 4.286 4.195 0.091 19079 10005 1 14 . 1 1 60 60 SER C C 60 174.282 174.282 174.900 -0.618 19079 10006 1 14 . 1 1 60 60 SER CA C 60 54.201 54.201 56.776 -2.575 19079 10007 1 14 . 1 1 60 60 SER CB C 60 63.429 63.429 63.741 -0.312 19079 10008 1 14 . 1 1 60 60 SER H H 60 7.184 7.184 7.850 -0.666 19079 10009 1 14 . 1 1 61 61 ARG N N 61 131.876 131.876 128.465 3.411 19079 10010 1 14 . 1 1 61 61 ARG HA H 61 3.755 3.755 3.927 -0.172 19079 10011 1 14 . 1 1 61 61 ARG C C 61 179.454 179.454 177.635 1.819 19079 10012 1 14 . 1 1 61 61 ARG CA C 61 58.733 58.733 57.391 1.342 19079 10013 1 14 . 1 1 61 61 ARG CB C 61 29.216 29.216 29.537 -0.321 19079 10014 1 14 . 1 1 61 61 ARG H H 61 9.058 9.058 8.221 0.837 19079 10015 1 14 . 1 1 62 62 SER N N 62 115.806 115.806 113.546 2.260 19079 10016 1 14 . 1 1 62 62 SER HA H 62 4.021 4.021 4.320 -0.299 19079 10017 1 14 . 1 1 62 62 SER C C 62 177.405 177.405 175.030 2.375 19079 10018 1 14 . 1 1 62 62 SER CA C 62 60.787 60.787 60.425 0.362 19079 10019 1 14 . 1 1 62 62 SER CB C 62 60.994 60.994 63.334 -2.340 19079 10020 1 14 . 1 1 62 62 SER H H 62 8.933 8.933 8.400 0.533 19079 10021 1 14 . 1 1 63 63 LEU N N 63 120.142 120.142 118.728 1.414 19079 10022 1 14 . 1 1 63 63 LEU HA H 63 4.315 4.315 4.549 -0.234 19079 10023 1 14 . 1 1 63 63 LEU C C 63 175.462 175.462 176.404 -0.942 19079 10024 1 14 . 1 1 63 63 LEU CA C 63 54.589 54.589 53.647 0.942 19079 10025 1 14 . 1 1 63 63 LEU CB C 63 41.583 41.583 42.147 -0.563 19079 10026 1 14 . 1 1 63 63 LEU H H 63 7.372 7.372 7.036 0.336 19079 10027 1 14 . 1 1 64 64 ASP N N 64 124.723 124.723 119.788 4.935 19079 10028 1 14 . 1 1 64 64 ASP HA H 64 4.308 4.308 4.129 0.179 19079 10029 1 14 . 1 1 64 64 ASP C C 64 174.405 174.405 174.618 -0.213 19079 10030 1 14 . 1 1 64 64 ASP CA C 64 54.269 54.269 55.281 -1.012 19079 10031 1 14 . 1 1 64 64 ASP CB C 64 39.892 39.892 39.801 0.091 19079 10032 1 14 . 1 1 64 64 ASP H H 64 8.122 8.122 7.673 0.449 19079 10033 1 14 . 1 1 65 65 ARG N N 65 111.932 111.932 113.426 -1.494 19079 10034 1 14 . 1 1 65 65 ARG HA H 65 4.648 4.648 4.479 0.169 19079 10035 1 14 . 1 1 65 65 ARG C C 65 172.842 172.842 174.069 -1.227 19079 10036 1 14 . 1 1 65 65 ARG CA C 65 54.327 54.327 54.844 -0.517 19079 10037 1 14 . 1 1 65 65 ARG CB C 65 33.013 33.013 31.400 1.613 19079 10038 1 14 . 1 1 65 65 ARG H H 65 7.434 7.434 7.680 -0.246 19079 10039 1 14 . 1 1 66 66 TYR N N 66 121.286 121.286 122.482 -1.196 19079 10040 1 14 . 1 1 66 66 TYR HA H 66 4.821 4.821 4.663 0.158 19079 10041 1 14 . 1 1 66 66 TYR C C 66 176.123 176.123 176.442 -0.319 19079 10042 1 14 . 1 1 66 66 TYR CA C 66 56.752 56.752 59.426 -2.674 19079 10043 1 14 . 1 1 66 66 TYR CB C 66 41.877 41.877 38.980 2.897 19079 10044 1 14 . 1 1 66 66 TYR H H 66 8.068 8.068 8.673 -0.605 19079 10045 1 14 . 1 1 67 67 ILE N N 67 119.080 119.080 120.417 -1.337 19079 10046 1 14 . 1 1 67 67 ILE HA H 67 4.620 4.620 4.811 -0.191 19079 10047 1 14 . 1 1 67 67 ILE CA C 67 57.840 57.840 57.234 0.606 19079 10048 1 14 . 1 1 67 67 ILE CB C 67 41.191 41.191 41.137 0.054 19079 10049 1 14 . 1 1 67 67 ILE H H 67 8.640 8.640 8.672 -0.032 19079 10050 1 14 . 1 1 68 68 PRO HA H 68 4.772 4.772 4.969 -0.197 19079 10051 1 14 . 1 1 68 68 PRO CA C 68 62.709 62.709 62.661 0.048 19079 10052 1 14 . 1 1 68 68 PRO CB C 68 32.923 32.923 31.177 1.746 19079 10053 1 14 . 1 1 69 69 VAL N N 69 120.668 120.668 115.836 4.832 19079 10054 1 14 . 1 1 69 69 VAL HA H 69 4.764 4.764 4.677 0.087 19079 10055 1 14 . 1 1 69 69 VAL C C 69 171.299 171.299 173.924 -2.625 19079 10056 1 14 . 1 1 69 69 VAL CA C 69 60.758 60.758 58.801 1.957 19079 10057 1 14 . 1 1 69 69 VAL CB C 69 36.158 36.158 35.863 0.295 19079 10058 1 14 . 1 1 69 69 VAL H H 69 8.866 8.866 8.731 0.135 19079 10059 1 14 . 1 1 70 70 GLU N N 70 127.352 127.352 121.610 5.742 19079 10060 1 14 . 1 1 70 70 GLU HA H 70 4.694 4.694 5.208 -0.514 19079 10061 1 14 . 1 1 70 70 GLU C C 70 176.084 176.084 175.624 0.460 19079 10062 1 14 . 1 1 70 70 GLU CA C 70 55.438 55.438 55.289 0.149 19079 10063 1 14 . 1 1 70 70 GLU CB C 70 31.941 31.941 32.148 -0.207 19079 10064 1 14 . 1 1 70 70 GLU H H 70 8.303 8.303 8.555 -0.252 19079 10065 1 14 . 1 1 71 71 CYS N N 71 118.985 118.985 124.212 -5.227 19079 10066 1 14 . 1 1 71 71 CYS HA H 71 5.283 5.283 5.076 0.207 19079 10067 1 14 . 1 1 71 71 CYS C C 71 173.987 173.987 173.598 0.389 19079 10068 1 14 . 1 1 71 71 CYS CA C 71 56.927 56.927 56.003 0.924 19079 10069 1 14 . 1 1 71 71 CYS CB C 71 32.056 32.056 31.837 0.219 19079 10070 1 14 . 1 1 71 71 CYS H H 71 8.044 8.044 9.289 -1.245 19079 10071 1 14 . 1 1 72 72 GLU N N 72 119.188 119.188 119.264 -0.076 19079 10072 1 14 . 1 1 72 72 GLU HA H 72 4.550 4.550 4.505 0.045 19079 10073 1 14 . 1 1 72 72 GLU C C 72 175.540 175.540 175.136 0.404 19079 10074 1 14 . 1 1 72 72 GLU CA C 72 54.422 54.422 53.909 0.513 19079 10075 1 14 . 1 1 72 72 GLU CB C 72 32.723 32.723 30.992 1.731 19079 10076 1 14 . 1 1 72 72 GLU H H 72 8.651 8.651 8.718 -0.067 19079 10077 1 14 . 1 1 73 73 ALA N N 73 128.127 128.127 127.247 0.880 19079 10078 1 14 . 1 1 73 73 ALA HA H 73 4.894 4.894 4.019 0.875 19079 10079 1 14 . 1 1 73 73 ALA C C 73 177.065 177.065 176.780 0.285 19079 10080 1 14 . 1 1 73 73 ALA CA C 73 51.934 51.934 52.615 -0.681 19079 10081 1 14 . 1 1 73 73 ALA CB C 73 19.744 19.744 19.120 0.624 19079 10082 1 14 . 1 1 73 73 ALA H H 73 8.825 8.825 8.486 0.339 19079 10083 1 14 . 1 1 74 74 HIS N N 74 120.049 120.049 124.393 -4.344 19079 10084 1 14 . 1 1 74 74 HIS HA H 74 4.730 4.730 4.697 0.033 19079 10085 1 14 . 1 1 74 74 HIS C C 74 173.973 173.973 174.802 -0.829 19079 10086 1 14 . 1 1 74 74 HIS CA C 74 54.940 54.940 54.116 0.824 19079 10087 1 14 . 1 1 74 74 HIS CB C 74 32.641 32.641 30.599 2.042 19079 10088 1 14 . 1 1 74 74 HIS H H 74 8.813 8.813 8.690 0.123 19079 10089 1 14 . 1 1 75 75 ASP N N 75 125.469 125.469 126.153 -0.684 19079 10090 1 14 . 1 1 75 75 ASP HA H 75 4.619 4.619 4.444 0.175 19079 10091 1 14 . 1 1 75 75 ASP CA C 75 57.576 57.576 57.347 0.229 19079 10092 1 14 . 1 1 75 75 ASP CB C 75 42.215 42.215 41.220 0.995 19079 10093 1 14 . 1 1 75 75 ASP H H 75 8.951 8.951 8.935 0.016 19079 10094 1 14 . 1 1 76 76 TRP N N 76 113.768 113.768 114.127 -0.359 19079 10095 1 14 . 1 1 76 76 TRP HA H 76 5.455 5.455 5.162 0.293 19079 10096 1 14 . 1 1 76 76 TRP CA C 76 54.833 54.833 56.785 -1.952 19079 10097 1 14 . 1 1 76 76 TRP CB C 76 31.701 31.701 31.168 0.533 19079 10098 1 14 . 1 1 76 76 TRP H H 76 7.574 7.574 7.099 0.475 19079 10099 1 14 . 1 1 77 77 TYR N N 77 122.650 122.650 121.520 1.130 19079 10100 1 14 . 1 1 77 77 TYR CA C 77 57.248 57.248 55.489 1.759 19079 10101 1 14 . 1 1 77 77 TYR CB C 77 33.700 33.700 42.139 -8.438 19079 10102 1 14 . 1 1 77 77 TYR H H 77 8.981 8.981 8.109 0.872 19079 10103 1 14 . 1 1 78 78 PRO HA H 78 4.493 4.493 4.656 -0.163 19079 10104 1 14 . 1 1 78 78 PRO CA C 78 62.242 62.242 62.854 -0.612 19079 10105 1 14 . 1 1 78 78 PRO CB C 78 31.237 31.237 32.116 -0.879 19079 10106 1 14 . 1 1 79 79 VAL N N 79 123.871 123.871 125.079 -1.208 19079 10107 1 14 . 1 1 79 79 VAL HA H 79 3.953 3.953 4.395 -0.442 19079 10108 1 14 . 1 1 79 79 VAL C C 79 174.991 174.991 174.371 0.620 19079 10109 1 14 . 1 1 79 79 VAL CA C 79 61.545 61.545 59.689 1.856 19079 10110 1 14 . 1 1 79 79 VAL CB C 79 33.090 33.090 33.817 -0.727 19079 10111 1 14 . 1 1 79 79 VAL H H 79 8.512 8.512 9.026 -0.514 19079 10112 1 14 . 1 1 80 80 GLU N N 80 124.050 124.050 128.127 -4.077 19079 10113 1 14 . 1 1 80 80 GLU HA H 80 4.072 4.072 4.173 -0.101 19079 10114 1 14 . 1 1 80 80 GLU C C 80 175.607 175.607 175.681 -0.074 19079 10115 1 14 . 1 1 80 80 GLU CA C 80 56.291 56.291 56.744 -0.453 19079 10116 1 14 . 1 1 80 80 GLU CB C 80 30.272 30.272 30.260 0.012 19079 10117 1 14 . 1 1 80 80 GLU H H 80 8.068 8.068 8.623 -0.555 19079 10118 1 14 . 1 1 81 81 GLU N N 81 120.701 120.701 121.229 -0.528 19079 10119 1 14 . 1 1 81 81 GLU HA H 81 4.194 4.194 4.450 -0.256 19079 10120 1 14 . 1 1 81 81 GLU C C 81 175.817 175.817 176.259 -0.442 19079 10121 1 14 . 1 1 81 81 GLU CA C 81 57.390 57.390 57.053 0.337 19079 10122 1 14 . 1 1 81 81 GLU CB C 81 30.713 30.713 28.872 1.841 19079 10123 1 14 . 1 1 81 81 GLU H H 81 8.751 8.751 8.737 0.014 19079 10124 1 14 . 1 1 82 82 THR N N 82 115.162 115.162 117.280 -2.118 19079 10125 1 14 . 1 1 82 82 THR HA H 82 4.688 4.688 4.328 0.360 19079 10126 1 14 . 1 1 82 82 THR CA C 82 60.041 60.041 61.468 -1.427 19079 10127 1 14 . 1 1 82 82 THR CB C 82 73.866 73.866 70.240 3.627 19079 10128 1 14 . 1 1 82 82 THR H H 82 8.631 8.631 8.583 0.048 19079 10129 1 14 . 1 1 83 83 GLN N N 83 116.650 116.650 118.305 -1.655 19079 10130 1 14 . 1 1 83 83 GLN HA H 83 4.629 4.629 3.898 0.731 19079 10131 1 14 . 1 1 83 83 GLN CA C 83 57.643 57.643 58.619 -0.976 19079 10132 1 14 . 1 1 83 83 GLN CB C 83 30.537 30.537 28.121 2.416 19079 10133 1 14 . 1 1 83 83 GLN H H 83 8.714 8.714 8.797 -0.083 19079 10134 1 14 . 1 1 86 86 PRO HA H 86 4.779 4.779 4.490 0.289 19079 10135 1 14 . 1 1 86 86 PRO CA C 86 62.018 62.018 62.288 -0.270 19079 10136 1 14 . 1 1 86 86 PRO CB C 86 32.818 32.818 33.203 -0.385 19079 10137 1 14 . 1 1 87 87 LYS N N 87 123.136 123.136 120.982 2.154 19079 10138 1 14 . 1 1 87 87 LYS HA H 87 4.545 4.545 4.679 -0.134 19079 10139 1 14 . 1 1 87 87 LYS C C 87 176.411 176.411 176.045 0.366 19079 10140 1 14 . 1 1 87 87 LYS CA C 87 57.800 57.800 55.742 2.058 19079 10141 1 14 . 1 1 87 87 LYS CB C 87 32.322 32.322 32.017 0.305 19079 10142 1 14 . 1 1 87 87 LYS H H 87 8.936 8.936 8.437 0.499 19079 10143 1 14 . 1 1 88 88 HIS N N 88 119.788 119.788 122.771 -2.983 19079 10144 1 14 . 1 1 88 88 HIS HA H 88 4.973 4.973 4.564 0.409 19079 10145 1 14 . 1 1 88 88 HIS C C 88 171.431 171.431 172.777 -1.346 19079 10146 1 14 . 1 1 88 88 HIS CA C 88 55.171 55.171 55.573 -0.402 19079 10147 1 14 . 1 1 88 88 HIS CB C 88 29.695 29.695 33.275 -3.580 19079 10148 1 14 . 1 1 88 88 HIS H H 88 8.490 8.490 8.516 -0.026 19079 10149 1 14 . 1 1 89 89 ILE N N 89 120.371 120.371 120.221 0.150 19079 10150 1 14 . 1 1 89 89 ILE HA H 89 4.453 4.453 4.623 -0.170 19079 10151 1 14 . 1 1 89 89 ILE C C 89 176.167 176.167 175.313 0.854 19079 10152 1 14 . 1 1 89 89 ILE CA C 89 60.066 60.066 59.292 0.774 19079 10153 1 14 . 1 1 89 89 ILE CB C 89 38.855 38.855 38.068 0.787 19079 10154 1 14 . 1 1 89 89 ILE H H 89 8.417 8.417 8.197 0.220 19079 10155 1 14 . 1 1 90 90 GLN N N 90 122.913 122.913 125.501 -2.588 19079 10156 1 14 . 1 1 90 90 GLN HA H 90 5.313 5.313 4.096 1.217 19079 10157 1 14 . 1 1 90 90 GLN CA C 90 54.194 54.194 53.656 0.538 19079 10158 1 14 . 1 1 90 90 GLN CB C 90 32.780 32.780 32.093 0.687 19079 10159 1 14 . 1 1 90 90 GLN H H 90 8.286 8.286 8.148 0.138 19079 10160 1 14 . 1 1 91 91 TYR N N 91 117.779 117.779 115.438 2.341 19079 10161 1 14 . 1 1 91 91 TYR HA H 91 5.394 5.394 5.179 0.215 19079 10162 1 14 . 1 1 91 91 TYR C C 91 175.762 175.762 175.111 0.651 19079 10163 1 14 . 1 1 91 91 TYR CA C 91 56.672 56.672 56.235 0.437 19079 10164 1 14 . 1 1 91 91 TYR CB C 91 41.701 41.701 41.999 -0.298 19079 10165 1 14 . 1 1 91 91 TYR H H 91 8.086 8.086 8.164 -0.078 19079 10166 1 14 . 1 1 92 92 ASN N N 92 113.182 113.182 115.215 -2.033 19079 10167 1 14 . 1 1 92 92 ASN HA H 92 4.558 4.558 4.409 0.149 19079 10168 1 14 . 1 1 92 92 ASN C C 92 172.369 172.369 173.950 -1.581 19079 10169 1 14 . 1 1 92 92 ASN CA C 92 55.522 55.522 54.444 1.078 19079 10170 1 14 . 1 1 92 92 ASN CB C 92 37.732 37.732 36.588 1.144 19079 10171 1 14 . 1 1 92 92 ASN H H 92 8.529 8.529 8.614 -0.085 19079 10172 1 14 . 1 1 93 93 LEU N N 93 117.359 117.359 117.410 -0.051 19079 10173 1 14 . 1 1 93 93 LEU HA H 93 5.455 5.455 5.173 0.282 19079 10174 1 14 . 1 1 93 93 LEU C C 93 177.709 177.709 175.250 2.459 19079 10175 1 14 . 1 1 93 93 LEU CA C 93 54.341 54.341 53.388 0.953 19079 10176 1 14 . 1 1 93 93 LEU CB C 93 47.006 47.006 46.310 0.696 19079 10177 1 14 . 1 1 93 93 LEU H H 93 7.846 7.846 8.255 -0.409 19079 10178 1 14 . 1 1 94 94 LEU N N 94 123.298 123.298 119.962 3.336 19079 10179 1 14 . 1 1 94 94 LEU HA H 94 5.014 5.014 4.789 0.225 19079 10180 1 14 . 1 1 94 94 LEU C C 94 175.771 175.771 175.297 0.474 19079 10181 1 14 . 1 1 94 94 LEU CA C 94 53.889 53.889 54.269 -0.380 19079 10182 1 14 . 1 1 94 94 LEU CB C 94 44.784 44.784 44.636 0.148 19079 10183 1 14 . 1 1 94 94 LEU H H 94 9.155 9.155 7.739 1.416 19079 10184 1 14 . 1 1 95 95 ILE N N 95 121.585 121.585 123.803 -2.218 19079 10185 1 14 . 1 1 95 95 ILE HA H 95 5.166 5.166 4.551 0.615 19079 10186 1 14 . 1 1 95 95 ILE C C 95 175.885 175.885 175.613 0.272 19079 10187 1 14 . 1 1 95 95 ILE CA C 95 59.795 59.795 59.807 -0.012 19079 10188 1 14 . 1 1 95 95 ILE CB C 95 39.820 39.820 38.980 0.840 19079 10189 1 14 . 1 1 95 95 ILE H H 95 8.920 8.920 7.631 1.289 19079 10190 1 14 . 1 1 96 96 GLY N N 96 115.891 115.891 114.751 1.140 19079 10191 1 14 . 1 1 96 96 GLY C C 96 171.937 171.937 172.262 -0.325 19079 10192 1 14 . 1 1 96 96 GLY CA C 96 44.865 44.865 44.470 0.395 19079 10193 1 14 . 1 1 96 96 GLY H H 96 9.223 9.223 8.800 0.423 19079 10194 1 14 . 1 1 97 97 GLU N N 97 119.340 119.340 122.493 -3.153 19079 10195 1 14 . 1 1 97 97 GLU HA H 97 4.831 4.831 5.081 -0.250 19079 10196 1 14 . 1 1 97 97 GLU C C 97 175.567 175.567 175.681 -0.114 19079 10197 1 14 . 1 1 97 97 GLU CA C 97 55.736 55.736 54.655 1.081 19079 10198 1 14 . 1 1 97 97 GLU CB C 97 31.009 31.009 31.208 -0.199 19079 10199 1 14 . 1 1 97 97 GLU H H 97 8.197 8.197 8.064 0.133 19079 10200 1 14 . 1 1 98 98 GLY N N 98 113.912 113.912 111.528 2.384 19079 10201 1 14 . 1 1 98 98 GLY CA C 98 45.089 45.089 43.528 1.561 19079 10202 1 14 . 1 1 98 98 GLY H H 98 7.767 7.767 7.945 -0.178 19079 10203 1 14 . 1 1 99 99 PRO HA H 99 4.347 4.347 4.560 -0.213 19079 10204 1 14 . 1 1 99 99 PRO CA C 99 62.396 62.396 62.651 -0.256 19079 10205 1 14 . 1 1 99 99 PRO CB C 99 32.558 32.558 32.642 -0.084 19079 10206 1 14 . 1 1 100 100 CYS N N 100 122.972 122.972 124.901 -1.929 19079 10207 1 14 . 1 1 100 100 CYS HA H 100 4.567 4.567 4.586 -0.019 19079 10208 1 14 . 1 1 100 100 CYS C C 100 172.077 172.077 173.842 -1.765 19079 10209 1 14 . 1 1 100 100 CYS CA C 100 60.097 60.097 58.107 1.990 19079 10210 1 14 . 1 1 100 100 CYS CB C 100 28.063 28.063 29.128 -1.065 19079 10211 1 14 . 1 1 100 100 CYS H H 100 8.219 8.219 8.448 -0.229 19079 10212 1 14 . 1 1 101 101 VAL N N 101 123.973 123.973 122.373 1.600 19079 10213 1 14 . 1 1 101 101 VAL HA H 101 4.888 4.888 4.547 0.341 19079 10214 1 14 . 1 1 101 101 VAL CA C 101 58.947 58.947 58.341 0.606 19079 10215 1 14 . 1 1 101 101 VAL CB C 101 32.322 32.322 33.249 -0.927 19079 10216 1 14 . 1 1 101 101 VAL H H 101 8.662 8.662 8.100 0.562 19079 10217 1 14 . 1 1 103 103 GLY C C 103 175.333 175.333 174.987 0.346 19079 10218 1 14 . 1 1 103 103 GLY CA C 103 45.683 45.683 45.371 0.312 19079 10219 1 14 . 1 1 104 104 ASP N N 104 121.740 121.740 122.612 -0.872 19079 10220 1 14 . 1 1 104 104 ASP HA H 104 4.836 4.836 4.449 0.387 19079 10221 1 14 . 1 1 104 104 ASP C C 104 176.601 176.601 176.124 0.477 19079 10222 1 14 . 1 1 104 104 ASP CA C 104 54.700 54.700 56.054 -1.355 19079 10223 1 14 . 1 1 104 104 ASP CB C 104 41.322 41.322 41.154 0.168 19079 10224 1 14 . 1 1 104 104 ASP H H 104 8.217 8.217 7.972 0.245 19079 10225 1 14 . 1 1 105 105 ALA N N 105 121.750 121.750 119.412 2.338 19079 10226 1 14 . 1 1 105 105 ALA HA H 105 3.707 3.707 4.144 -0.437 19079 10227 1 14 . 1 1 105 105 ALA C C 105 175.218 175.218 177.629 -2.411 19079 10228 1 14 . 1 1 105 105 ALA CA C 105 54.002 54.002 53.534 0.468 19079 10229 1 14 . 1 1 105 105 ALA CB C 105 18.021 18.021 18.301 -0.280 19079 10230 1 14 . 1 1 105 105 ALA H H 105 7.672 7.672 8.272 -0.600 19079 10231 1 14 . 1 1 106 106 GLY N N 106 110.675 110.675 111.630 -0.955 19079 10232 1 14 . 1 1 106 106 GLY C C 106 174.112 174.112 174.514 -0.402 19079 10233 1 14 . 1 1 106 106 GLY CA C 106 45.354 45.354 44.679 0.675 19079 10234 1 14 . 1 1 106 106 GLY H H 106 8.781 8.781 7.999 0.782 19079 10235 1 14 . 1 1 107 107 GLY N N 107 104.052 104.052 110.235 -6.183 19079 10236 1 14 . 1 1 107 107 GLY C C 107 173.970 173.970 174.412 -0.442 19079 10237 1 14 . 1 1 107 107 GLY CA C 107 46.405 46.405 44.861 1.544 19079 10238 1 14 . 1 1 107 107 GLY H H 107 7.727 7.727 7.861 -0.134 19079 10239 1 14 . 1 1 108 108 LYS N N 108 122.212 122.212 126.143 -3.931 19079 10240 1 14 . 1 1 108 108 LYS HA H 108 4.442 4.442 4.321 0.121 19079 10241 1 14 . 1 1 108 108 LYS C C 108 175.056 175.056 175.754 -0.698 19079 10242 1 14 . 1 1 108 108 LYS CA C 108 58.497 58.497 56.560 1.937 19079 10243 1 14 . 1 1 108 108 LYS CB C 108 36.053 36.053 32.828 3.225 19079 10244 1 14 . 1 1 108 108 LYS H H 108 8.553 8.553 8.426 0.127 19079 10245 1 14 . 1 1 109 109 LEU N N 109 119.300 119.300 128.635 -9.335 19079 10246 1 14 . 1 1 109 109 LEU HA H 109 4.881 4.881 4.880 0.001 19079 10247 1 14 . 1 1 109 109 LEU C C 109 175.017 175.017 174.416 0.601 19079 10248 1 14 . 1 1 109 109 LEU CA C 109 53.372 53.372 53.537 -0.165 19079 10249 1 14 . 1 1 109 109 LEU CB C 109 43.275 43.275 42.607 0.668 19079 10250 1 14 . 1 1 109 109 LEU H H 109 8.065 8.065 8.771 -0.706 19079 10251 1 14 . 1 1 110 110 LEU N N 110 126.757 126.757 127.722 -0.965 19079 10252 1 14 . 1 1 110 110 LEU HA H 110 5.498 5.498 4.949 0.549 19079 10253 1 14 . 1 1 110 110 LEU C C 110 176.125 176.125 175.955 0.170 19079 10254 1 14 . 1 1 110 110 LEU CA C 110 55.318 55.318 54.088 1.230 19079 10255 1 14 . 1 1 110 110 LEU CB C 110 44.799 44.799 44.534 0.265 19079 10256 1 14 . 1 1 110 110 LEU H H 110 9.450 9.450 9.154 0.296 19079 10257 1 14 . 1 1 111 111 CYS N N 111 118.897 118.897 120.133 -1.236 19079 10258 1 14 . 1 1 111 111 CYS HA H 111 5.254 5.254 4.867 0.387 19079 10259 1 14 . 1 1 111 111 CYS C C 111 177.063 177.063 175.880 1.183 19079 10260 1 14 . 1 1 111 111 CYS CA C 111 57.201 57.201 56.434 0.767 19079 10261 1 14 . 1 1 111 111 CYS CB C 111 32.532 32.532 31.075 1.457 19079 10262 1 14 . 1 1 111 111 CYS H H 111 8.575 8.575 8.746 -0.171 19079 10263 1 14 . 1 1 112 112 ARG N N 112 116.382 116.382 120.299 -3.917 19079 10264 1 14 . 1 1 112 112 ARG HA H 112 3.918 3.918 3.886 0.032 19079 10265 1 14 . 1 1 112 112 ARG C C 112 176.892 176.892 177.575 -0.683 19079 10266 1 14 . 1 1 112 112 ARG CA C 112 59.714 59.714 58.547 1.167 19079 10267 1 14 . 1 1 112 112 ARG CB C 112 29.874 29.874 29.285 0.589 19079 10268 1 14 . 1 1 112 112 ARG H H 112 8.350 8.350 8.638 -0.288 19079 10269 1 14 . 1 1 113 113 HIS N N 113 121.579 121.579 114.144 7.435 19079 10270 1 14 . 1 1 113 113 HIS HA H 113 4.480 4.480 4.706 -0.226 19079 10271 1 14 . 1 1 113 113 HIS C C 113 175.439 175.439 175.678 -0.239 19079 10272 1 14 . 1 1 113 113 HIS CA C 113 58.739 58.739 56.378 2.361 19079 10273 1 14 . 1 1 113 113 HIS CB C 113 31.050 31.050 30.856 0.194 19079 10274 1 14 . 1 1 113 113 HIS H H 113 10.445 10.445 7.107 3.338 19079 10275 1 14 . 1 1 114 114 GLY N N 114 108.273 108.273 105.379 2.894 19079 10276 1 14 . 1 1 114 114 GLY C C 114 169.307 169.307 172.849 -3.542 19079 10277 1 14 . 1 1 114 114 GLY CA C 114 45.413 45.413 44.846 0.567 19079 10278 1 14 . 1 1 114 114 GLY H H 114 7.689 7.689 7.386 0.303 19079 10279 1 14 . 1 1 115 115 VAL N N 115 120.998 120.998 121.401 -0.403 19079 10280 1 14 . 1 1 115 115 VAL HA H 115 4.476 4.476 4.024 0.452 19079 10281 1 14 . 1 1 115 115 VAL C C 115 173.881 173.881 176.758 -2.877 19079 10282 1 14 . 1 1 115 115 VAL CA C 115 62.513 62.513 64.595 -2.082 19079 10283 1 14 . 1 1 115 115 VAL CB C 115 32.113 32.113 31.924 0.189 19079 10284 1 14 . 1 1 115 115 VAL H H 115 8.455 8.455 8.538 -0.083 19079 10285 1 14 . 1 1 116 116 ILE N N 116 114.566 114.566 115.792 -1.226 19079 10286 1 14 . 1 1 116 116 ILE HA H 116 4.603 4.603 4.683 -0.080 19079 10287 1 14 . 1 1 116 116 ILE C C 116 175.445 175.445 175.003 0.442 19079 10288 1 14 . 1 1 116 116 ILE CA C 116 61.470 61.470 60.167 1.303 19079 10289 1 14 . 1 1 116 116 ILE CB C 116 40.782 40.782 39.769 1.013 19079 10290 1 14 . 1 1 116 116 ILE H H 116 8.460 8.460 8.926 -0.466 19079 10291 1 14 . 1 1 117 117 GLY N N 117 106.195 106.195 108.427 -2.232 19079 10292 1 14 . 1 1 117 117 GLY C C 117 171.664 171.664 171.375 0.289 19079 10293 1 14 . 1 1 117 117 GLY CA C 117 46.303 46.303 45.907 0.396 19079 10294 1 14 . 1 1 117 117 GLY H H 117 7.827 7.827 7.413 0.414 19079 10295 1 14 . 1 1 118 118 ILE N N 118 109.501 109.501 115.551 -6.050 19079 10296 1 14 . 1 1 118 118 ILE HA H 118 5.611 5.611 5.216 0.395 19079 10297 1 14 . 1 1 118 118 ILE C C 118 176.642 176.642 175.627 1.015 19079 10298 1 14 . 1 1 118 118 ILE CA C 118 58.787 58.787 58.480 0.307 19079 10299 1 14 . 1 1 118 118 ILE CB C 118 43.351 43.351 42.032 1.319 19079 10300 1 14 . 1 1 118 118 ILE H H 118 7.571 7.571 8.132 -0.561 19079 10301 1 14 . 1 1 119 119 ILE N N 119 124.258 124.258 123.689 0.569 19079 10302 1 14 . 1 1 119 119 ILE HA H 119 3.774 3.774 4.148 -0.374 19079 10303 1 14 . 1 1 119 119 ILE C C 119 177.447 177.447 176.611 0.836 19079 10304 1 14 . 1 1 119 119 ILE CA C 119 64.399 64.399 63.142 1.257 19079 10305 1 14 . 1 1 119 119 ILE CB C 119 39.393 39.393 36.736 2.657 19079 10306 1 14 . 1 1 119 119 ILE H H 119 9.465 9.465 8.314 1.151 19079 10307 1 14 . 1 1 120 120 THR N N 120 122.153 122.153 122.843 -0.690 19079 10308 1 14 . 1 1 120 120 THR HA H 120 4.670 4.670 4.612 0.058 19079 10309 1 14 . 1 1 120 120 THR C C 120 171.416 171.416 173.891 -2.475 19079 10310 1 14 . 1 1 120 120 THR CA C 120 61.440 61.440 61.400 0.040 19079 10311 1 14 . 1 1 120 120 THR CB C 120 70.455 70.455 70.598 -0.143 19079 10312 1 14 . 1 1 120 120 THR H H 120 9.400 9.400 8.630 0.770 19079 10313 1 14 . 1 1 121 121 ALA N N 121 124.014 124.014 123.102 0.912 19079 10314 1 14 . 1 1 121 121 ALA HA H 121 4.583 4.583 5.181 -0.598 19079 10315 1 14 . 1 1 121 121 ALA C C 121 173.695 173.695 175.266 -1.571 19079 10316 1 14 . 1 1 121 121 ALA CA C 121 51.833 51.833 50.592 1.241 19079 10317 1 14 . 1 1 121 121 ALA CB C 121 22.523 22.523 21.910 0.613 19079 10318 1 14 . 1 1 121 121 ALA H H 121 7.885 7.885 7.665 0.220 19079 10319 1 14 . 1 1 122 122 GLY N N 122 103.252 103.252 108.262 -5.010 19079 10320 1 14 . 1 1 122 122 GLY C C 122 172.124 172.124 173.104 -0.980 19079 10321 1 14 . 1 1 122 122 GLY CA C 122 45.917 45.917 45.377 0.540 19079 10322 1 14 . 1 1 122 122 GLY H H 122 7.828 7.828 8.117 -0.289 19079 10323 1 14 . 1 1 123 123 GLY N N 123 107.688 107.688 108.872 -1.184 19079 10324 1 14 . 1 1 123 123 GLY C C 123 174.470 174.470 172.341 2.129 19079 10325 1 14 . 1 1 123 123 GLY CA C 123 45.051 45.051 44.874 0.177 19079 10326 1 14 . 1 1 123 123 GLY H H 123 8.285 8.285 8.939 -0.654 19079 10327 1 14 . 1 1 124 124 ASP N N 124 120.288 120.288 121.050 -0.762 19079 10328 1 14 . 1 1 124 124 ASP HA H 124 4.621 4.621 4.628 -0.007 19079 10329 1 14 . 1 1 124 124 ASP C C 124 176.061 176.061 176.855 -0.794 19079 10330 1 14 . 1 1 124 124 ASP CA C 124 55.465 55.465 53.911 1.554 19079 10331 1 14 . 1 1 124 124 ASP CB C 124 40.111 40.111 40.541 -0.430 19079 10332 1 14 . 1 1 124 124 ASP H H 124 9.054 9.054 8.198 0.856 19079 10333 1 14 . 1 1 125 125 GLY N N 125 105.482 105.482 115.045 -9.563 19079 10334 1 14 . 1 1 125 125 GLY C C 125 174.566 174.566 173.071 1.495 19079 10335 1 14 . 1 1 125 125 GLY CA C 125 45.493 45.493 45.649 -0.156 19079 10336 1 14 . 1 1 125 125 GLY H H 125 8.567 8.567 8.828 -0.261 19079 10337 1 14 . 1 1 126 126 HIS N N 126 117.677 117.677 117.266 0.411 19079 10338 1 14 . 1 1 126 126 HIS HA H 126 5.449 5.449 5.433 0.016 19079 10339 1 14 . 1 1 126 126 HIS C C 126 172.058 172.058 173.247 -1.189 19079 10340 1 14 . 1 1 126 126 HIS CA C 126 54.653 54.653 54.548 0.105 19079 10341 1 14 . 1 1 126 126 HIS CB C 126 31.709 31.709 32.259 -0.550 19079 10342 1 14 . 1 1 126 126 HIS H H 126 7.852 7.852 7.311 0.541 19079 10343 1 14 . 1 1 127 127 VAL N N 127 121.145 121.145 125.995 -4.850 19079 10344 1 14 . 1 1 127 127 VAL HA H 127 4.230 4.230 4.485 -0.255 19079 10345 1 14 . 1 1 127 127 VAL C C 127 170.317 170.317 173.501 -3.184 19079 10346 1 14 . 1 1 127 127 VAL CA C 127 60.125 60.125 60.221 -0.096 19079 10347 1 14 . 1 1 127 127 VAL CB C 127 34.681 34.681 34.542 0.139 19079 10348 1 14 . 1 1 127 127 VAL H H 127 8.857 8.857 7.970 0.887 19079 10349 1 14 . 1 1 128 128 ALA N N 128 127.867 127.867 131.282 -3.415 19079 10350 1 14 . 1 1 128 128 ALA HA H 128 5.222 5.222 5.515 -0.293 19079 10351 1 14 . 1 1 128 128 ALA C C 128 175.506 175.506 176.066 -0.560 19079 10352 1 14 . 1 1 128 128 ALA CA C 128 49.199 49.199 49.351 -0.152 19079 10353 1 14 . 1 1 128 128 ALA CB C 128 21.731 21.731 21.909 -0.178 19079 10354 1 14 . 1 1 128 128 ALA H H 128 8.400 8.400 8.856 -0.456 19079 10355 1 14 . 1 1 129 129 PHE N N 129 121.202 121.202 118.290 2.912 19079 10356 1 14 . 1 1 129 129 PHE HA H 129 5.301 5.301 5.262 0.039 19079 10357 1 14 . 1 1 129 129 PHE C C 129 176.082 176.082 173.594 2.488 19079 10358 1 14 . 1 1 129 129 PHE CA C 129 54.759 54.759 56.047 -1.288 19079 10359 1 14 . 1 1 129 129 PHE CB C 129 41.372 41.372 42.209 -0.837 19079 10360 1 14 . 1 1 129 129 PHE H H 129 9.689 9.689 8.213 1.476 19079 10361 1 14 . 1 1 130 130 THR N N 130 121.809 121.809 117.767 4.042 19079 10362 1 14 . 1 1 130 130 THR HA H 130 4.573 4.573 4.647 -0.074 19079 10363 1 14 . 1 1 130 130 THR C C 130 173.050 173.050 174.402 -1.352 19079 10364 1 14 . 1 1 130 130 THR CA C 130 63.487 63.487 61.601 1.886 19079 10365 1 14 . 1 1 130 130 THR CB C 130 70.852 70.852 69.986 0.866 19079 10366 1 14 . 1 1 130 130 THR H H 130 8.848 8.848 8.832 0.016 19079 10367 1 14 . 1 1 131 131 ASP N N 131 128.382 128.382 129.763 -1.381 19079 10368 1 14 . 1 1 131 131 ASP HA H 131 4.915 4.915 5.111 -0.196 19079 10369 1 14 . 1 1 131 131 ASP C C 131 175.616 175.616 176.818 -1.202 19079 10370 1 14 . 1 1 131 131 ASP CA C 131 52.924 52.924 55.149 -2.225 19079 10371 1 14 . 1 1 131 131 ASP CB C 131 41.513 41.513 41.293 0.220 19079 10372 1 14 . 1 1 131 131 ASP H H 131 8.722 8.722 8.332 0.390 19079 10373 1 14 . 1 1 132 132 LEU N N 132 123.250 123.250 127.831 -4.581 19079 10374 1 14 . 1 1 132 132 LEU HA H 132 4.325 4.325 4.448 -0.123 19079 10375 1 14 . 1 1 132 132 LEU C C 132 179.704 179.704 177.713 1.991 19079 10376 1 14 . 1 1 132 132 LEU CA C 132 55.286 55.286 55.944 -0.658 19079 10377 1 14 . 1 1 132 132 LEU CB C 132 42.640 42.640 42.136 0.504 19079 10378 1 14 . 1 1 132 132 LEU H H 132 8.788 8.788 8.672 0.116 19079 10379 1 14 . 1 1 133 133 ARG N N 133 119.561 119.561 120.112 -0.551 19079 10380 1 14 . 1 1 133 133 ARG HA H 133 3.977 3.977 4.190 -0.213 19079 10381 1 14 . 1 1 133 133 ARG C C 133 177.476 177.476 175.480 1.996 19079 10382 1 14 . 1 1 133 133 ARG CA C 133 61.799 61.799 60.943 0.856 19079 10383 1 14 . 1 1 133 133 ARG CB C 133 27.601 27.601 28.559 -0.959 19079 10384 1 14 . 1 1 133 133 ARG H H 133 8.961 8.961 7.846 1.115 19079 10385 1 14 . 1 1 134 134 PRO HA H 134 4.284 4.284 4.339 -0.055 19079 10386 1 14 . 1 1 134 134 PRO C C 134 175.695 175.695 175.392 0.303 19079 10387 1 14 . 1 1 134 134 PRO CA C 134 64.508 64.508 63.638 0.870 19079 10388 1 14 . 1 1 134 134 PRO CB C 134 31.008 31.008 29.930 1.078 19079 10389 1 14 . 1 1 135 135 TYR N N 135 114.745 114.745 119.754 -5.009 19079 10390 1 14 . 1 1 135 135 TYR HA H 135 4.420 4.420 4.566 -0.146 19079 10391 1 14 . 1 1 135 135 TYR C C 135 175.146 175.146 174.833 0.313 19079 10392 1 14 . 1 1 135 135 TYR CA C 135 57.322 57.322 59.105 -1.783 19079 10393 1 14 . 1 1 135 135 TYR CB C 135 39.549 39.549 40.134 -0.585 19079 10394 1 14 . 1 1 135 135 TYR H H 135 7.419 7.419 8.548 -1.129 19079 10395 1 14 . 1 1 136 136 ASN N N 136 119.088 119.088 118.620 0.468 19079 10396 1 14 . 1 1 136 136 ASN HA H 136 4.622 4.622 4.847 -0.225 19079 10397 1 14 . 1 1 136 136 ASN C C 136 175.650 175.650 175.893 -0.243 19079 10398 1 14 . 1 1 136 136 ASN CA C 136 53.601 53.601 52.153 1.448 19079 10399 1 14 . 1 1 136 136 ASN CB C 136 38.741 38.741 40.510 -1.769 19079 10400 1 14 . 1 1 136 136 ASN H H 136 7.245 7.245 7.836 -0.591 19079 10401 1 14 . 1 1 137 137 ILE N N 137 126.031 126.031 122.053 3.978 19079 10402 1 14 . 1 1 137 137 ILE HA H 137 4.135 4.135 4.184 -0.049 19079 10403 1 14 . 1 1 137 137 ILE C C 137 175.636 175.636 175.894 -0.258 19079 10404 1 14 . 1 1 137 137 ILE CA C 137 61.215 61.215 60.676 0.539 19079 10405 1 14 . 1 1 137 137 ILE CB C 137 38.380 38.380 34.892 3.488 19079 10406 1 14 . 1 1 137 137 ILE H H 137 7.849 7.849 8.524 -0.675 19079 10407 1 14 . 1 1 138 138 LYS N N 138 125.271 125.271 121.658 3.613 19079 10408 1 14 . 1 1 138 138 LYS HA H 138 4.368 4.368 4.517 -0.149 19079 10409 1 14 . 1 1 138 138 LYS C C 138 176.110 176.110 176.565 -0.455 19079 10410 1 14 . 1 1 138 138 LYS CA C 138 55.906 55.906 58.217 -2.311 19079 10411 1 14 . 1 1 138 138 LYS CB C 138 33.564 33.564 32.846 0.718 19079 10412 1 14 . 1 1 138 138 LYS H H 138 8.171 8.171 8.259 -0.088 19079 10413 1 14 . 1 1 139 139 ALA N N 139 124.226 124.226 120.049 4.177 19079 10414 1 14 . 1 1 139 139 ALA HA H 139 4.384 4.384 4.357 0.027 19079 10415 1 14 . 1 1 139 139 ALA C C 139 177.788 177.788 176.253 1.535 19079 10416 1 14 . 1 1 139 139 ALA CA C 139 52.522 52.522 52.716 -0.194 19079 10417 1 14 . 1 1 139 139 ALA CB C 139 19.531 19.531 19.370 0.161 19079 10418 1 14 . 1 1 139 139 ALA H H 139 8.207 8.207 8.276 -0.069 19079 10419 1 14 . 1 1 140 140 THR N N 140 112.869 112.869 114.600 -1.731 19079 10420 1 14 . 1 1 140 140 THR HA H 140 4.390 4.390 4.630 -0.240 19079 10421 1 14 . 1 1 140 140 THR C C 140 174.522 174.522 173.155 1.367 19079 10422 1 14 . 1 1 140 140 THR CA C 140 61.685 61.685 61.578 0.108 19079 10423 1 14 . 1 1 140 140 THR CB C 140 69.961 69.961 71.239 -1.278 19079 10424 1 14 . 1 1 140 140 THR H H 140 8.094 8.094 7.772 0.322 19079 10425 1 14 . 1 1 141 141 SER N N 141 118.138 118.138 117.534 0.604 19079 10426 1 14 . 1 1 141 141 SER HA H 141 4.500 4.500 4.811 -0.311 19079 10427 1 14 . 1 1 141 141 SER C C 141 173.503 173.503 174.252 -0.749 19079 10428 1 14 . 1 1 141 141 SER CA C 141 58.315 58.315 57.641 0.674 19079 10429 1 14 . 1 1 141 141 SER CB C 141 64.039 64.039 64.291 -0.252 19079 10430 1 14 . 1 1 141 141 SER H H 141 8.209 8.209 8.424 -0.215 19079 10431 1 15 . 1 1 2 2 PRO HA H 2 4.360 4.360 4.521 -0.161 19079 10432 1 15 . 1 1 2 2 PRO C C 2 178.185 178.185 176.383 1.802 19079 10433 1 15 . 1 1 2 2 PRO CA C 2 65.722 65.722 63.636 2.086 19079 10434 1 15 . 1 1 2 2 PRO CB C 2 33.078 33.078 32.693 0.385 19079 10435 1 15 . 1 1 3 3 SER N N 3 112.403 112.403 114.813 -2.410 19079 10436 1 15 . 1 1 3 3 SER HA H 3 3.136 3.136 4.533 -1.397 19079 10437 1 15 . 1 1 3 3 SER C C 3 172.101 172.101 172.630 -0.529 19079 10438 1 15 . 1 1 3 3 SER CA C 3 57.421 57.421 58.233 -0.812 19079 10439 1 15 . 1 1 3 3 SER CB C 3 62.812 62.812 64.667 -1.855 19079 10440 1 15 . 1 1 3 3 SER H H 3 8.494 8.494 7.627 0.867 19079 10441 1 15 . 1 1 4 4 ASP N N 4 119.024 119.024 123.594 -4.570 19079 10442 1 15 . 1 1 4 4 ASP HA H 4 4.438 4.438 4.922 -0.484 19079 10443 1 15 . 1 1 4 4 ASP C C 4 177.371 177.371 174.826 2.545 19079 10444 1 15 . 1 1 4 4 ASP CA C 4 54.800 54.800 54.285 0.515 19079 10445 1 15 . 1 1 4 4 ASP CB C 4 41.495 41.495 42.765 -1.270 19079 10446 1 15 . 1 1 4 4 ASP H H 4 6.841 6.841 8.245 -1.405 19079 10447 1 15 . 1 1 5 5 LEU N N 5 129.426 129.426 122.332 7.094 19079 10448 1 15 . 1 1 5 5 LEU HA H 5 4.526 4.526 4.357 0.169 19079 10449 1 15 . 1 1 5 5 LEU C C 5 176.246 176.246 176.389 -0.143 19079 10450 1 15 . 1 1 5 5 LEU CA C 5 54.010 54.010 54.771 -0.761 19079 10451 1 15 . 1 1 5 5 LEU CB C 5 40.690 40.690 42.162 -1.472 19079 10452 1 15 . 1 1 5 5 LEU H H 5 8.781 8.781 8.352 0.429 19079 10453 1 15 . 1 1 6 6 PHE HA H 6 4.842 4.842 4.595 0.247 19079 10454 1 15 . 1 1 6 6 PHE C C 6 174.584 174.584 175.891 -1.307 19079 10455 1 15 . 1 1 6 6 PHE CA C 6 56.782 56.782 56.403 0.379 19079 10456 1 15 . 1 1 6 6 PHE CB C 6 39.576 39.576 39.330 0.246 19079 10457 1 15 . 1 1 7 7 VAL N N 7 118.923 118.923 119.165 -0.242 19079 10458 1 15 . 1 1 7 7 VAL HA H 7 4.528 4.528 3.965 0.563 19079 10459 1 15 . 1 1 7 7 VAL C C 7 173.989 173.989 174.380 -0.391 19079 10460 1 15 . 1 1 7 7 VAL CA C 7 61.571 61.571 61.101 0.470 19079 10461 1 15 . 1 1 7 7 VAL CB C 7 34.826 34.826 32.872 1.954 19079 10462 1 15 . 1 1 7 7 VAL H H 7 8.586 8.586 8.475 0.111 19079 10463 1 15 . 1 1 8 8 HIS N N 8 132.990 132.990 124.226 8.764 19079 10464 1 15 . 1 1 8 8 HIS HA H 8 5.997 5.997 5.308 0.689 19079 10465 1 15 . 1 1 8 8 HIS C C 8 174.184 174.184 175.130 -0.946 19079 10466 1 15 . 1 1 8 8 HIS CA C 8 53.113 53.113 54.240 -1.127 19079 10467 1 15 . 1 1 8 8 HIS CB C 8 33.889 33.889 33.024 0.865 19079 10468 1 15 . 1 1 8 8 HIS H H 8 10.809 10.809 8.149 2.660 19079 10469 1 15 . 1 1 9 9 THR N N 9 118.112 118.112 115.634 2.478 19079 10470 1 15 . 1 1 9 9 THR HA H 9 5.343 5.343 5.103 0.240 19079 10471 1 15 . 1 1 9 9 THR C C 9 175.788 175.788 174.987 0.801 19079 10472 1 15 . 1 1 9 9 THR CA C 9 59.768 59.768 59.908 -0.140 19079 10473 1 15 . 1 1 9 9 THR CB C 9 70.673 70.673 70.386 0.287 19079 10474 1 15 . 1 1 9 9 THR H H 9 9.512 9.512 8.909 0.603 19079 10475 1 15 . 1 1 10 10 GLU N N 10 117.927 117.927 126.562 -8.635 19079 10476 1 15 . 1 1 10 10 GLU HA H 10 4.096 4.096 3.756 0.340 19079 10477 1 15 . 1 1 10 10 GLU C C 10 176.321 176.321 176.224 0.097 19079 10478 1 15 . 1 1 10 10 GLU CA C 10 59.900 59.900 59.607 0.293 19079 10479 1 15 . 1 1 10 10 GLU CB C 10 29.983 29.983 27.785 2.198 19079 10480 1 15 . 1 1 10 10 GLU H H 10 8.812 8.812 9.273 -0.461 19079 10481 1 15 . 1 1 11 11 GLN N N 11 110.877 110.877 119.581 -8.704 19079 10482 1 15 . 1 1 11 11 GLN HA H 11 4.621 4.621 4.799 -0.178 19079 10483 1 15 . 1 1 11 11 GLN C C 11 175.391 175.391 173.751 1.640 19079 10484 1 15 . 1 1 11 11 GLN CA C 11 56.071 56.071 55.278 0.793 19079 10485 1 15 . 1 1 11 11 GLN CB C 11 31.963 31.963 31.736 0.227 19079 10486 1 15 . 1 1 11 11 GLN H H 11 7.797 7.797 8.306 -0.509 19079 10487 1 15 . 1 1 12 12 ALA N N 12 122.143 122.143 123.007 -0.864 19079 10488 1 15 . 1 1 12 12 ALA HA H 12 5.049 5.049 5.365 -0.316 19079 10489 1 15 . 1 1 12 12 ALA C C 12 174.293 174.293 175.779 -1.486 19079 10490 1 15 . 1 1 12 12 ALA CA C 12 51.943 51.943 50.050 1.893 19079 10491 1 15 . 1 1 12 12 ALA CB C 12 23.177 23.177 21.568 1.609 19079 10492 1 15 . 1 1 12 12 ALA H H 12 7.814 7.814 8.263 -0.449 19079 10493 1 15 . 1 1 13 13 ILE N N 13 119.589 119.589 126.571 -6.982 19079 10494 1 15 . 1 1 13 13 ILE HA H 13 5.399 5.399 4.790 0.609 19079 10495 1 15 . 1 1 13 13 ILE C C 13 174.295 174.295 175.186 -0.891 19079 10496 1 15 . 1 1 13 13 ILE CA C 13 60.102 60.102 60.158 -0.056 19079 10497 1 15 . 1 1 13 13 ILE CB C 13 41.080 41.080 38.083 2.997 19079 10498 1 15 . 1 1 13 13 ILE H H 13 9.206 9.206 8.255 0.951 19079 10499 1 15 . 1 1 14 14 TYR N N 14 127.337 127.337 130.022 -2.685 19079 10500 1 15 . 1 1 14 14 TYR HA H 14 4.853 4.853 5.111 -0.258 19079 10501 1 15 . 1 1 14 14 TYR C C 14 172.793 172.793 175.155 -2.362 19079 10502 1 15 . 1 1 14 14 TYR CA C 14 56.784 56.784 57.363 -0.579 19079 10503 1 15 . 1 1 14 14 TYR CB C 14 39.797 39.797 39.589 0.208 19079 10504 1 15 . 1 1 14 14 TYR H H 14 9.794 9.794 8.844 0.950 19079 10505 1 15 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.746 -0.374 19079 10506 1 15 . 1 1 15 15 LYS CA C 15 55.924 55.924 54.494 1.430 19079 10507 1 15 . 1 1 15 15 LYS CB C 15 33.563 33.563 36.230 -2.667 19079 10508 1 15 . 1 1 15 15 LYS H H 15 7.550 7.550 8.057 -0.507 19079 10509 1 15 . 1 1 16 16 ASN N N 16 107.943 107.943 120.716 -12.773 19079 10510 1 15 . 1 1 16 16 ASN HA H 16 5.098 5.098 4.325 0.773 19079 10511 1 15 . 1 1 16 16 ASN C C 16 176.475 176.475 176.630 -0.155 19079 10512 1 15 . 1 1 16 16 ASN CA C 16 54.072 54.072 53.294 0.778 19079 10513 1 15 . 1 1 16 16 ASN CB C 16 38.619 38.619 37.155 1.464 19079 10514 1 15 . 1 1 16 16 ASN H H 16 8.156 8.156 8.682 -0.526 19079 10515 1 15 . 1 1 17 17 ALA N N 17 127.319 127.319 127.269 0.050 19079 10516 1 15 . 1 1 17 17 ALA HA H 17 3.608 3.608 4.042 -0.434 19079 10517 1 15 . 1 1 17 17 ALA C C 17 180.081 180.081 178.218 1.863 19079 10518 1 15 . 1 1 17 17 ALA CA C 17 54.282 54.282 54.313 -0.031 19079 10519 1 15 . 1 1 17 17 ALA CB C 17 17.646 17.646 18.831 -1.185 19079 10520 1 15 . 1 1 17 17 ALA H H 17 7.573 7.573 8.240 -0.667 19079 10521 1 15 . 1 1 18 18 HIS N N 18 108.625 108.625 112.168 -3.543 19079 10522 1 15 . 1 1 18 18 HIS HA H 18 4.504 4.504 4.494 0.010 19079 10523 1 15 . 1 1 18 18 HIS C C 18 174.182 174.182 175.757 -1.575 19079 10524 1 15 . 1 1 18 18 HIS CA C 18 57.782 57.782 56.807 0.975 19079 10525 1 15 . 1 1 18 18 HIS CB C 18 26.798 26.798 29.869 -3.071 19079 10526 1 15 . 1 1 18 18 HIS H H 18 8.118 8.118 7.750 0.368 19079 10527 1 15 . 1 1 19 19 LEU N N 19 117.682 117.682 120.756 -3.074 19079 10528 1 15 . 1 1 19 19 LEU HA H 19 4.444 4.444 4.723 -0.279 19079 10529 1 15 . 1 1 19 19 LEU C C 19 175.795 175.795 176.396 -0.601 19079 10530 1 15 . 1 1 19 19 LEU CA C 19 53.309 53.309 55.036 -1.727 19079 10531 1 15 . 1 1 19 19 LEU CB C 19 42.366 42.366 43.315 -0.949 19079 10532 1 15 . 1 1 19 19 LEU H H 19 6.677 6.677 7.703 -1.026 19079 10533 1 15 . 1 1 20 20 THR N N 20 116.187 116.187 109.816 6.371 19079 10534 1 15 . 1 1 20 20 THR HA H 20 4.700 4.700 4.381 0.319 19079 10535 1 15 . 1 1 20 20 THR C C 20 171.105 171.105 174.496 -3.391 19079 10536 1 15 . 1 1 20 20 THR CA C 20 58.570 58.570 62.467 -3.897 19079 10537 1 15 . 1 1 20 20 THR CB C 20 69.724 69.724 70.308 -0.584 19079 10538 1 15 . 1 1 20 20 THR H H 20 7.399 7.399 7.262 0.137 19079 10539 1 15 . 1 1 21 21 THR N N 21 114.194 114.194 120.681 -6.487 19079 10540 1 15 . 1 1 21 21 THR HA H 21 5.124 5.124 4.027 1.097 19079 10541 1 15 . 1 1 21 21 THR CA C 21 58.991 58.991 62.488 -3.497 19079 10542 1 15 . 1 1 21 21 THR CB C 21 71.564 71.564 68.747 2.817 19079 10543 1 15 . 1 1 21 21 THR H H 21 8.410 8.410 7.642 0.768 19079 10544 1 15 . 1 1 22 22 PRO HA H 22 4.432 4.432 4.503 -0.071 19079 10545 1 15 . 1 1 22 22 PRO C C 22 175.895 175.895 176.869 -0.974 19079 10546 1 15 . 1 1 22 22 PRO CA C 22 63.390 63.390 62.665 0.725 19079 10547 1 15 . 1 1 22 22 PRO CB C 22 32.203 32.203 32.004 0.199 19079 10548 1 15 . 1 1 23 23 ASN N N 23 119.233 119.233 117.322 1.911 19079 10549 1 15 . 1 1 23 23 ASN HA H 23 5.032 5.032 4.514 0.518 19079 10550 1 15 . 1 1 23 23 ASN C C 23 175.963 175.963 175.775 0.188 19079 10551 1 15 . 1 1 23 23 ASN CA C 23 52.452 52.452 53.708 -1.256 19079 10552 1 15 . 1 1 23 23 ASN CB C 23 41.420 41.420 38.809 2.611 19079 10553 1 15 . 1 1 23 23 ASN H H 23 9.227 9.227 8.417 0.810 19079 10554 1 15 . 1 1 24 24 ASP N N 24 119.074 119.074 118.178 0.896 19079 10555 1 15 . 1 1 24 24 ASP HA H 24 4.417 4.417 4.678 -0.261 19079 10556 1 15 . 1 1 24 24 ASP C C 24 176.983 176.983 176.026 0.957 19079 10557 1 15 . 1 1 24 24 ASP CA C 24 56.942 56.942 54.552 2.390 19079 10558 1 15 . 1 1 24 24 ASP CB C 24 40.266 40.266 40.811 -0.545 19079 10559 1 15 . 1 1 24 24 ASP H H 24 8.649 8.649 8.589 0.060 19079 10560 1 15 . 1 1 25 25 GLN N N 25 116.580 116.580 117.264 -0.684 19079 10561 1 15 . 1 1 25 25 GLN HA H 25 4.425 4.425 4.436 -0.011 19079 10562 1 15 . 1 1 25 25 GLN C C 25 177.373 177.373 176.508 0.865 19079 10563 1 15 . 1 1 25 25 GLN CA C 25 55.419 55.419 55.959 -0.540 19079 10564 1 15 . 1 1 25 25 GLN CB C 25 28.933 28.933 29.097 -0.164 19079 10565 1 15 . 1 1 25 25 GLN H H 25 9.028 9.028 8.191 0.837 19079 10566 1 15 . 1 1 26 26 THR N N 26 122.196 122.196 111.323 10.873 19079 10567 1 15 . 1 1 26 26 THR HA H 26 4.779 4.779 4.245 0.534 19079 10568 1 15 . 1 1 26 26 THR C C 26 174.583 174.583 174.337 0.246 19079 10569 1 15 . 1 1 26 26 THR CA C 26 65.218 65.218 63.232 1.986 19079 10570 1 15 . 1 1 26 26 THR CB C 26 68.963 68.963 69.683 -0.720 19079 10571 1 15 . 1 1 26 26 THR H H 26 7.692 7.692 7.472 0.220 19079 10572 1 15 . 1 1 27 27 ILE N N 27 129.367 129.367 118.790 10.577 19079 10573 1 15 . 1 1 27 27 ILE HA H 27 4.112 4.112 4.272 -0.160 19079 10574 1 15 . 1 1 27 27 ILE C C 27 175.734 175.734 175.162 0.572 19079 10575 1 15 . 1 1 27 27 ILE CA C 27 62.558 62.558 61.815 0.743 19079 10576 1 15 . 1 1 27 27 ILE CB C 27 40.357 40.357 39.688 0.669 19079 10577 1 15 . 1 1 27 27 ILE H H 27 9.785 9.785 8.399 1.386 19079 10578 1 15 . 1 1 28 28 LEU N N 28 120.773 120.773 121.690 -0.917 19079 10579 1 15 . 1 1 28 28 LEU HA H 28 4.506 4.506 4.657 -0.151 19079 10580 1 15 . 1 1 28 28 LEU C C 28 173.083 173.083 174.467 -1.384 19079 10581 1 15 . 1 1 28 28 LEU CA C 28 55.337 55.337 54.168 1.169 19079 10582 1 15 . 1 1 28 28 LEU CB C 28 45.942 45.942 44.709 1.233 19079 10583 1 15 . 1 1 28 28 LEU H H 28 7.814 7.814 7.584 0.230 19079 10584 1 15 . 1 1 29 29 LEU N N 29 128.285 128.285 121.464 6.821 19079 10585 1 15 . 1 1 29 29 LEU HA H 29 4.798 4.798 5.413 -0.615 19079 10586 1 15 . 1 1 29 29 LEU C C 29 174.589 174.589 175.405 -0.816 19079 10587 1 15 . 1 1 29 29 LEU CA C 29 54.133 54.133 53.776 0.357 19079 10588 1 15 . 1 1 29 29 LEU CB C 29 43.909 43.909 46.362 -2.453 19079 10589 1 15 . 1 1 29 29 LEU H H 29 8.653 8.653 8.131 0.522 19079 10590 1 15 . 1 1 30 30 ALA N N 30 132.532 132.532 125.203 7.329 19079 10591 1 15 . 1 1 30 30 ALA HA H 30 4.995 4.995 4.905 0.090 19079 10592 1 15 . 1 1 30 30 ALA C C 30 177.994 177.994 177.561 0.433 19079 10593 1 15 . 1 1 30 30 ALA CA C 30 49.621 49.621 50.629 -1.008 19079 10594 1 15 . 1 1 30 30 ALA CB C 30 18.022 18.022 20.468 -2.446 19079 10595 1 15 . 1 1 30 30 ALA H H 30 9.179 9.179 8.480 0.699 19079 10596 1 15 . 1 1 31 31 LEU N N 31 126.651 126.651 125.272 1.379 19079 10597 1 15 . 1 1 31 31 LEU HA H 31 4.619 4.619 4.199 0.420 19079 10598 1 15 . 1 1 31 31 LEU CA C 31 59.032 59.032 57.093 1.939 19079 10599 1 15 . 1 1 31 31 LEU CB C 31 41.356 41.356 40.336 1.020 19079 10600 1 15 . 1 1 31 31 LEU H H 31 8.828 8.828 9.057 -0.229 19079 10601 1 15 . 1 1 32 32 THR HA H 32 4.283 4.283 3.902 0.381 19079 10602 1 15 . 1 1 32 32 THR C C 32 173.341 173.341 175.191 -1.850 19079 10603 1 15 . 1 1 32 32 THR CA C 32 63.443 63.443 64.439 -0.996 19079 10604 1 15 . 1 1 32 32 THR CB C 32 68.639 68.639 68.791 -0.152 19079 10605 1 15 . 1 1 32 32 THR H H 32 8.105 8.105 8.062 0.043 19079 10606 1 15 . 1 1 33 33 ALA N N 33 122.960 122.960 121.380 1.580 19079 10607 1 15 . 1 1 33 33 ALA HA H 33 5.301 5.301 4.356 0.945 19079 10608 1 15 . 1 1 33 33 ALA C C 33 175.467 175.467 176.208 -0.741 19079 10609 1 15 . 1 1 33 33 ALA CA C 33 50.782 50.782 50.851 -0.069 19079 10610 1 15 . 1 1 33 33 ALA CB C 33 20.256 20.256 20.359 -0.103 19079 10611 1 15 . 1 1 33 33 ALA H H 33 7.328 7.328 7.719 -0.391 19079 10612 1 15 . 1 1 34 34 ASP N N 34 115.713 115.713 117.432 -1.719 19079 10613 1 15 . 1 1 34 34 ASP HA H 34 4.194 4.194 4.189 0.005 19079 10614 1 15 . 1 1 34 34 ASP C C 34 175.750 175.750 174.692 1.058 19079 10615 1 15 . 1 1 34 34 ASP CA C 34 55.269 55.269 55.387 -0.118 19079 10616 1 15 . 1 1 34 34 ASP CB C 34 40.525 40.525 39.833 0.692 19079 10617 1 15 . 1 1 34 34 ASP H H 34 7.927 7.927 7.874 0.053 19079 10618 1 15 . 1 1 35 35 LEU N N 35 119.485 119.485 118.084 1.401 19079 10619 1 15 . 1 1 35 35 LEU HA H 35 5.102 5.102 4.664 0.438 19079 10620 1 15 . 1 1 35 35 LEU C C 35 173.060 173.060 174.640 -1.580 19079 10621 1 15 . 1 1 35 35 LEU CA C 35 54.268 54.268 53.744 0.524 19079 10622 1 15 . 1 1 35 35 LEU CB C 35 47.326 47.326 44.673 2.653 19079 10623 1 15 . 1 1 35 35 LEU H H 35 7.820 7.820 7.132 0.688 19079 10624 1 15 . 1 1 36 36 GLN N N 36 127.748 127.748 122.050 5.698 19079 10625 1 15 . 1 1 36 36 GLN HA H 36 4.790 4.790 4.748 0.042 19079 10626 1 15 . 1 1 36 36 GLN C C 36 173.161 173.161 174.469 -1.308 19079 10627 1 15 . 1 1 36 36 GLN CA C 36 55.286 55.286 54.467 0.819 19079 10628 1 15 . 1 1 36 36 GLN CB C 36 32.594 32.594 32.925 -0.331 19079 10629 1 15 . 1 1 36 36 GLN H H 36 9.050 9.050 8.321 0.729 19079 10630 1 15 . 1 1 37 37 ILE N N 37 125.606 125.606 120.715 4.891 19079 10631 1 15 . 1 1 37 37 ILE HA H 37 4.807 4.807 4.743 0.064 19079 10632 1 15 . 1 1 37 37 ILE C C 37 174.921 174.921 174.438 0.483 19079 10633 1 15 . 1 1 37 37 ILE CA C 37 59.869 59.869 59.673 0.196 19079 10634 1 15 . 1 1 37 37 ILE CB C 37 39.750 39.750 41.283 -1.533 19079 10635 1 15 . 1 1 37 37 ILE H H 37 8.828 8.828 7.950 0.878 19079 10636 1 15 . 1 1 38 38 ASP N N 38 128.163 128.163 124.266 3.897 19079 10637 1 15 . 1 1 38 38 ASP HA H 38 5.259 5.259 4.953 0.306 19079 10638 1 15 . 1 1 38 38 ASP C C 38 176.122 176.122 175.212 0.910 19079 10639 1 15 . 1 1 38 38 ASP CA C 38 52.316 52.316 51.986 0.330 19079 10640 1 15 . 1 1 38 38 ASP CB C 38 43.251 43.251 44.628 -1.377 19079 10641 1 15 . 1 1 38 38 ASP H H 38 9.226 9.226 8.139 1.087 19079 10642 1 15 . 1 1 39 39 GLY N N 39 107.273 107.273 107.339 -0.066 19079 10643 1 15 . 1 1 39 39 GLY C C 39 171.808 171.808 173.147 -1.339 19079 10644 1 15 . 1 1 39 39 GLY CA C 39 45.108 45.108 44.244 0.864 19079 10645 1 15 . 1 1 39 39 GLY H H 39 8.682 8.682 8.486 0.196 19079 10646 1 15 . 1 1 40 40 CYS N N 40 114.602 114.602 118.378 -3.776 19079 10647 1 15 . 1 1 40 40 CYS HA H 40 4.832 4.832 4.537 0.295 19079 10648 1 15 . 1 1 40 40 CYS CA C 40 55.517 55.517 58.817 -3.300 19079 10649 1 15 . 1 1 40 40 CYS CB C 40 30.872 30.872 30.898 -0.026 19079 10650 1 15 . 1 1 40 40 CYS H H 40 7.784 7.784 8.049 -0.265 19079 10651 1 15 . 1 1 41 41 ASP N N 41 121.388 121.388 121.488 -0.100 19079 10652 1 15 . 1 1 41 41 ASP HA H 41 4.618 4.618 4.732 -0.114 19079 10653 1 15 . 1 1 41 41 ASP CA C 41 54.808 54.808 54.425 0.383 19079 10654 1 15 . 1 1 41 41 ASP CB C 41 41.299 41.299 41.222 0.077 19079 10655 1 15 . 1 1 41 41 ASP H H 41 8.496 8.496 8.390 0.106 19079 10656 1 15 . 1 1 42 42 GLN N N 42 118.506 118.506 119.817 -1.311 19079 10657 1 15 . 1 1 42 42 GLN HA H 42 4.900 4.900 4.612 0.288 19079 10658 1 15 . 1 1 42 42 GLN CA C 42 52.529 52.529 53.574 -1.045 19079 10659 1 15 . 1 1 42 42 GLN CB C 42 30.580 30.580 28.443 2.137 19079 10660 1 15 . 1 1 42 42 GLN H H 42 7.592 7.592 7.712 -0.120 19079 10661 1 15 . 1 1 43 43 PRO HA H 43 4.438 4.438 4.390 0.048 19079 10662 1 15 . 1 1 43 43 PRO CA C 43 63.283 63.283 62.607 0.676 19079 10663 1 15 . 1 1 43 43 PRO CB C 43 32.178 32.178 32.504 -0.326 19079 10664 1 15 . 1 1 44 44 GLY N N 44 109.062 109.062 105.811 3.251 19079 10665 1 15 . 1 1 44 44 GLY CA C 44 45.265 45.265 44.813 0.452 19079 10666 1 15 . 1 1 44 44 GLY H H 44 8.249 8.249 8.304 -0.055 19079 10667 1 15 . 1 1 45 45 PRO HA H 45 4.535 4.535 4.428 0.107 19079 10668 1 15 . 1 1 45 45 PRO CA C 45 63.511 63.511 62.709 0.802 19079 10669 1 15 . 1 1 45 45 PRO CB C 45 33.193 33.193 31.078 2.115 19079 10670 1 15 . 1 1 46 46 ASP N N 46 121.254 121.254 124.344 -3.090 19079 10671 1 15 . 1 1 46 46 ASP HA H 46 4.784 4.784 4.710 0.074 19079 10672 1 15 . 1 1 46 46 ASP C C 46 174.555 174.555 174.530 0.025 19079 10673 1 15 . 1 1 46 46 ASP CA C 46 55.268 55.268 54.366 0.902 19079 10674 1 15 . 1 1 46 46 ASP CB C 46 43.360 43.360 43.380 -0.020 19079 10675 1 15 . 1 1 46 46 ASP H H 46 8.533 8.533 8.064 0.469 19079 10676 1 15 . 1 1 47 47 ASN N N 47 118.452 118.452 121.295 -2.843 19079 10677 1 15 . 1 1 47 47 ASN HA H 47 4.912 4.912 4.843 0.069 19079 10678 1 15 . 1 1 47 47 ASN C C 47 172.394 172.394 174.812 -2.418 19079 10679 1 15 . 1 1 47 47 ASN CA C 47 52.877 52.877 52.479 0.398 19079 10680 1 15 . 1 1 47 47 ASN CB C 47 42.185 42.185 39.292 2.893 19079 10681 1 15 . 1 1 47 47 ASN H H 47 8.668 8.668 8.468 0.200 19079 10682 1 15 . 1 1 48 48 ILE N N 48 126.910 126.910 125.376 1.534 19079 10683 1 15 . 1 1 48 48 ILE HA H 48 5.269 5.269 3.973 1.296 19079 10684 1 15 . 1 1 48 48 ILE CA C 48 57.457 57.457 60.875 -3.418 19079 10685 1 15 . 1 1 48 48 ILE CB C 48 39.411 39.411 37.514 1.897 19079 10686 1 15 . 1 1 48 48 ILE H H 48 8.377 8.377 8.268 0.109 19079 10687 1 15 . 1 1 49 49 PRO HA H 49 4.571 4.571 4.433 0.138 19079 10688 1 15 . 1 1 49 49 PRO CA C 49 62.019 62.019 62.451 -0.432 19079 10689 1 15 . 1 1 49 49 PRO CB C 49 34.068 34.068 32.708 1.360 19079 10690 1 15 . 1 1 50 50 ASP N N 50 117.512 117.512 117.079 0.433 19079 10691 1 15 . 1 1 50 50 ASP HA H 50 4.847 4.847 4.965 -0.118 19079 10692 1 15 . 1 1 50 50 ASP C C 50 175.105 175.105 175.224 -0.119 19079 10693 1 15 . 1 1 50 50 ASP CA C 50 52.186 52.186 54.455 -2.269 19079 10694 1 15 . 1 1 50 50 ASP CB C 50 40.206 40.206 41.142 -0.936 19079 10695 1 15 . 1 1 50 50 ASP H H 50 7.928 7.928 8.536 -0.608 19079 10696 1 15 . 1 1 51 51 CYS N N 51 117.841 117.841 120.713 -2.872 19079 10697 1 15 . 1 1 51 51 CYS HA H 51 4.645 4.645 4.595 0.050 19079 10698 1 15 . 1 1 51 51 CYS C C 51 173.952 173.952 173.456 0.496 19079 10699 1 15 . 1 1 51 51 CYS CA C 51 57.079 57.079 59.364 -2.285 19079 10700 1 15 . 1 1 51 51 CYS CB C 51 31.834 31.834 29.314 2.520 19079 10701 1 15 . 1 1 51 51 CYS H H 51 6.998 6.998 8.506 -1.508 19079 10702 1 15 . 1 1 52 52 ASP N N 52 113.831 113.831 122.367 -8.536 19079 10703 1 15 . 1 1 52 52 ASP HA H 52 4.790 4.790 4.343 0.447 19079 10704 1 15 . 1 1 52 52 ASP C C 52 177.522 177.522 174.936 2.586 19079 10705 1 15 . 1 1 52 52 ASP CA C 52 52.266 52.266 54.773 -2.507 19079 10706 1 15 . 1 1 52 52 ASP CB C 52 41.108 41.108 39.154 1.954 19079 10707 1 15 . 1 1 52 52 ASP H H 52 7.839 7.839 8.500 -0.661 19079 10708 1 15 . 1 1 53 53 CYS N N 53 120.924 120.924 121.310 -0.386 19079 10709 1 15 . 1 1 53 53 CYS HA H 53 4.176 4.176 4.454 -0.278 19079 10710 1 15 . 1 1 53 53 CYS C C 53 177.320 177.320 175.615 1.705 19079 10711 1 15 . 1 1 53 53 CYS CA C 53 62.456 62.456 58.546 3.910 19079 10712 1 15 . 1 1 53 53 CYS CB C 53 31.077 31.077 29.275 1.802 19079 10713 1 15 . 1 1 53 53 CYS H H 53 8.180 8.180 8.121 0.059 19079 10714 1 15 . 1 1 54 54 THR N N 54 108.381 108.381 111.701 -3.320 19079 10715 1 15 . 1 1 54 54 THR HA H 54 4.168 4.168 4.332 -0.164 19079 10716 1 15 . 1 1 54 54 THR C C 54 172.044 172.044 174.910 -2.866 19079 10717 1 15 . 1 1 54 54 THR CA C 54 60.645 60.645 64.046 -3.401 19079 10718 1 15 . 1 1 54 54 THR CB C 54 69.425 69.425 69.422 0.003 19079 10719 1 15 . 1 1 54 54 THR H H 54 8.728 8.728 8.145 0.583 19079 10720 1 15 . 1 1 55 55 SER N N 55 114.465 114.465 118.281 -3.816 19079 10721 1 15 . 1 1 55 55 SER HA H 55 4.906 4.906 4.942 -0.036 19079 10722 1 15 . 1 1 55 55 SER C C 55 172.897 172.897 174.601 -1.704 19079 10723 1 15 . 1 1 55 55 SER CA C 55 56.279 56.279 56.846 -0.567 19079 10724 1 15 . 1 1 55 55 SER CB C 55 66.156 66.156 63.467 2.689 19079 10725 1 15 . 1 1 55 55 SER H H 55 7.433 7.433 7.926 -0.493 19079 10726 1 15 . 1 1 56 56 GLY N N 56 106.492 106.492 113.805 -7.313 19079 10727 1 15 . 1 1 56 56 GLY C C 56 172.400 172.400 172.202 0.198 19079 10728 1 15 . 1 1 56 56 GLY CA C 56 46.778 46.778 44.337 2.441 19079 10729 1 15 . 1 1 56 56 GLY H H 56 8.431 8.431 8.377 0.054 19079 10730 1 15 . 1 1 57 57 CYS N N 57 123.907 123.907 117.366 6.541 19079 10731 1 15 . 1 1 57 57 CYS HA H 57 5.755 5.755 5.713 0.042 19079 10732 1 15 . 1 1 57 57 CYS C C 57 171.012 171.012 173.185 -2.173 19079 10733 1 15 . 1 1 57 57 CYS CA C 57 54.317 54.317 56.787 -2.470 19079 10734 1 15 . 1 1 57 57 CYS CB C 57 32.040 32.040 30.723 1.317 19079 10735 1 15 . 1 1 57 57 CYS H H 57 9.782 9.782 8.685 1.097 19079 10736 1 15 . 1 1 58 58 TYR N N 58 121.251 121.251 122.179 -0.928 19079 10737 1 15 . 1 1 58 58 TYR HA H 58 6.413 6.413 5.634 0.779 19079 10738 1 15 . 1 1 58 58 TYR C C 58 172.177 172.177 173.551 -1.374 19079 10739 1 15 . 1 1 58 58 TYR CA C 58 54.179 54.179 54.192 -0.013 19079 10740 1 15 . 1 1 58 58 TYR CB C 58 44.751 44.751 41.778 2.973 19079 10741 1 15 . 1 1 58 58 TYR H H 58 9.324 9.324 8.916 0.408 19079 10742 1 15 . 1 1 59 59 TYR N N 59 119.921 119.921 125.965 -6.044 19079 10743 1 15 . 1 1 59 59 TYR HA H 59 3.155 3.155 3.579 -0.424 19079 10744 1 15 . 1 1 59 59 TYR C C 59 173.490 173.490 174.255 -0.765 19079 10745 1 15 . 1 1 59 59 TYR CA C 59 56.439 56.439 56.930 -0.491 19079 10746 1 15 . 1 1 59 59 TYR CB C 59 38.280 38.280 37.347 0.933 19079 10747 1 15 . 1 1 59 59 TYR H H 59 7.851 7.851 7.655 0.196 19079 10748 1 15 . 1 1 60 60 SER N N 60 122.333 122.333 121.971 0.362 19079 10749 1 15 . 1 1 60 60 SER HA H 60 4.286 4.286 4.191 0.095 19079 10750 1 15 . 1 1 60 60 SER C C 60 174.282 174.282 175.159 -0.877 19079 10751 1 15 . 1 1 60 60 SER CA C 60 54.201 54.201 56.777 -2.576 19079 10752 1 15 . 1 1 60 60 SER CB C 60 63.429 63.429 63.887 -0.458 19079 10753 1 15 . 1 1 60 60 SER H H 60 7.184 7.184 7.967 -0.783 19079 10754 1 15 . 1 1 61 61 ARG N N 61 131.876 131.876 128.568 3.308 19079 10755 1 15 . 1 1 61 61 ARG HA H 61 3.755 3.755 3.906 -0.151 19079 10756 1 15 . 1 1 61 61 ARG C C 61 179.454 179.454 177.600 1.854 19079 10757 1 15 . 1 1 61 61 ARG CA C 61 58.733 58.733 57.866 0.867 19079 10758 1 15 . 1 1 61 61 ARG CB C 61 29.216 29.216 29.394 -0.178 19079 10759 1 15 . 1 1 61 61 ARG H H 61 9.058 9.058 8.716 0.342 19079 10760 1 15 . 1 1 62 62 SER N N 62 115.806 115.806 113.325 2.481 19079 10761 1 15 . 1 1 62 62 SER HA H 62 4.021 4.021 4.267 -0.246 19079 10762 1 15 . 1 1 62 62 SER C C 62 177.405 177.405 175.092 2.313 19079 10763 1 15 . 1 1 62 62 SER CA C 62 60.787 60.787 60.611 0.176 19079 10764 1 15 . 1 1 62 62 SER CB C 62 60.994 60.994 63.256 -2.262 19079 10765 1 15 . 1 1 62 62 SER H H 62 8.933 8.933 8.245 0.688 19079 10766 1 15 . 1 1 63 63 LEU N N 63 120.142 120.142 119.404 0.738 19079 10767 1 15 . 1 1 63 63 LEU HA H 63 4.315 4.315 4.539 -0.224 19079 10768 1 15 . 1 1 63 63 LEU C C 63 175.462 175.462 176.113 -0.651 19079 10769 1 15 . 1 1 63 63 LEU CA C 63 54.589 54.589 53.796 0.793 19079 10770 1 15 . 1 1 63 63 LEU CB C 63 41.583 41.583 42.292 -0.709 19079 10771 1 15 . 1 1 63 63 LEU H H 63 7.372 7.372 7.067 0.305 19079 10772 1 15 . 1 1 64 64 ASP N N 64 124.723 124.723 118.628 6.095 19079 10773 1 15 . 1 1 64 64 ASP HA H 64 4.308 4.308 4.089 0.219 19079 10774 1 15 . 1 1 64 64 ASP C C 64 174.405 174.405 174.614 -0.209 19079 10775 1 15 . 1 1 64 64 ASP CA C 64 54.269 54.269 55.153 -0.884 19079 10776 1 15 . 1 1 64 64 ASP CB C 64 39.892 39.892 40.073 -0.181 19079 10777 1 15 . 1 1 64 64 ASP H H 64 8.122 8.122 7.591 0.531 19079 10778 1 15 . 1 1 65 65 ARG N N 65 111.932 111.932 113.534 -1.602 19079 10779 1 15 . 1 1 65 65 ARG HA H 65 4.648 4.648 4.607 0.041 19079 10780 1 15 . 1 1 65 65 ARG C C 65 172.842 172.842 174.077 -1.235 19079 10781 1 15 . 1 1 65 65 ARG CA C 65 54.327 54.327 54.832 -0.505 19079 10782 1 15 . 1 1 65 65 ARG CB C 65 33.013 33.013 31.616 1.397 19079 10783 1 15 . 1 1 65 65 ARG H H 65 7.434 7.434 7.676 -0.242 19079 10784 1 15 . 1 1 66 66 TYR N N 66 121.286 121.286 122.263 -0.977 19079 10785 1 15 . 1 1 66 66 TYR HA H 66 4.821 4.821 4.749 0.072 19079 10786 1 15 . 1 1 66 66 TYR C C 66 176.123 176.123 176.398 -0.275 19079 10787 1 15 . 1 1 66 66 TYR CA C 66 56.752 56.752 59.416 -2.664 19079 10788 1 15 . 1 1 66 66 TYR CB C 66 41.877 41.877 39.209 2.668 19079 10789 1 15 . 1 1 66 66 TYR H H 66 8.068 8.068 8.706 -0.638 19079 10790 1 15 . 1 1 67 67 ILE N N 67 119.080 119.080 119.997 -0.917 19079 10791 1 15 . 1 1 67 67 ILE HA H 67 4.620 4.620 4.833 -0.213 19079 10792 1 15 . 1 1 67 67 ILE CA C 67 57.840 57.840 57.198 0.642 19079 10793 1 15 . 1 1 67 67 ILE CB C 67 41.191 41.191 41.488 -0.297 19079 10794 1 15 . 1 1 67 67 ILE H H 67 8.640 8.640 8.666 -0.026 19079 10795 1 15 . 1 1 68 68 PRO HA H 68 4.772 4.772 5.000 -0.228 19079 10796 1 15 . 1 1 68 68 PRO CA C 68 62.709 62.709 62.752 -0.043 19079 10797 1 15 . 1 1 68 68 PRO CB C 68 32.923 32.923 31.768 1.155 19079 10798 1 15 . 1 1 69 69 VAL N N 69 120.668 120.668 119.567 1.101 19079 10799 1 15 . 1 1 69 69 VAL HA H 69 4.764 4.764 4.681 0.083 19079 10800 1 15 . 1 1 69 69 VAL C C 69 171.299 171.299 174.096 -2.797 19079 10801 1 15 . 1 1 69 69 VAL CA C 69 60.758 60.758 58.990 1.768 19079 10802 1 15 . 1 1 69 69 VAL CB C 69 36.158 36.158 36.011 0.147 19079 10803 1 15 . 1 1 69 69 VAL H H 69 8.866 8.866 8.693 0.173 19079 10804 1 15 . 1 1 70 70 GLU N N 70 127.352 127.352 121.573 5.779 19079 10805 1 15 . 1 1 70 70 GLU HA H 70 4.694 4.694 4.934 -0.240 19079 10806 1 15 . 1 1 70 70 GLU C C 70 176.084 176.084 175.643 0.441 19079 10807 1 15 . 1 1 70 70 GLU CA C 70 55.438 55.438 55.352 0.086 19079 10808 1 15 . 1 1 70 70 GLU CB C 70 31.941 31.941 30.819 1.122 19079 10809 1 15 . 1 1 70 70 GLU H H 70 8.303 8.303 8.515 -0.212 19079 10810 1 15 . 1 1 71 71 CYS N N 71 118.985 118.985 122.895 -3.910 19079 10811 1 15 . 1 1 71 71 CYS HA H 71 5.283 5.283 5.437 -0.154 19079 10812 1 15 . 1 1 71 71 CYS C C 71 173.987 173.987 173.391 0.596 19079 10813 1 15 . 1 1 71 71 CYS CA C 71 56.927 56.927 55.409 1.518 19079 10814 1 15 . 1 1 71 71 CYS CB C 71 32.056 32.056 32.119 -0.063 19079 10815 1 15 . 1 1 71 71 CYS H H 71 8.044 8.044 9.014 -0.970 19079 10816 1 15 . 1 1 72 72 GLU N N 72 119.188 119.188 118.045 1.143 19079 10817 1 15 . 1 1 72 72 GLU HA H 72 4.550 4.550 4.484 0.066 19079 10818 1 15 . 1 1 72 72 GLU C C 72 175.540 175.540 174.970 0.570 19079 10819 1 15 . 1 1 72 72 GLU CA C 72 54.422 54.422 54.222 0.200 19079 10820 1 15 . 1 1 72 72 GLU CB C 72 32.723 32.723 31.304 1.419 19079 10821 1 15 . 1 1 72 72 GLU H H 72 8.651 8.651 8.715 -0.064 19079 10822 1 15 . 1 1 73 73 ALA N N 73 128.127 128.127 127.421 0.706 19079 10823 1 15 . 1 1 73 73 ALA HA H 73 4.894 4.894 4.557 0.337 19079 10824 1 15 . 1 1 73 73 ALA C C 73 177.065 177.065 176.604 0.461 19079 10825 1 15 . 1 1 73 73 ALA CA C 73 51.934 51.934 51.160 0.773 19079 10826 1 15 . 1 1 73 73 ALA CB C 73 19.744 19.744 19.357 0.387 19079 10827 1 15 . 1 1 73 73 ALA H H 73 8.825 8.825 8.431 0.394 19079 10828 1 15 . 1 1 74 74 HIS N N 74 120.049 120.049 124.752 -4.703 19079 10829 1 15 . 1 1 74 74 HIS HA H 74 4.730 4.730 4.646 0.084 19079 10830 1 15 . 1 1 74 74 HIS C C 74 173.973 173.973 175.665 -1.692 19079 10831 1 15 . 1 1 74 74 HIS CA C 74 54.940 54.940 55.100 -0.161 19079 10832 1 15 . 1 1 74 74 HIS CB C 74 32.641 32.641 31.504 1.137 19079 10833 1 15 . 1 1 74 74 HIS H H 74 8.813 8.813 8.935 -0.122 19079 10834 1 15 . 1 1 75 75 ASP N N 75 125.469 125.469 124.455 1.014 19079 10835 1 15 . 1 1 75 75 ASP HA H 75 4.619 4.619 4.516 0.103 19079 10836 1 15 . 1 1 75 75 ASP CA C 75 57.576 57.576 57.151 0.425 19079 10837 1 15 . 1 1 75 75 ASP CB C 75 42.215 42.215 41.277 0.938 19079 10838 1 15 . 1 1 75 75 ASP H H 75 8.951 8.951 8.892 0.059 19079 10839 1 15 . 1 1 76 76 TRP N N 76 113.768 113.768 114.183 -0.415 19079 10840 1 15 . 1 1 76 76 TRP HA H 76 5.455 5.455 5.213 0.242 19079 10841 1 15 . 1 1 76 76 TRP CA C 76 54.833 54.833 56.691 -1.859 19079 10842 1 15 . 1 1 76 76 TRP CB C 76 31.701 31.701 30.852 0.849 19079 10843 1 15 . 1 1 76 76 TRP H H 76 7.574 7.574 7.151 0.423 19079 10844 1 15 . 1 1 77 77 TYR N N 77 122.650 122.650 121.251 1.399 19079 10845 1 15 . 1 1 77 77 TYR CA C 77 57.248 57.248 55.345 1.903 19079 10846 1 15 . 1 1 77 77 TYR CB C 77 33.700 33.700 41.705 -8.005 19079 10847 1 15 . 1 1 77 77 TYR H H 77 8.981 8.981 8.275 0.706 19079 10848 1 15 . 1 1 78 78 PRO HA H 78 4.493 4.493 4.694 -0.201 19079 10849 1 15 . 1 1 78 78 PRO CA C 78 62.242 62.242 62.843 -0.601 19079 10850 1 15 . 1 1 78 78 PRO CB C 78 31.237 31.237 32.105 -0.868 19079 10851 1 15 . 1 1 79 79 VAL N N 79 123.871 123.871 124.771 -0.900 19079 10852 1 15 . 1 1 79 79 VAL HA H 79 3.953 3.953 4.444 -0.491 19079 10853 1 15 . 1 1 79 79 VAL C C 79 174.991 174.991 174.493 0.498 19079 10854 1 15 . 1 1 79 79 VAL CA C 79 61.545 61.545 59.954 1.591 19079 10855 1 15 . 1 1 79 79 VAL CB C 79 33.090 33.090 33.372 -0.282 19079 10856 1 15 . 1 1 79 79 VAL H H 79 8.512 8.512 9.041 -0.529 19079 10857 1 15 . 1 1 80 80 GLU N N 80 124.050 124.050 130.316 -6.266 19079 10858 1 15 . 1 1 80 80 GLU HA H 80 4.072 4.072 4.272 -0.200 19079 10859 1 15 . 1 1 80 80 GLU C C 80 175.607 175.607 175.252 0.355 19079 10860 1 15 . 1 1 80 80 GLU CA C 80 56.291 56.291 55.303 0.988 19079 10861 1 15 . 1 1 80 80 GLU CB C 80 30.272 30.272 27.833 2.439 19079 10862 1 15 . 1 1 80 80 GLU H H 80 8.068 8.068 8.950 -0.882 19079 10863 1 15 . 1 1 81 81 GLU N N 81 120.701 120.701 122.330 -1.629 19079 10864 1 15 . 1 1 81 81 GLU HA H 81 4.194 4.194 3.962 0.232 19079 10865 1 15 . 1 1 81 81 GLU C C 81 175.817 175.817 175.229 0.588 19079 10866 1 15 . 1 1 81 81 GLU CA C 81 57.390 57.390 57.619 -0.229 19079 10867 1 15 . 1 1 81 81 GLU CB C 81 30.713 30.713 28.691 2.022 19079 10868 1 15 . 1 1 81 81 GLU H H 81 8.751 8.751 8.684 0.067 19079 10869 1 15 . 1 1 82 82 THR N N 82 115.162 115.162 119.007 -3.845 19079 10870 1 15 . 1 1 82 82 THR HA H 82 4.688 4.688 4.496 0.192 19079 10871 1 15 . 1 1 82 82 THR CA C 82 60.041 60.041 62.132 -2.091 19079 10872 1 15 . 1 1 82 82 THR CB C 82 73.866 73.866 70.052 3.814 19079 10873 1 15 . 1 1 82 82 THR H H 82 8.631 8.631 8.684 -0.053 19079 10874 1 15 . 1 1 83 83 GLN N N 83 116.650 116.650 122.321 -5.671 19079 10875 1 15 . 1 1 83 83 GLN HA H 83 4.629 4.629 4.032 0.597 19079 10876 1 15 . 1 1 83 83 GLN CA C 83 57.643 57.643 58.599 -0.956 19079 10877 1 15 . 1 1 83 83 GLN CB C 83 30.537 30.537 27.846 2.691 19079 10878 1 15 . 1 1 83 83 GLN H H 83 8.714 8.714 8.808 -0.094 19079 10879 1 15 . 1 1 86 86 PRO HA H 86 4.779 4.779 4.481 0.298 19079 10880 1 15 . 1 1 86 86 PRO CA C 86 62.018 62.018 62.419 -0.401 19079 10881 1 15 . 1 1 86 86 PRO CB C 86 32.818 32.818 32.520 0.298 19079 10882 1 15 . 1 1 87 87 LYS N N 87 123.136 123.136 120.646 2.490 19079 10883 1 15 . 1 1 87 87 LYS HA H 87 4.545 4.545 4.412 0.133 19079 10884 1 15 . 1 1 87 87 LYS C C 87 176.411 176.411 176.425 -0.014 19079 10885 1 15 . 1 1 87 87 LYS CA C 87 57.800 57.800 57.946 -0.146 19079 10886 1 15 . 1 1 87 87 LYS CB C 87 32.322 32.322 32.102 0.220 19079 10887 1 15 . 1 1 87 87 LYS H H 87 8.936 8.936 8.328 0.608 19079 10888 1 15 . 1 1 88 88 HIS N N 88 119.788 119.788 121.532 -1.744 19079 10889 1 15 . 1 1 88 88 HIS HA H 88 4.973 4.973 4.607 0.366 19079 10890 1 15 . 1 1 88 88 HIS C C 88 171.431 171.431 172.993 -1.562 19079 10891 1 15 . 1 1 88 88 HIS CA C 88 55.171 55.171 55.914 -0.743 19079 10892 1 15 . 1 1 88 88 HIS CB C 88 29.695 29.695 33.380 -3.685 19079 10893 1 15 . 1 1 88 88 HIS H H 88 8.490 8.490 8.576 -0.086 19079 10894 1 15 . 1 1 89 89 ILE N N 89 120.371 120.371 120.719 -0.348 19079 10895 1 15 . 1 1 89 89 ILE HA H 89 4.453 4.453 4.702 -0.249 19079 10896 1 15 . 1 1 89 89 ILE C C 89 176.167 176.167 175.103 1.064 19079 10897 1 15 . 1 1 89 89 ILE CA C 89 60.066 60.066 58.936 1.130 19079 10898 1 15 . 1 1 89 89 ILE CB C 89 38.855 38.855 38.602 0.253 19079 10899 1 15 . 1 1 89 89 ILE H H 89 8.417 8.417 8.270 0.147 19079 10900 1 15 . 1 1 90 90 GLN N N 90 122.913 122.913 123.056 -0.143 19079 10901 1 15 . 1 1 90 90 GLN HA H 90 5.313 5.313 4.200 1.113 19079 10902 1 15 . 1 1 90 90 GLN CA C 90 54.194 54.194 54.011 0.183 19079 10903 1 15 . 1 1 90 90 GLN CB C 90 32.780 32.780 31.938 0.842 19079 10904 1 15 . 1 1 90 90 GLN H H 90 8.286 8.286 8.423 -0.137 19079 10905 1 15 . 1 1 91 91 TYR N N 91 117.779 117.779 116.468 1.311 19079 10906 1 15 . 1 1 91 91 TYR HA H 91 5.394 5.394 5.153 0.241 19079 10907 1 15 . 1 1 91 91 TYR C C 91 175.762 175.762 175.339 0.423 19079 10908 1 15 . 1 1 91 91 TYR CA C 91 56.672 56.672 56.546 0.126 19079 10909 1 15 . 1 1 91 91 TYR CB C 91 41.701 41.701 41.662 0.039 19079 10910 1 15 . 1 1 91 91 TYR H H 91 8.086 8.086 8.270 -0.184 19079 10911 1 15 . 1 1 92 92 ASN N N 92 113.182 113.182 116.675 -3.493 19079 10912 1 15 . 1 1 92 92 ASN HA H 92 4.558 4.558 4.408 0.150 19079 10913 1 15 . 1 1 92 92 ASN C C 92 172.369 172.369 173.708 -1.339 19079 10914 1 15 . 1 1 92 92 ASN CA C 92 55.522 55.522 54.370 1.152 19079 10915 1 15 . 1 1 92 92 ASN CB C 92 37.732 37.732 36.588 1.144 19079 10916 1 15 . 1 1 92 92 ASN H H 92 8.529 8.529 8.726 -0.197 19079 10917 1 15 . 1 1 93 93 LEU N N 93 117.359 117.359 119.039 -1.680 19079 10918 1 15 . 1 1 93 93 LEU HA H 93 5.455 5.455 5.410 0.045 19079 10919 1 15 . 1 1 93 93 LEU C C 93 177.709 177.709 175.355 2.354 19079 10920 1 15 . 1 1 93 93 LEU CA C 93 54.341 54.341 53.766 0.575 19079 10921 1 15 . 1 1 93 93 LEU CB C 93 47.006 47.006 45.747 1.259 19079 10922 1 15 . 1 1 93 93 LEU H H 93 7.846 7.846 8.176 -0.330 19079 10923 1 15 . 1 1 94 94 LEU N N 94 123.298 123.298 121.366 1.932 19079 10924 1 15 . 1 1 94 94 LEU HA H 94 5.014 5.014 5.536 -0.522 19079 10925 1 15 . 1 1 94 94 LEU C C 94 175.771 175.771 176.476 -0.705 19079 10926 1 15 . 1 1 94 94 LEU CA C 94 53.889 53.889 52.714 1.175 19079 10927 1 15 . 1 1 94 94 LEU CB C 94 44.784 44.784 45.780 -0.996 19079 10928 1 15 . 1 1 94 94 LEU H H 94 9.155 9.155 9.046 0.109 19079 10929 1 15 . 1 1 95 95 ILE N N 95 121.585 121.585 119.810 1.775 19079 10930 1 15 . 1 1 95 95 ILE HA H 95 5.166 5.166 4.529 0.637 19079 10931 1 15 . 1 1 95 95 ILE C C 95 175.885 175.885 174.439 1.446 19079 10932 1 15 . 1 1 95 95 ILE CA C 95 59.795 59.795 60.254 -0.459 19079 10933 1 15 . 1 1 95 95 ILE CB C 95 39.820 39.820 41.974 -2.154 19079 10934 1 15 . 1 1 95 95 ILE H H 95 8.920 8.920 8.213 0.707 19079 10935 1 15 . 1 1 96 96 GLY N N 96 115.891 115.891 113.094 2.797 19079 10936 1 15 . 1 1 96 96 GLY C C 96 171.937 171.937 172.086 -0.149 19079 10937 1 15 . 1 1 96 96 GLY CA C 96 44.865 44.865 44.788 0.077 19079 10938 1 15 . 1 1 96 96 GLY H H 96 9.223 9.223 8.650 0.573 19079 10939 1 15 . 1 1 97 97 GLU N N 97 119.340 119.340 122.532 -3.192 19079 10940 1 15 . 1 1 97 97 GLU HA H 97 4.831 4.831 4.861 -0.030 19079 10941 1 15 . 1 1 97 97 GLU C C 97 175.567 175.567 175.945 -0.378 19079 10942 1 15 . 1 1 97 97 GLU CA C 97 55.736 55.736 55.295 0.441 19079 10943 1 15 . 1 1 97 97 GLU CB C 97 31.009 31.009 30.211 0.798 19079 10944 1 15 . 1 1 97 97 GLU H H 97 8.197 8.197 8.627 -0.430 19079 10945 1 15 . 1 1 98 98 GLY N N 98 113.912 113.912 113.155 0.757 19079 10946 1 15 . 1 1 98 98 GLY CA C 98 45.089 45.089 43.464 1.625 19079 10947 1 15 . 1 1 98 98 GLY H H 98 7.767 7.767 7.533 0.234 19079 10948 1 15 . 1 1 99 99 PRO HA H 99 4.347 4.347 4.523 -0.176 19079 10949 1 15 . 1 1 99 99 PRO CA C 99 62.396 62.396 62.669 -0.273 19079 10950 1 15 . 1 1 99 99 PRO CB C 99 32.558 32.558 33.213 -0.655 19079 10951 1 15 . 1 1 100 100 CYS N N 100 122.972 122.972 117.324 5.648 19079 10952 1 15 . 1 1 100 100 CYS HA H 100 4.567 4.567 4.688 -0.121 19079 10953 1 15 . 1 1 100 100 CYS C C 100 172.077 172.077 173.338 -1.261 19079 10954 1 15 . 1 1 100 100 CYS CA C 100 60.097 60.097 56.836 3.261 19079 10955 1 15 . 1 1 100 100 CYS CB C 100 28.063 28.063 30.247 -2.183 19079 10956 1 15 . 1 1 100 100 CYS H H 100 8.219 8.219 8.210 0.009 19079 10957 1 15 . 1 1 101 101 VAL N N 101 123.973 123.973 118.504 5.469 19079 10958 1 15 . 1 1 101 101 VAL HA H 101 4.888 4.888 4.473 0.415 19079 10959 1 15 . 1 1 101 101 VAL CA C 101 58.947 58.947 59.018 -0.071 19079 10960 1 15 . 1 1 101 101 VAL CB C 101 32.322 32.322 34.372 -2.050 19079 10961 1 15 . 1 1 101 101 VAL H H 101 8.662 8.662 8.194 0.468 19079 10962 1 15 . 1 1 103 103 GLY C C 103 175.333 175.333 174.197 1.136 19079 10963 1 15 . 1 1 103 103 GLY CA C 103 45.683 45.683 45.414 0.268 19079 10964 1 15 . 1 1 104 104 ASP N N 104 121.740 121.740 122.618 -0.878 19079 10965 1 15 . 1 1 104 104 ASP HA H 104 4.836 4.836 4.483 0.353 19079 10966 1 15 . 1 1 104 104 ASP C C 104 176.601 176.601 176.441 0.160 19079 10967 1 15 . 1 1 104 104 ASP CA C 104 54.700 54.700 55.491 -0.791 19079 10968 1 15 . 1 1 104 104 ASP CB C 104 41.322 41.322 41.356 -0.034 19079 10969 1 15 . 1 1 104 104 ASP H H 104 8.217 8.217 8.004 0.213 19079 10970 1 15 . 1 1 105 105 ALA N N 105 121.750 121.750 120.502 1.248 19079 10971 1 15 . 1 1 105 105 ALA HA H 105 3.707 3.707 3.998 -0.291 19079 10972 1 15 . 1 1 105 105 ALA C C 105 175.218 175.218 177.686 -2.468 19079 10973 1 15 . 1 1 105 105 ALA CA C 105 54.002 54.002 53.501 0.501 19079 10974 1 15 . 1 1 105 105 ALA CB C 105 18.021 18.021 18.626 -0.605 19079 10975 1 15 . 1 1 105 105 ALA H H 105 7.672 7.672 7.966 -0.294 19079 10976 1 15 . 1 1 106 106 GLY N N 106 110.675 110.675 111.395 -0.720 19079 10977 1 15 . 1 1 106 106 GLY C C 106 174.112 174.112 174.840 -0.728 19079 10978 1 15 . 1 1 106 106 GLY CA C 106 45.354 45.354 44.775 0.579 19079 10979 1 15 . 1 1 106 106 GLY H H 106 8.781 8.781 8.077 0.704 19079 10980 1 15 . 1 1 107 107 GLY N N 107 104.052 104.052 109.982 -5.930 19079 10981 1 15 . 1 1 107 107 GLY C C 107 173.970 173.970 174.440 -0.470 19079 10982 1 15 . 1 1 107 107 GLY CA C 107 46.405 46.405 45.331 1.074 19079 10983 1 15 . 1 1 107 107 GLY H H 107 7.727 7.727 7.795 -0.068 19079 10984 1 15 . 1 1 108 108 LYS N N 108 122.212 122.212 125.687 -3.475 19079 10985 1 15 . 1 1 108 108 LYS HA H 108 4.442 4.442 4.262 0.180 19079 10986 1 15 . 1 1 108 108 LYS C C 108 175.056 175.056 175.791 -0.735 19079 10987 1 15 . 1 1 108 108 LYS CA C 108 58.497 58.497 56.687 1.810 19079 10988 1 15 . 1 1 108 108 LYS CB C 108 36.053 36.053 33.330 2.723 19079 10989 1 15 . 1 1 108 108 LYS H H 108 8.553 8.553 8.394 0.159 19079 10990 1 15 . 1 1 109 109 LEU N N 109 119.300 119.300 128.647 -9.347 19079 10991 1 15 . 1 1 109 109 LEU HA H 109 4.881 4.881 5.054 -0.173 19079 10992 1 15 . 1 1 109 109 LEU C C 109 175.017 175.017 174.687 0.330 19079 10993 1 15 . 1 1 109 109 LEU CA C 109 53.372 53.372 53.579 -0.207 19079 10994 1 15 . 1 1 109 109 LEU CB C 109 43.275 43.275 42.857 0.418 19079 10995 1 15 . 1 1 109 109 LEU H H 109 8.065 8.065 9.028 -0.963 19079 10996 1 15 . 1 1 110 110 LEU N N 110 126.757 126.757 127.880 -1.123 19079 10997 1 15 . 1 1 110 110 LEU HA H 110 5.498 5.498 4.901 0.597 19079 10998 1 15 . 1 1 110 110 LEU C C 110 176.125 176.125 176.004 0.121 19079 10999 1 15 . 1 1 110 110 LEU CA C 110 55.318 55.318 54.452 0.866 19079 11000 1 15 . 1 1 110 110 LEU CB C 110 44.799 44.799 44.078 0.721 19079 11001 1 15 . 1 1 110 110 LEU H H 110 9.450 9.450 9.142 0.308 19079 11002 1 15 . 1 1 111 111 CYS N N 111 118.897 118.897 120.993 -2.096 19079 11003 1 15 . 1 1 111 111 CYS HA H 111 5.254 5.254 4.857 0.397 19079 11004 1 15 . 1 1 111 111 CYS C C 111 177.063 177.063 175.853 1.210 19079 11005 1 15 . 1 1 111 111 CYS CA C 111 57.201 57.201 56.399 0.802 19079 11006 1 15 . 1 1 111 111 CYS CB C 111 32.532 32.532 30.870 1.662 19079 11007 1 15 . 1 1 111 111 CYS H H 111 8.575 8.575 8.719 -0.144 19079 11008 1 15 . 1 1 112 112 ARG N N 112 116.382 116.382 120.087 -3.705 19079 11009 1 15 . 1 1 112 112 ARG HA H 112 3.918 3.918 3.908 0.010 19079 11010 1 15 . 1 1 112 112 ARG C C 112 176.892 176.892 177.476 -0.584 19079 11011 1 15 . 1 1 112 112 ARG CA C 112 59.714 59.714 58.600 1.114 19079 11012 1 15 . 1 1 112 112 ARG CB C 112 29.874 29.874 29.273 0.601 19079 11013 1 15 . 1 1 112 112 ARG H H 112 8.350 8.350 8.624 -0.274 19079 11014 1 15 . 1 1 113 113 HIS N N 113 121.579 121.579 114.127 7.452 19079 11015 1 15 . 1 1 113 113 HIS HA H 113 4.480 4.480 4.712 -0.232 19079 11016 1 15 . 1 1 113 113 HIS C C 113 175.439 175.439 175.685 -0.246 19079 11017 1 15 . 1 1 113 113 HIS CA C 113 58.739 58.739 56.339 2.400 19079 11018 1 15 . 1 1 113 113 HIS CB C 113 31.050 31.050 30.847 0.203 19079 11019 1 15 . 1 1 113 113 HIS H H 113 10.445 10.445 7.173 3.272 19079 11020 1 15 . 1 1 114 114 GLY N N 114 108.273 108.273 105.553 2.720 19079 11021 1 15 . 1 1 114 114 GLY C C 114 169.307 169.307 172.890 -3.583 19079 11022 1 15 . 1 1 114 114 GLY CA C 114 45.413 45.413 44.991 0.422 19079 11023 1 15 . 1 1 114 114 GLY H H 114 7.689 7.689 7.468 0.221 19079 11024 1 15 . 1 1 115 115 VAL N N 115 120.998 120.998 122.158 -1.160 19079 11025 1 15 . 1 1 115 115 VAL HA H 115 4.476 4.476 4.089 0.387 19079 11026 1 15 . 1 1 115 115 VAL C C 115 173.881 173.881 176.482 -2.601 19079 11027 1 15 . 1 1 115 115 VAL CA C 115 62.513 62.513 63.416 -0.903 19079 11028 1 15 . 1 1 115 115 VAL CB C 115 32.113 32.113 31.824 0.289 19079 11029 1 15 . 1 1 115 115 VAL H H 115 8.455 8.455 8.430 0.025 19079 11030 1 15 . 1 1 116 116 ILE N N 116 114.566 114.566 117.827 -3.261 19079 11031 1 15 . 1 1 116 116 ILE HA H 116 4.603 4.603 4.568 0.035 19079 11032 1 15 . 1 1 116 116 ILE C C 116 175.445 175.445 174.839 0.606 19079 11033 1 15 . 1 1 116 116 ILE CA C 116 61.470 61.470 60.187 1.283 19079 11034 1 15 . 1 1 116 116 ILE CB C 116 40.782 40.782 39.025 1.757 19079 11035 1 15 . 1 1 116 116 ILE H H 116 8.460 8.460 9.001 -0.541 19079 11036 1 15 . 1 1 117 117 GLY N N 117 106.195 106.195 108.100 -1.905 19079 11037 1 15 . 1 1 117 117 GLY C C 117 171.664 171.664 171.654 0.010 19079 11038 1 15 . 1 1 117 117 GLY CA C 117 46.303 46.303 45.833 0.470 19079 11039 1 15 . 1 1 117 117 GLY H H 117 7.827 7.827 7.478 0.349 19079 11040 1 15 . 1 1 118 118 ILE N N 118 109.501 109.501 116.090 -6.589 19079 11041 1 15 . 1 1 118 118 ILE HA H 118 5.611 5.611 5.552 0.059 19079 11042 1 15 . 1 1 118 118 ILE C C 118 176.642 176.642 175.513 1.129 19079 11043 1 15 . 1 1 118 118 ILE CA C 118 58.787 58.787 57.805 0.982 19079 11044 1 15 . 1 1 118 118 ILE CB C 118 43.351 43.351 42.263 1.088 19079 11045 1 15 . 1 1 118 118 ILE H H 118 7.571 7.571 8.103 -0.532 19079 11046 1 15 . 1 1 119 119 ILE N N 119 124.258 124.258 120.968 3.290 19079 11047 1 15 . 1 1 119 119 ILE HA H 119 3.774 3.774 4.288 -0.514 19079 11048 1 15 . 1 1 119 119 ILE C C 119 177.447 177.447 176.722 0.725 19079 11049 1 15 . 1 1 119 119 ILE CA C 119 64.399 64.399 62.534 1.865 19079 11050 1 15 . 1 1 119 119 ILE CB C 119 39.393 39.393 36.820 2.573 19079 11051 1 15 . 1 1 119 119 ILE H H 119 9.465 9.465 8.337 1.128 19079 11052 1 15 . 1 1 120 120 THR N N 120 122.153 122.153 122.059 0.094 19079 11053 1 15 . 1 1 120 120 THR HA H 120 4.670 4.670 4.350 0.320 19079 11054 1 15 . 1 1 120 120 THR C C 120 171.416 171.416 173.243 -1.827 19079 11055 1 15 . 1 1 120 120 THR CA C 120 61.440 61.440 61.285 0.155 19079 11056 1 15 . 1 1 120 120 THR CB C 120 70.455 70.455 69.912 0.544 19079 11057 1 15 . 1 1 120 120 THR H H 120 9.400 9.400 8.309 1.091 19079 11058 1 15 . 1 1 121 121 ALA N N 121 124.014 124.014 121.720 2.294 19079 11059 1 15 . 1 1 121 121 ALA HA H 121 4.583 4.583 4.596 -0.013 19079 11060 1 15 . 1 1 121 121 ALA C C 121 173.695 173.695 174.639 -0.944 19079 11061 1 15 . 1 1 121 121 ALA CA C 121 51.833 51.833 51.267 0.566 19079 11062 1 15 . 1 1 121 121 ALA CB C 121 22.523 22.523 21.485 1.038 19079 11063 1 15 . 1 1 121 121 ALA H H 121 7.885 7.885 7.078 0.807 19079 11064 1 15 . 1 1 122 122 GLY N N 122 103.252 103.252 107.820 -4.568 19079 11065 1 15 . 1 1 122 122 GLY C C 122 172.124 172.124 173.382 -1.258 19079 11066 1 15 . 1 1 122 122 GLY CA C 122 45.917 45.917 44.703 1.214 19079 11067 1 15 . 1 1 122 122 GLY H H 122 7.828 7.828 7.912 -0.084 19079 11068 1 15 . 1 1 123 123 GLY N N 123 107.688 107.688 108.394 -0.706 19079 11069 1 15 . 1 1 123 123 GLY C C 123 174.470 174.470 172.749 1.721 19079 11070 1 15 . 1 1 123 123 GLY CA C 123 45.051 45.051 43.936 1.115 19079 11071 1 15 . 1 1 123 123 GLY H H 123 8.285 8.285 7.415 0.870 19079 11072 1 15 . 1 1 124 124 ASP N N 124 120.288 120.288 121.977 -1.689 19079 11073 1 15 . 1 1 124 124 ASP HA H 124 4.621 4.621 4.439 0.182 19079 11074 1 15 . 1 1 124 124 ASP C C 124 176.061 176.061 177.648 -1.587 19079 11075 1 15 . 1 1 124 124 ASP CA C 124 55.465 55.465 55.573 -0.108 19079 11076 1 15 . 1 1 124 124 ASP CB C 124 40.111 40.111 39.819 0.292 19079 11077 1 15 . 1 1 124 124 ASP H H 124 9.054 9.054 8.516 0.538 19079 11078 1 15 . 1 1 125 125 GLY N N 125 105.482 105.482 113.531 -8.049 19079 11079 1 15 . 1 1 125 125 GLY C C 125 174.566 174.566 173.302 1.264 19079 11080 1 15 . 1 1 125 125 GLY CA C 125 45.493 45.493 45.792 -0.299 19079 11081 1 15 . 1 1 125 125 GLY H H 125 8.567 8.567 8.938 -0.371 19079 11082 1 15 . 1 1 126 126 HIS N N 126 117.677 117.677 118.291 -0.614 19079 11083 1 15 . 1 1 126 126 HIS HA H 126 5.449 5.449 5.452 -0.003 19079 11084 1 15 . 1 1 126 126 HIS C C 126 172.058 172.058 172.747 -0.689 19079 11085 1 15 . 1 1 126 126 HIS CA C 126 54.653 54.653 53.965 0.688 19079 11086 1 15 . 1 1 126 126 HIS CB C 126 31.709 31.709 33.245 -1.536 19079 11087 1 15 . 1 1 126 126 HIS H H 126 7.852 7.852 7.326 0.526 19079 11088 1 15 . 1 1 127 127 VAL N N 127 121.145 121.145 123.791 -2.646 19079 11089 1 15 . 1 1 127 127 VAL HA H 127 4.230 4.230 4.105 0.125 19079 11090 1 15 . 1 1 127 127 VAL C C 127 170.317 170.317 172.514 -2.197 19079 11091 1 15 . 1 1 127 127 VAL CA C 127 60.125 60.125 60.385 -0.259 19079 11092 1 15 . 1 1 127 127 VAL CB C 127 34.681 34.681 34.154 0.527 19079 11093 1 15 . 1 1 127 127 VAL H H 127 8.857 8.857 8.897 -0.040 19079 11094 1 15 . 1 1 128 128 ALA N N 128 127.867 127.867 130.090 -2.223 19079 11095 1 15 . 1 1 128 128 ALA HA H 128 5.222 5.222 4.824 0.398 19079 11096 1 15 . 1 1 128 128 ALA C C 128 175.506 175.506 175.535 -0.029 19079 11097 1 15 . 1 1 128 128 ALA CA C 128 49.199 49.199 49.647 -0.448 19079 11098 1 15 . 1 1 128 128 ALA CB C 128 21.731 21.731 21.644 0.087 19079 11099 1 15 . 1 1 128 128 ALA H H 128 8.400 8.400 8.390 0.010 19079 11100 1 15 . 1 1 129 129 PHE N N 129 121.202 121.202 115.603 5.599 19079 11101 1 15 . 1 1 129 129 PHE HA H 129 5.301 5.301 5.302 -0.001 19079 11102 1 15 . 1 1 129 129 PHE C C 129 176.082 176.082 175.186 0.896 19079 11103 1 15 . 1 1 129 129 PHE CA C 129 54.759 54.759 56.462 -1.703 19079 11104 1 15 . 1 1 129 129 PHE CB C 129 41.372 41.372 43.712 -2.340 19079 11105 1 15 . 1 1 129 129 PHE H H 129 9.689 9.689 8.279 1.410 19079 11106 1 15 . 1 1 130 130 THR N N 130 121.809 121.809 117.834 3.975 19079 11107 1 15 . 1 1 130 130 THR HA H 130 4.573 4.573 4.653 -0.080 19079 11108 1 15 . 1 1 130 130 THR C C 130 173.050 173.050 173.414 -0.364 19079 11109 1 15 . 1 1 130 130 THR CA C 130 63.487 63.487 61.033 2.454 19079 11110 1 15 . 1 1 130 130 THR CB C 130 70.852 70.852 69.936 0.916 19079 11111 1 15 . 1 1 130 130 THR H H 130 8.848 8.848 9.092 -0.244 19079 11112 1 15 . 1 1 131 131 ASP N N 131 128.382 128.382 129.737 -1.355 19079 11113 1 15 . 1 1 131 131 ASP HA H 131 4.915 4.915 4.762 0.153 19079 11114 1 15 . 1 1 131 131 ASP C C 131 175.616 175.616 176.725 -1.109 19079 11115 1 15 . 1 1 131 131 ASP CA C 131 52.924 52.924 55.300 -2.376 19079 11116 1 15 . 1 1 131 131 ASP CB C 131 41.513 41.513 41.171 0.342 19079 11117 1 15 . 1 1 131 131 ASP H H 131 8.722 8.722 8.348 0.374 19079 11118 1 15 . 1 1 132 132 LEU N N 132 123.250 123.250 127.207 -3.957 19079 11119 1 15 . 1 1 132 132 LEU HA H 132 4.325 4.325 4.373 -0.048 19079 11120 1 15 . 1 1 132 132 LEU C C 132 179.704 179.704 177.721 1.983 19079 11121 1 15 . 1 1 132 132 LEU CA C 132 55.286 55.286 54.587 0.699 19079 11122 1 15 . 1 1 132 132 LEU CB C 132 42.640 42.640 42.166 0.474 19079 11123 1 15 . 1 1 132 132 LEU H H 132 8.788 8.788 8.233 0.555 19079 11124 1 15 . 1 1 133 133 ARG N N 133 119.561 119.561 119.112 0.449 19079 11125 1 15 . 1 1 133 133 ARG HA H 133 3.977 3.977 4.126 -0.149 19079 11126 1 15 . 1 1 133 133 ARG C C 133 177.476 177.476 175.512 1.964 19079 11127 1 15 . 1 1 133 133 ARG CA C 133 61.799 61.799 59.702 2.097 19079 11128 1 15 . 1 1 133 133 ARG CB C 133 27.601 27.601 28.526 -0.925 19079 11129 1 15 . 1 1 133 133 ARG H H 133 8.961 8.961 7.646 1.315 19079 11130 1 15 . 1 1 134 134 PRO HA H 134 4.284 4.284 4.421 -0.137 19079 11131 1 15 . 1 1 134 134 PRO C C 134 175.695 175.695 175.798 -0.103 19079 11132 1 15 . 1 1 134 134 PRO CA C 134 64.508 64.508 63.387 1.121 19079 11133 1 15 . 1 1 134 134 PRO CB C 134 31.008 31.008 29.907 1.101 19079 11134 1 15 . 1 1 135 135 TYR N N 135 114.745 114.745 120.054 -5.309 19079 11135 1 15 . 1 1 135 135 TYR HA H 135 4.420 4.420 4.504 -0.084 19079 11136 1 15 . 1 1 135 135 TYR C C 135 175.146 175.146 173.401 1.745 19079 11137 1 15 . 1 1 135 135 TYR CA C 135 57.322 57.322 58.493 -1.171 19079 11138 1 15 . 1 1 135 135 TYR CB C 135 39.549 39.549 39.194 0.355 19079 11139 1 15 . 1 1 135 135 TYR H H 135 7.419 7.419 8.711 -1.292 19079 11140 1 15 . 1 1 136 136 ASN N N 136 119.088 119.088 115.752 3.336 19079 11141 1 15 . 1 1 136 136 ASN HA H 136 4.622 4.622 4.843 -0.221 19079 11142 1 15 . 1 1 136 136 ASN C C 136 175.650 175.650 174.154 1.496 19079 11143 1 15 . 1 1 136 136 ASN CA C 136 53.601 53.601 52.280 1.321 19079 11144 1 15 . 1 1 136 136 ASN CB C 136 38.741 38.741 40.521 -1.780 19079 11145 1 15 . 1 1 136 136 ASN H H 136 7.245 7.245 7.566 -0.321 19079 11146 1 15 . 1 1 137 137 ILE N N 137 126.031 126.031 121.109 4.922 19079 11147 1 15 . 1 1 137 137 ILE HA H 137 4.135 4.135 4.333 -0.198 19079 11148 1 15 . 1 1 137 137 ILE C C 137 175.636 175.636 175.997 -0.361 19079 11149 1 15 . 1 1 137 137 ILE CA C 137 61.215 61.215 60.160 1.055 19079 11150 1 15 . 1 1 137 137 ILE CB C 137 38.380 38.380 36.576 1.804 19079 11151 1 15 . 1 1 137 137 ILE H H 137 7.849 7.849 8.527 -0.678 19079 11152 1 15 . 1 1 138 138 LYS N N 138 125.271 125.271 124.930 0.341 19079 11153 1 15 . 1 1 138 138 LYS HA H 138 4.368 4.368 4.226 0.142 19079 11154 1 15 . 1 1 138 138 LYS C C 138 176.110 176.110 176.412 -0.302 19079 11155 1 15 . 1 1 138 138 LYS CA C 138 55.906 55.906 58.480 -2.575 19079 11156 1 15 . 1 1 138 138 LYS CB C 138 33.564 33.564 32.579 0.985 19079 11157 1 15 . 1 1 138 138 LYS H H 138 8.171 8.171 8.415 -0.244 19079 11158 1 15 . 1 1 139 139 ALA N N 139 124.226 124.226 119.042 5.184 19079 11159 1 15 . 1 1 139 139 ALA HA H 139 4.384 4.384 4.305 0.079 19079 11160 1 15 . 1 1 139 139 ALA C C 139 177.788 177.788 176.238 1.550 19079 11161 1 15 . 1 1 139 139 ALA CA C 139 52.522 52.522 52.544 -0.022 19079 11162 1 15 . 1 1 139 139 ALA CB C 139 19.531 19.531 18.875 0.656 19079 11163 1 15 . 1 1 139 139 ALA H H 139 8.207 8.207 7.726 0.481 19079 11164 1 15 . 1 1 140 140 THR N N 140 112.869 112.869 110.442 2.427 19079 11165 1 15 . 1 1 140 140 THR HA H 140 4.390 4.390 4.590 -0.200 19079 11166 1 15 . 1 1 140 140 THR C C 140 174.522 174.522 174.593 -0.071 19079 11167 1 15 . 1 1 140 140 THR CA C 140 61.685 61.685 62.907 -1.222 19079 11168 1 15 . 1 1 140 140 THR CB C 140 69.961 69.961 70.001 -0.040 19079 11169 1 15 . 1 1 140 140 THR H H 140 8.094 8.094 8.364 -0.270 19079 11170 1 15 . 1 1 141 141 SER N N 141 118.138 118.138 115.051 3.087 19079 11171 1 15 . 1 1 141 141 SER HA H 141 4.500 4.500 4.741 -0.241 19079 11172 1 15 . 1 1 141 141 SER C C 141 173.503 173.503 172.720 0.783 19079 11173 1 15 . 1 1 141 141 SER CA C 141 58.315 58.315 57.586 0.729 19079 11174 1 15 . 1 1 141 141 SER CB C 141 64.039 64.039 64.888 -0.849 19079 11175 1 15 . 1 1 141 141 SER H H 141 8.209 8.209 8.203 0.006 19079 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 123 3.964 0.626 3.931 19079 2 1 1 "Average Difference" HA 149 0.407 -0.063 0.404 19079 3 1 1 "Average Difference" C 113 1.321 0.278 1.298 19079 4 1 1 "Average Difference" CA 137 1.306 -0.053 1.310 19079 5 1 1 "Average Difference" CB 124 1.706 -0.437 1.655 19079 6 1 1 "Average Difference" HN 125 0.697 -0.117 0.690 19079 7 1 2 "Average Difference" N 123 4.255 0.222 4.266 19079 8 1 2 "Average Difference" HA 149 0.398 -0.044 0.397 19079 9 1 2 "Average Difference" C 113 1.340 0.279 1.317 19079 10 1 2 "Average Difference" CA 137 1.400 -0.036 1.405 19079 11 1 2 "Average Difference" CB 124 1.722 -0.392 1.684 19079 12 1 2 "Average Difference" HN 125 0.692 -0.158 0.676 19079 13 1 3 "Average Difference" N 123 3.971 0.428 3.965 19079 14 1 3 "Average Difference" HA 149 0.394 -0.056 0.391 19079 15 1 3 "Average Difference" C 113 1.361 0.206 1.351 19079 16 1 3 "Average Difference" CA 137 1.377 -0.057 1.381 19079 17 1 3 "Average Difference" CB 124 1.617 -0.330 1.589 19079 18 1 3 "Average Difference" HN 125 0.664 -0.118 0.656 19079 19 1 4 "Average Difference" N 123 4.398 0.433 4.394 19079 20 1 4 "Average Difference" HA 149 0.406 -0.062 0.403 19079 21 1 4 "Average Difference" C 113 1.395 0.240 1.380 19079 22 1 4 "Average Difference" CA 137 1.314 -0.090 1.316 19079 23 1 4 "Average Difference" CB 124 1.689 -0.395 1.649 19079 24 1 4 "Average Difference" HN 125 0.707 -0.140 0.696 19079 25 1 5 "Average Difference" N 123 4.069 0.621 4.038 19079 26 1 5 "Average Difference" HA 149 0.396 -0.066 0.392 19079 27 1 5 "Average Difference" C 113 1.357 0.207 1.347 19079 28 1 5 "Average Difference" CA 137 1.387 -0.085 1.389 19079 29 1 5 "Average Difference" CB 124 1.739 -0.376 1.704 19079 30 1 5 "Average Difference" HN 125 0.677 -0.141 0.665 19079 31 1 6 "Average Difference" N 123 4.142 0.408 4.139 19079 32 1 6 "Average Difference" HA 149 0.410 -0.073 0.404 19079 33 1 6 "Average Difference" C 113 1.423 0.219 1.412 19079 34 1 6 "Average Difference" CA 137 1.410 -0.069 1.413 19079 35 1 6 "Average Difference" CB 124 1.814 -0.411 1.774 19079 36 1 6 "Average Difference" HN 125 0.685 -0.130 0.675 19079 37 1 7 "Average Difference" N 123 4.165 0.453 4.157 19079 38 1 7 "Average Difference" HA 149 0.392 -0.077 0.386 19079 39 1 7 "Average Difference" C 113 1.324 0.185 1.317 19079 40 1 7 "Average Difference" CA 137 1.464 -0.062 1.468 19079 41 1 7 "Average Difference" CB 124 1.690 -0.431 1.641 19079 42 1 7 "Average Difference" HN 125 0.677 -0.148 0.663 19079 43 1 8 "Average Difference" N 123 4.276 0.428 4.272 19079 44 1 8 "Average Difference" HA 149 0.400 -0.065 0.396 19079 45 1 8 "Average Difference" C 113 1.350 0.307 1.320 19079 46 1 8 "Average Difference" CA 137 1.437 -0.009 1.442 19079 47 1 8 "Average Difference" CB 124 1.749 -0.519 1.678 19079 48 1 8 "Average Difference" HN 125 0.678 -0.159 0.662 19079 49 1 9 "Average Difference" N 123 4.143 0.400 4.140 19079 50 1 9 "Average Difference" HA 149 0.441 -0.089 0.433 19079 51 1 9 "Average Difference" C 113 1.356 0.287 1.331 19079 52 1 9 "Average Difference" CA 137 1.472 0.007 1.478 19079 53 1 9 "Average Difference" CB 124 1.662 -0.430 1.612 19079 54 1 9 "Average Difference" HN 125 0.681 -0.125 0.672 19079 55 1 10 "Average Difference" N 123 4.432 0.322 4.438 19079 56 1 10 "Average Difference" HA 149 0.405 -0.071 0.400 19079 57 1 10 "Average Difference" C 113 1.367 0.218 1.355 19079 58 1 10 "Average Difference" CA 137 1.363 -0.093 1.365 19079 59 1 10 "Average Difference" CB 124 1.660 -0.438 1.608 19079 60 1 10 "Average Difference" HN 125 0.670 -0.133 0.659 19079 61 1 11 "Average Difference" N 123 3.988 0.377 3.986 19079 62 1 11 "Average Difference" HA 149 0.388 -0.085 0.379 19079 63 1 11 "Average Difference" C 113 1.359 0.256 1.340 19079 64 1 11 "Average Difference" CA 137 1.339 -0.019 1.344 19079 65 1 11 "Average Difference" CB 124 1.815 -0.421 1.772 19079 66 1 11 "Average Difference" HN 125 0.662 -0.128 0.652 19079 67 1 12 "Average Difference" N 123 4.163 0.244 4.173 19079 68 1 12 "Average Difference" HA 149 0.403 -0.041 0.403 19079 69 1 12 "Average Difference" C 113 1.381 0.201 1.373 19079 70 1 12 "Average Difference" CA 137 1.415 -0.053 1.419 19079 71 1 12 "Average Difference" CB 124 1.701 -0.377 1.666 19079 72 1 12 "Average Difference" HN 125 0.662 -0.133 0.651 19079 73 1 13 "Average Difference" N 123 4.088 0.313 4.093 19079 74 1 13 "Average Difference" HA 149 0.399 -0.071 0.394 19079 75 1 13 "Average Difference" C 113 1.377 0.255 1.359 19079 76 1 13 "Average Difference" CA 137 1.389 0.016 1.394 19079 77 1 13 "Average Difference" CB 124 1.844 -0.396 1.808 19079 78 1 13 "Average Difference" HN 125 0.679 -0.166 0.661 19079 79 1 14 "Average Difference" N 123 4.195 0.465 4.186 19079 80 1 14 "Average Difference" HA 149 0.408 -0.038 0.407 19079 81 1 14 "Average Difference" C 113 1.368 0.183 1.362 19079 82 1 14 "Average Difference" CA 137 1.383 -0.084 1.385 19079 83 1 14 "Average Difference" CB 124 1.686 -0.364 1.653 19079 84 1 14 "Average Difference" HN 125 0.683 -0.116 0.676 19079 85 1 15 "Average Difference" N 123 4.273 0.284 4.281 19079 86 1 15 "Average Difference" HA 149 0.395 -0.063 0.391 19079 87 1 15 "Average Difference" C 113 1.341 0.171 1.336 19079 88 1 15 "Average Difference" CA 137 1.397 -0.111 1.397 19079 89 1 15 "Average Difference" CB 124 1.668 -0.322 1.643 19079 90 1 15 "Average Difference" HN 125 0.692 -0.146 0.680 19079 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 19079 _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 PRO HA H 2 4.360 4.360 4.615 -0.255 19079 2 1 . 1 1 2 2 PRO C C 2 178.185 178.185 176.252 1.933 19079 3 1 . 1 1 2 2 PRO CA C 2 65.722 65.722 62.974 2.748 19079 4 1 . 1 1 2 2 PRO CB C 2 33.078 33.078 32.511 0.567 19079 5 1 . 1 1 3 3 SER N N 3 112.403 112.403 115.776 -3.373 19079 6 1 . 1 1 3 3 SER HA H 3 3.136 3.136 4.440 -1.304 19079 7 1 . 1 1 3 3 SER C C 3 172.101 172.101 173.147 -1.046 19079 8 1 . 1 1 3 3 SER CA C 3 57.421 57.421 58.187 -0.766 19079 9 1 . 1 1 3 3 SER CB C 3 62.812 62.812 64.104 -1.292 19079 10 1 . 1 1 3 3 SER H H 3 8.494 8.494 8.143 0.351 19079 11 1 . 1 1 4 4 ASP N N 4 119.024 119.024 123.587 -4.563 19079 12 1 . 1 1 4 4 ASP HA H 4 4.438 4.438 4.725 -0.287 19079 13 1 . 1 1 4 4 ASP C C 4 177.371 177.371 175.054 2.317 19079 14 1 . 1 1 4 4 ASP CA C 4 54.800 54.800 53.853 0.947 19079 15 1 . 1 1 4 4 ASP CB C 4 41.495 41.495 41.763 -0.268 19079 16 1 . 1 1 4 4 ASP H H 4 6.841 6.841 8.277 -1.437 19079 17 1 . 1 1 5 5 LEU N N 5 129.426 129.426 121.161 8.265 19079 18 1 . 1 1 5 5 LEU HA H 5 4.526 4.526 4.337 0.189 19079 19 1 . 1 1 5 5 LEU C C 5 176.246 176.246 175.896 0.350 19079 20 1 . 1 1 5 5 LEU CA C 5 54.010 54.010 55.020 -1.010 19079 21 1 . 1 1 5 5 LEU CB C 5 40.690 40.690 42.337 -1.647 19079 22 1 . 1 1 5 5 LEU H H 5 8.781 8.781 8.004 0.777 19079 23 1 . 1 1 6 6 PHE HA H 6 4.842 4.842 4.522 0.320 19079 24 1 . 1 1 6 6 PHE C C 6 174.584 174.584 174.741 -0.157 19079 25 1 . 1 1 6 6 PHE CA C 6 56.782 56.782 57.685 -0.903 19079 26 1 . 1 1 6 6 PHE CB C 6 39.576 39.576 39.340 0.236 19079 27 1 . 1 1 7 7 VAL N N 7 118.923 118.923 120.189 -1.266 19079 28 1 . 1 1 7 7 VAL HA H 7 4.528 4.528 4.231 0.297 19079 29 1 . 1 1 7 7 VAL C C 7 173.989 173.989 174.121 -0.132 19079 30 1 . 1 1 7 7 VAL CA C 7 61.571 61.571 61.086 0.485 19079 31 1 . 1 1 7 7 VAL CB C 7 34.826 34.826 34.511 0.315 19079 32 1 . 1 1 7 7 VAL H H 7 8.586 8.586 8.386 0.200 19079 33 1 . 1 1 8 8 HIS N N 8 132.990 132.990 123.808 9.182 19079 34 1 . 1 1 8 8 HIS HA H 8 5.997 5.997 5.294 0.703 19079 35 1 . 1 1 8 8 HIS C C 8 174.184 174.184 174.822 -0.638 19079 36 1 . 1 1 8 8 HIS CA C 8 53.113 53.113 53.868 -0.755 19079 37 1 . 1 1 8 8 HIS CB C 8 33.889 33.889 31.333 2.556 19079 38 1 . 1 1 8 8 HIS H H 8 10.809 10.809 8.383 2.426 19079 39 1 . 1 1 9 9 THR N N 9 118.112 118.112 116.520 1.592 19079 40 1 . 1 1 9 9 THR HA H 9 5.343 5.343 4.785 0.558 19079 41 1 . 1 1 9 9 THR C C 9 175.788 175.788 175.171 0.617 19079 42 1 . 1 1 9 9 THR CA C 9 59.768 59.768 61.008 -1.240 19079 43 1 . 1 1 9 9 THR CB C 9 70.673 70.673 70.065 0.608 19079 44 1 . 1 1 9 9 THR H H 9 9.512 9.512 8.707 0.805 19079 45 1 . 1 1 10 10 GLU N N 10 117.927 117.927 125.289 -7.362 19079 46 1 . 1 1 10 10 GLU HA H 10 4.096 4.096 3.843 0.253 19079 47 1 . 1 1 10 10 GLU C C 10 176.321 176.321 176.471 -0.150 19079 48 1 . 1 1 10 10 GLU CA C 10 59.900 59.900 59.399 0.501 19079 49 1 . 1 1 10 10 GLU CB C 10 29.983 29.983 28.047 1.936 19079 50 1 . 1 1 10 10 GLU H H 10 8.812 8.812 9.094 -0.282 19079 51 1 . 1 1 11 11 GLN N N 11 110.877 110.877 119.792 -8.915 19079 52 1 . 1 1 11 11 GLN HA H 11 4.621 4.621 4.696 -0.075 19079 53 1 . 1 1 11 11 GLN C C 11 175.391 175.391 173.856 1.535 19079 54 1 . 1 1 11 11 GLN CA C 11 56.071 56.071 55.323 0.748 19079 55 1 . 1 1 11 11 GLN CB C 11 31.963 31.963 30.941 1.022 19079 56 1 . 1 1 11 11 GLN H H 11 7.797 7.797 8.273 -0.476 19079 57 1 . 1 1 12 12 ALA N N 12 122.143 122.143 122.727 -0.584 19079 58 1 . 1 1 12 12 ALA HA H 12 5.049 5.049 5.281 -0.232 19079 59 1 . 1 1 12 12 ALA C C 12 174.293 174.293 175.556 -1.263 19079 60 1 . 1 1 12 12 ALA CA C 12 51.943 51.943 50.257 1.686 19079 61 1 . 1 1 12 12 ALA CB C 12 23.177 23.177 21.567 1.610 19079 62 1 . 1 1 12 12 ALA H H 12 7.814 7.814 8.141 -0.327 19079 63 1 . 1 1 13 13 ILE N N 13 119.589 119.589 125.961 -6.372 19079 64 1 . 1 1 13 13 ILE HA H 13 5.399 5.399 4.753 0.646 19079 65 1 . 1 1 13 13 ILE C C 13 174.295 174.295 175.060 -0.765 19079 66 1 . 1 1 13 13 ILE CA C 13 60.102 60.102 59.891 0.211 19079 67 1 . 1 1 13 13 ILE CB C 13 41.080 41.080 38.510 2.570 19079 68 1 . 1 1 13 13 ILE H H 13 9.206 9.206 8.392 0.814 19079 69 1 . 1 1 14 14 TYR N N 14 127.337 127.337 129.453 -2.116 19079 70 1 . 1 1 14 14 TYR HA H 14 4.853 4.853 5.077 -0.224 19079 71 1 . 1 1 14 14 TYR C C 14 172.793 172.793 175.256 -2.463 19079 72 1 . 1 1 14 14 TYR CA C 14 56.784 56.784 57.263 -0.479 19079 73 1 . 1 1 14 14 TYR CB C 14 39.797 39.797 39.211 0.587 19079 74 1 . 1 1 14 14 TYR H H 14 9.794 9.794 8.980 0.814 19079 75 1 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.543 -0.171 19079 76 1 . 1 1 15 15 LYS CA C 15 55.924 55.924 54.671 1.253 19079 77 1 . 1 1 15 15 LYS CB C 15 33.563 33.563 36.489 -2.926 19079 78 1 . 1 1 15 15 LYS H H 15 7.550 7.550 8.202 -0.652 19079 79 1 . 1 1 16 16 ASN N N 16 107.943 107.943 119.408 -11.465 19079 80 1 . 1 1 16 16 ASN HA H 16 5.098 5.098 4.715 0.383 19079 81 1 . 1 1 16 16 ASN C C 16 176.475 176.475 176.649 -0.174 19079 82 1 . 1 1 16 16 ASN CA C 16 54.072 54.072 53.901 0.170 19079 83 1 . 1 1 16 16 ASN CB C 16 38.619 38.619 38.510 0.109 19079 84 1 . 1 1 16 16 ASN H H 16 8.156 8.156 8.731 -0.575 19079 85 1 . 1 1 17 17 ALA N N 17 127.319 127.319 128.623 -1.304 19079 86 1 . 1 1 17 17 ALA HA H 17 3.608 3.608 4.244 -0.635 19079 87 1 . 1 1 17 17 ALA C C 17 180.081 180.081 178.533 1.548 19079 88 1 . 1 1 17 17 ALA CA C 17 54.282 54.282 54.660 -0.378 19079 89 1 . 1 1 17 17 ALA CB C 17 17.646 17.646 19.018 -1.372 19079 90 1 . 1 1 17 17 ALA H H 17 7.573 7.573 8.471 -0.898 19079 91 1 . 1 1 18 18 HIS N N 18 108.625 108.625 115.073 -6.448 19079 92 1 . 1 1 18 18 HIS HA H 18 4.504 4.504 4.402 0.102 19079 93 1 . 1 1 18 18 HIS C C 18 174.182 174.182 176.023 -1.841 19079 94 1 . 1 1 18 18 HIS CA C 18 57.782 57.782 57.879 -0.097 19079 95 1 . 1 1 18 18 HIS CB C 18 26.798 26.798 29.622 -2.824 19079 96 1 . 1 1 18 18 HIS H H 18 8.118 8.118 8.067 0.051 19079 97 1 . 1 1 19 19 LEU N N 19 117.682 117.682 118.966 -1.284 19079 98 1 . 1 1 19 19 LEU HA H 19 4.444 4.444 4.474 -0.030 19079 99 1 . 1 1 19 19 LEU C C 19 175.795 175.795 176.784 -0.989 19079 100 1 . 1 1 19 19 LEU CA C 19 53.309 53.309 55.117 -1.808 19079 101 1 . 1 1 19 19 LEU CB C 19 42.366 42.366 43.041 -0.674 19079 102 1 . 1 1 19 19 LEU H H 19 6.677 6.677 7.539 -0.862 19079 103 1 . 1 1 20 20 THR N N 20 116.187 116.187 109.188 6.999 19079 104 1 . 1 1 20 20 THR HA H 20 4.700 4.700 4.401 0.299 19079 105 1 . 1 1 20 20 THR C C 20 171.105 171.105 174.869 -3.764 19079 106 1 . 1 1 20 20 THR CA C 20 58.570 58.570 61.848 -3.278 19079 107 1 . 1 1 20 20 THR CB C 20 69.724 69.724 70.101 -0.377 19079 108 1 . 1 1 20 20 THR H H 20 7.399 7.399 7.398 0.001 19079 109 1 . 1 1 21 21 THR N N 21 114.194 114.194 119.378 -5.184 19079 110 1 . 1 1 21 21 THR HA H 21 5.124 5.124 4.071 1.053 19079 111 1 . 1 1 21 21 THR CA C 21 58.991 58.991 62.526 -3.535 19079 112 1 . 1 1 21 21 THR CB C 21 71.564 71.564 68.538 3.026 19079 113 1 . 1 1 21 21 THR H H 21 8.410 8.410 7.873 0.537 19079 114 1 . 1 1 22 22 PRO HA H 22 4.432 4.432 4.485 -0.053 19079 115 1 . 1 1 22 22 PRO C C 22 175.895 175.895 176.635 -0.740 19079 116 1 . 1 1 22 22 PRO CA C 22 63.390 63.390 62.815 0.575 19079 117 1 . 1 1 22 22 PRO CB C 22 32.203 32.203 32.029 0.174 19079 118 1 . 1 1 23 23 ASN N N 23 119.233 119.233 118.155 1.078 19079 119 1 . 1 1 23 23 ASN HA H 23 5.032 5.032 4.541 0.491 19079 120 1 . 1 1 23 23 ASN C C 23 175.963 175.963 175.347 0.616 19079 121 1 . 1 1 23 23 ASN CA C 23 52.452 52.452 54.285 -1.833 19079 122 1 . 1 1 23 23 ASN CB C 23 41.420 41.420 39.025 2.395 19079 123 1 . 1 1 23 23 ASN H H 23 9.227 9.227 8.390 0.837 19079 124 1 . 1 1 24 24 ASP N N 24 119.074 119.074 117.921 1.153 19079 125 1 . 1 1 24 24 ASP HA H 24 4.417 4.417 4.643 -0.226 19079 126 1 . 1 1 24 24 ASP C C 24 176.983 176.983 175.702 1.281 19079 127 1 . 1 1 24 24 ASP CA C 24 56.942 56.942 54.661 2.281 19079 128 1 . 1 1 24 24 ASP CB C 24 40.266 40.266 40.423 -0.157 19079 129 1 . 1 1 24 24 ASP H H 24 8.649 8.649 8.473 0.176 19079 130 1 . 1 1 25 25 GLN N N 25 116.580 116.580 117.788 -1.208 19079 131 1 . 1 1 25 25 GLN HA H 25 4.425 4.425 4.450 -0.025 19079 132 1 . 1 1 25 25 GLN C C 25 177.373 177.373 175.939 1.434 19079 133 1 . 1 1 25 25 GLN CA C 25 55.419 55.419 55.831 -0.412 19079 134 1 . 1 1 25 25 GLN CB C 25 28.933 28.933 29.460 -0.527 19079 135 1 . 1 1 25 25 GLN H H 25 9.028 9.028 8.272 0.756 19079 136 1 . 1 1 26 26 THR N N 26 122.196 122.196 111.567 10.629 19079 137 1 . 1 1 26 26 THR HA H 26 4.779 4.779 4.333 0.446 19079 138 1 . 1 1 26 26 THR C C 26 174.583 174.583 174.446 0.137 19079 139 1 . 1 1 26 26 THR CA C 26 65.218 65.218 62.490 2.728 19079 140 1 . 1 1 26 26 THR CB C 26 68.963 68.963 69.638 -0.675 19079 141 1 . 1 1 26 26 THR H H 26 7.692 7.692 7.567 0.125 19079 142 1 . 1 1 27 27 ILE N N 27 129.367 129.367 120.621 8.746 19079 143 1 . 1 1 27 27 ILE HA H 27 4.112 4.112 4.184 -0.072 19079 144 1 . 1 1 27 27 ILE C C 27 175.734 175.734 175.441 0.293 19079 145 1 . 1 1 27 27 ILE CA C 27 62.558 62.558 62.519 0.039 19079 146 1 . 1 1 27 27 ILE CB C 27 40.357 40.357 39.509 0.848 19079 147 1 . 1 1 27 27 ILE H H 27 9.785 9.785 8.320 1.465 19079 148 1 . 1 1 28 28 LEU N N 28 120.773 120.773 120.805 -0.032 19079 149 1 . 1 1 28 28 LEU HA H 28 4.506 4.506 4.702 -0.196 19079 150 1 . 1 1 28 28 LEU C C 28 173.083 173.083 174.515 -1.432 19079 151 1 . 1 1 28 28 LEU CA C 28 55.337 55.337 54.456 0.881 19079 152 1 . 1 1 28 28 LEU CB C 28 45.942 45.942 44.943 0.999 19079 153 1 . 1 1 28 28 LEU H H 28 7.814 7.814 7.554 0.260 19079 154 1 . 1 1 29 29 LEU N N 29 128.285 128.285 122.566 5.719 19079 155 1 . 1 1 29 29 LEU HA H 29 4.798 4.798 5.086 -0.288 19079 156 1 . 1 1 29 29 LEU C C 29 174.589 174.589 175.533 -0.944 19079 157 1 . 1 1 29 29 LEU CA C 29 54.133 54.133 54.017 0.116 19079 158 1 . 1 1 29 29 LEU CB C 29 43.909 43.909 45.374 -1.465 19079 159 1 . 1 1 29 29 LEU H H 29 8.653 8.653 8.174 0.479 19079 160 1 . 1 1 30 30 ALA N N 30 132.532 132.532 125.504 7.028 19079 161 1 . 1 1 30 30 ALA HA H 30 4.995 4.995 4.846 0.149 19079 162 1 . 1 1 30 30 ALA C C 30 177.994 177.994 177.358 0.636 19079 163 1 . 1 1 30 30 ALA CA C 30 49.621 49.621 50.725 -1.104 19079 164 1 . 1 1 30 30 ALA CB C 30 18.022 18.022 19.815 -1.793 19079 165 1 . 1 1 30 30 ALA H H 30 9.179 9.179 8.700 0.479 19079 166 1 . 1 1 31 31 LEU N N 31 126.651 126.651 123.812 2.839 19079 167 1 . 1 1 31 31 LEU HA H 31 4.619 4.619 4.112 0.507 19079 168 1 . 1 1 31 31 LEU CA C 31 59.032 59.032 57.303 1.729 19079 169 1 . 1 1 31 31 LEU CB C 31 41.356 41.356 41.060 0.296 19079 170 1 . 1 1 31 31 LEU H H 31 8.828 8.828 8.876 -0.048 19079 171 1 . 1 1 32 32 THR HA H 32 4.283 4.283 3.975 0.308 19079 172 1 . 1 1 32 32 THR C C 32 173.341 173.341 175.017 -1.676 19079 173 1 . 1 1 32 32 THR CA C 32 63.443 63.443 64.731 -1.288 19079 174 1 . 1 1 32 32 THR CB C 32 68.639 68.639 68.663 -0.024 19079 175 1 . 1 1 32 32 THR H H 32 8.105 8.105 8.083 0.022 19079 176 1 . 1 1 33 33 ALA N N 33 122.960 122.960 120.427 2.533 19079 177 1 . 1 1 33 33 ALA HA H 33 5.301 5.301 4.552 0.749 19079 178 1 . 1 1 33 33 ALA C C 33 175.467 175.467 175.983 -0.516 19079 179 1 . 1 1 33 33 ALA CA C 33 50.782 50.782 50.904 -0.122 19079 180 1 . 1 1 33 33 ALA CB C 33 20.256 20.256 20.340 -0.084 19079 181 1 . 1 1 33 33 ALA H H 33 7.328 7.328 7.730 -0.402 19079 182 1 . 1 1 34 34 ASP N N 34 115.713 115.713 117.011 -1.298 19079 183 1 . 1 1 34 34 ASP HA H 34 4.194 4.194 4.342 -0.148 19079 184 1 . 1 1 34 34 ASP C C 34 175.750 175.750 174.715 1.035 19079 185 1 . 1 1 34 34 ASP CA C 34 55.269 55.269 55.478 -0.209 19079 186 1 . 1 1 34 34 ASP CB C 34 40.525 40.525 39.634 0.892 19079 187 1 . 1 1 34 34 ASP H H 34 7.927 7.927 7.884 0.043 19079 188 1 . 1 1 35 35 LEU N N 35 119.485 119.485 119.130 0.355 19079 189 1 . 1 1 35 35 LEU HA H 35 5.102 5.102 4.837 0.265 19079 190 1 . 1 1 35 35 LEU C C 35 173.060 173.060 174.446 -1.386 19079 191 1 . 1 1 35 35 LEU CA C 35 54.268 54.268 53.981 0.287 19079 192 1 . 1 1 35 35 LEU CB C 35 47.326 47.326 45.587 1.739 19079 193 1 . 1 1 35 35 LEU H H 35 7.820 7.820 7.518 0.302 19079 194 1 . 1 1 36 36 GLN N N 36 127.748 127.748 121.542 6.206 19079 195 1 . 1 1 36 36 GLN HA H 36 4.790 4.790 4.885 -0.095 19079 196 1 . 1 1 36 36 GLN C C 36 173.161 173.161 174.163 -1.002 19079 197 1 . 1 1 36 36 GLN CA C 36 55.286 55.286 53.914 1.372 19079 198 1 . 1 1 36 36 GLN CB C 36 32.594 32.594 33.010 -0.416 19079 199 1 . 1 1 36 36 GLN H H 36 9.050 9.050 8.562 0.488 19079 200 1 . 1 1 37 37 ILE N N 37 125.606 125.606 121.356 4.250 19079 201 1 . 1 1 37 37 ILE HA H 37 4.807 4.807 4.803 0.004 19079 202 1 . 1 1 37 37 ILE C C 37 174.921 174.921 174.444 0.477 19079 203 1 . 1 1 37 37 ILE CA C 37 59.869 59.869 59.639 0.230 19079 204 1 . 1 1 37 37 ILE CB C 37 39.750 39.750 40.630 -0.880 19079 205 1 . 1 1 37 37 ILE H H 37 8.828 8.828 8.286 0.542 19079 206 1 . 1 1 38 38 ASP N N 38 128.163 128.163 124.625 3.538 19079 207 1 . 1 1 38 38 ASP HA H 38 5.259 5.259 4.975 0.284 19079 208 1 . 1 1 38 38 ASP C C 38 176.122 176.122 175.227 0.895 19079 209 1 . 1 1 38 38 ASP CA C 38 52.316 52.316 51.892 0.424 19079 210 1 . 1 1 38 38 ASP CB C 38 43.251 43.251 44.731 -1.480 19079 211 1 . 1 1 38 38 ASP H H 38 9.226 9.226 8.291 0.935 19079 212 1 . 1 1 39 39 GLY N N 39 107.273 107.273 106.601 0.672 19079 213 1 . 1 1 39 39 GLY C C 39 171.808 171.808 173.106 -1.298 19079 214 1 . 1 1 39 39 GLY CA C 39 45.108 45.108 44.320 0.788 19079 215 1 . 1 1 39 39 GLY H H 39 8.682 8.682 8.480 0.202 19079 216 1 . 1 1 40 40 CYS N N 40 114.602 114.602 118.716 -4.114 19079 217 1 . 1 1 40 40 CYS HA H 40 4.832 4.832 4.597 0.235 19079 218 1 . 1 1 40 40 CYS CA C 40 55.517 55.517 58.303 -2.786 19079 219 1 . 1 1 40 40 CYS CB C 40 30.872 30.872 30.776 0.096 19079 220 1 . 1 1 40 40 CYS H H 40 7.784 7.784 8.134 -0.350 19079 221 1 . 1 1 41 41 ASP N N 41 121.388 121.388 122.288 -0.900 19079 222 1 . 1 1 41 41 ASP HA H 41 4.618 4.618 4.697 -0.079 19079 223 1 . 1 1 41 41 ASP CA C 41 54.808 54.808 54.689 0.119 19079 224 1 . 1 1 41 41 ASP CB C 41 41.299 41.299 40.978 0.321 19079 225 1 . 1 1 41 41 ASP H H 41 8.496 8.496 8.501 -0.005 19079 226 1 . 1 1 42 42 GLN N N 42 118.506 118.506 119.589 -1.083 19079 227 1 . 1 1 42 42 GLN HA H 42 4.900 4.900 4.622 0.278 19079 228 1 . 1 1 42 42 GLN CA C 42 52.529 52.529 53.097 -0.568 19079 229 1 . 1 1 42 42 GLN CB C 42 30.580 30.580 28.815 1.765 19079 230 1 . 1 1 42 42 GLN H H 42 7.592 7.592 7.826 -0.234 19079 231 1 . 1 1 43 43 PRO HA H 43 4.438 4.438 4.507 -0.069 19079 232 1 . 1 1 43 43 PRO CA C 43 63.283 63.283 62.766 0.517 19079 233 1 . 1 1 43 43 PRO CB C 43 32.178 32.178 32.412 -0.234 19079 234 1 . 1 1 44 44 GLY N N 44 109.062 109.062 108.928 0.134 19079 235 1 . 1 1 44 44 GLY CA C 44 45.265 45.265 43.855 1.410 19079 236 1 . 1 1 44 44 GLY H H 44 8.249 8.249 8.142 0.107 19079 237 1 . 1 1 45 45 PRO HA H 45 4.535 4.535 4.422 0.113 19079 238 1 . 1 1 45 45 PRO CA C 45 63.511 63.511 63.282 0.229 19079 239 1 . 1 1 45 45 PRO CB C 45 33.193 33.193 31.918 1.275 19079 240 1 . 1 1 46 46 ASP N N 46 121.254 121.254 121.166 0.088 19079 241 1 . 1 1 46 46 ASP HA H 46 4.784 4.784 4.445 0.339 19079 242 1 . 1 1 46 46 ASP C C 46 174.555 174.555 174.888 -0.333 19079 243 1 . 1 1 46 46 ASP CA C 46 55.268 55.268 55.205 0.063 19079 244 1 . 1 1 46 46 ASP CB C 46 43.360 43.360 41.136 2.224 19079 245 1 . 1 1 46 46 ASP H H 46 8.533 8.533 8.366 0.167 19079 246 1 . 1 1 47 47 ASN N N 47 118.452 118.452 121.183 -2.731 19079 247 1 . 1 1 47 47 ASN HA H 47 4.912 4.912 4.832 0.080 19079 248 1 . 1 1 47 47 ASN C C 47 172.394 172.394 174.483 -2.089 19079 249 1 . 1 1 47 47 ASN CA C 47 52.877 52.877 52.083 0.794 19079 250 1 . 1 1 47 47 ASN CB C 47 42.185 42.185 39.792 2.393 19079 251 1 . 1 1 47 47 ASN H H 47 8.668 8.668 8.279 0.389 19079 252 1 . 1 1 48 48 ILE N N 48 126.910 126.910 124.982 1.928 19079 253 1 . 1 1 48 48 ILE HA H 48 5.269 5.269 4.000 1.269 19079 254 1 . 1 1 48 48 ILE CA C 48 57.457 57.457 60.906 -3.449 19079 255 1 . 1 1 48 48 ILE CB C 48 39.411 39.411 37.500 1.911 19079 256 1 . 1 1 48 48 ILE H H 48 8.377 8.377 8.251 0.126 19079 257 1 . 1 1 49 49 PRO HA H 49 4.571 4.571 4.450 0.121 19079 258 1 . 1 1 49 49 PRO CA C 49 62.019 62.019 62.502 -0.483 19079 259 1 . 1 1 49 49 PRO CB C 49 34.068 34.068 32.649 1.419 19079 260 1 . 1 1 50 50 ASP N N 50 117.512 117.512 117.205 0.307 19079 261 1 . 1 1 50 50 ASP HA H 50 4.847 4.847 4.834 0.013 19079 262 1 . 1 1 50 50 ASP C C 50 175.105 175.105 175.232 -0.127 19079 263 1 . 1 1 50 50 ASP CA C 50 52.186 52.186 53.848 -1.662 19079 264 1 . 1 1 50 50 ASP CB C 50 40.206 40.206 40.976 -0.770 19079 265 1 . 1 1 50 50 ASP H H 50 7.928 7.928 8.582 -0.654 19079 266 1 . 1 1 51 51 CYS N N 51 117.841 117.841 119.161 -1.320 19079 267 1 . 1 1 51 51 CYS HA H 51 4.645 4.645 4.727 -0.082 19079 268 1 . 1 1 51 51 CYS C C 51 173.952 173.952 173.365 0.587 19079 269 1 . 1 1 51 51 CYS CA C 51 57.079 57.079 58.198 -1.119 19079 270 1 . 1 1 51 51 CYS CB C 51 31.834 31.834 29.735 2.099 19079 271 1 . 1 1 51 51 CYS H H 51 6.998 6.998 8.014 -1.016 19079 272 1 . 1 1 52 52 ASP N N 52 113.831 113.831 123.985 -10.154 19079 273 1 . 1 1 52 52 ASP HA H 52 4.790 4.790 4.588 0.202 19079 274 1 . 1 1 52 52 ASP C C 52 177.522 177.522 175.393 2.129 19079 275 1 . 1 1 52 52 ASP CA C 52 52.266 52.266 53.513 -1.247 19079 276 1 . 1 1 52 52 ASP CB C 52 41.108 41.108 39.579 1.529 19079 277 1 . 1 1 52 52 ASP H H 52 7.839 7.839 8.504 -0.665 19079 278 1 . 1 1 53 53 CYS N N 53 120.924 120.924 120.246 0.678 19079 279 1 . 1 1 53 53 CYS HA H 53 4.176 4.176 4.313 -0.137 19079 280 1 . 1 1 53 53 CYS C C 53 177.320 177.320 175.760 1.560 19079 281 1 . 1 1 53 53 CYS CA C 53 62.456 62.456 59.256 3.199 19079 282 1 . 1 1 53 53 CYS CB C 53 31.077 31.077 27.991 3.086 19079 283 1 . 1 1 53 53 CYS H H 53 8.180 8.180 8.293 -0.113 19079 284 1 . 1 1 54 54 THR N N 54 108.381 108.381 112.083 -3.702 19079 285 1 . 1 1 54 54 THR HA H 54 4.168 4.168 4.385 -0.217 19079 286 1 . 1 1 54 54 THR C C 54 172.044 172.044 174.646 -2.602 19079 287 1 . 1 1 54 54 THR CA C 54 60.645 60.645 63.510 -2.865 19079 288 1 . 1 1 54 54 THR CB C 54 69.425 69.425 69.612 -0.187 19079 289 1 . 1 1 54 54 THR H H 54 8.728 8.728 8.169 0.559 19079 290 1 . 1 1 55 55 SER N N 55 114.465 114.465 119.559 -5.094 19079 291 1 . 1 1 55 55 SER HA H 55 4.906 4.906 4.859 0.047 19079 292 1 . 1 1 55 55 SER C C 55 172.897 172.897 174.514 -1.617 19079 293 1 . 1 1 55 55 SER CA C 55 56.279 56.279 57.617 -1.338 19079 294 1 . 1 1 55 55 SER CB C 55 66.156 66.156 63.269 2.887 19079 295 1 . 1 1 55 55 SER H H 55 7.433 7.433 7.971 -0.538 19079 296 1 . 1 1 56 56 GLY N N 56 106.492 106.492 112.219 -5.727 19079 297 1 . 1 1 56 56 GLY C C 56 172.400 172.400 172.452 -0.052 19079 298 1 . 1 1 56 56 GLY CA C 56 46.778 46.778 44.164 2.614 19079 299 1 . 1 1 56 56 GLY H H 56 8.431 8.431 8.511 -0.080 19079 300 1 . 1 1 57 57 CYS N N 57 123.907 123.907 117.565 6.342 19079 301 1 . 1 1 57 57 CYS HA H 57 5.755 5.755 5.700 0.055 19079 302 1 . 1 1 57 57 CYS C C 57 171.012 171.012 173.097 -2.085 19079 303 1 . 1 1 57 57 CYS CA C 57 54.317 54.317 56.875 -2.558 19079 304 1 . 1 1 57 57 CYS CB C 57 32.040 32.040 30.444 1.596 19079 305 1 . 1 1 57 57 CYS H H 57 9.782 9.782 8.676 1.106 19079 306 1 . 1 1 58 58 TYR N N 58 121.251 121.251 122.041 -0.790 19079 307 1 . 1 1 58 58 TYR HA H 58 6.413 6.413 5.673 0.740 19079 308 1 . 1 1 58 58 TYR C C 58 172.177 172.177 173.517 -1.340 19079 309 1 . 1 1 58 58 TYR CA C 58 54.179 54.179 54.306 -0.127 19079 310 1 . 1 1 58 58 TYR CB C 58 44.751 44.751 41.782 2.969 19079 311 1 . 1 1 58 58 TYR H H 58 9.324 9.324 8.925 0.399 19079 312 1 . 1 1 59 59 TYR N N 59 119.921 119.921 125.292 -5.371 19079 313 1 . 1 1 59 59 TYR HA H 59 3.155 3.155 3.586 -0.431 19079 314 1 . 1 1 59 59 TYR C C 59 173.490 173.490 174.291 -0.801 19079 315 1 . 1 1 59 59 TYR CA C 59 56.439 56.439 57.036 -0.597 19079 316 1 . 1 1 59 59 TYR CB C 59 38.280 38.280 37.262 1.018 19079 317 1 . 1 1 59 59 TYR H H 59 7.851 7.851 7.676 0.175 19079 318 1 . 1 1 60 60 SER N N 60 122.333 122.333 122.491 -0.158 19079 319 1 . 1 1 60 60 SER HA H 60 4.286 4.286 4.231 0.055 19079 320 1 . 1 1 60 60 SER C C 60 174.282 174.282 175.015 -0.733 19079 321 1 . 1 1 60 60 SER CA C 60 54.201 54.201 56.980 -2.779 19079 322 1 . 1 1 60 60 SER CB C 60 63.429 63.429 63.604 -0.175 19079 323 1 . 1 1 60 60 SER H H 60 7.184 7.184 8.029 -0.845 19079 324 1 . 1 1 61 61 ARG N N 61 131.876 131.876 128.872 3.004 19079 325 1 . 1 1 61 61 ARG HA H 61 3.755 3.755 3.993 -0.238 19079 326 1 . 1 1 61 61 ARG C C 61 179.454 179.454 177.503 1.951 19079 327 1 . 1 1 61 61 ARG CA C 61 58.733 58.733 58.026 0.707 19079 328 1 . 1 1 61 61 ARG CB C 61 29.216 29.216 29.975 -0.759 19079 329 1 . 1 1 61 61 ARG H H 61 9.058 9.058 8.729 0.329 19079 330 1 . 1 1 62 62 SER N N 62 115.806 115.806 113.905 1.901 19079 331 1 . 1 1 62 62 SER HA H 62 4.021 4.021 4.287 -0.266 19079 332 1 . 1 1 62 62 SER C C 62 177.405 177.405 175.031 2.374 19079 333 1 . 1 1 62 62 SER CA C 62 60.787 60.787 60.790 -0.003 19079 334 1 . 1 1 62 62 SER CB C 62 60.994 60.994 63.321 -2.327 19079 335 1 . 1 1 62 62 SER H H 62 8.933 8.933 8.326 0.607 19079 336 1 . 1 1 63 63 LEU N N 63 120.142 120.142 119.429 0.713 19079 337 1 . 1 1 63 63 LEU HA H 63 4.315 4.315 4.544 -0.229 19079 338 1 . 1 1 63 63 LEU C C 63 175.462 175.462 176.414 -0.952 19079 339 1 . 1 1 63 63 LEU CA C 63 54.589 54.589 53.900 0.689 19079 340 1 . 1 1 63 63 LEU CB C 63 41.583 41.583 42.206 -0.623 19079 341 1 . 1 1 63 63 LEU H H 63 7.372 7.372 7.129 0.243 19079 342 1 . 1 1 64 64 ASP N N 64 124.723 124.723 119.299 5.424 19079 343 1 . 1 1 64 64 ASP HA H 64 4.308 4.308 4.199 0.109 19079 344 1 . 1 1 64 64 ASP C C 64 174.405 174.405 174.546 -0.141 19079 345 1 . 1 1 64 64 ASP CA C 64 54.269 54.269 55.286 -1.017 19079 346 1 . 1 1 64 64 ASP CB C 64 39.892 39.892 40.048 -0.156 19079 347 1 . 1 1 64 64 ASP H H 64 8.122 8.122 7.791 0.331 19079 348 1 . 1 1 65 65 ARG N N 65 111.932 111.932 113.414 -1.482 19079 349 1 . 1 1 65 65 ARG HA H 65 4.648 4.648 4.438 0.210 19079 350 1 . 1 1 65 65 ARG C C 65 172.842 172.842 174.014 -1.172 19079 351 1 . 1 1 65 65 ARG CA C 65 54.327 54.327 54.777 -0.450 19079 352 1 . 1 1 65 65 ARG CB C 65 33.013 33.013 31.465 1.548 19079 353 1 . 1 1 65 65 ARG H H 65 7.434 7.434 7.729 -0.295 19079 354 1 . 1 1 66 66 TYR N N 66 121.286 121.286 122.168 -0.882 19079 355 1 . 1 1 66 66 TYR HA H 66 4.821 4.821 4.695 0.126 19079 356 1 . 1 1 66 66 TYR C C 66 176.123 176.123 176.394 -0.271 19079 357 1 . 1 1 66 66 TYR CA C 66 56.752 56.752 59.346 -2.594 19079 358 1 . 1 1 66 66 TYR CB C 66 41.877 41.877 39.097 2.780 19079 359 1 . 1 1 66 66 TYR H H 66 8.068 8.068 8.571 -0.503 19079 360 1 . 1 1 67 67 ILE N N 67 119.080 119.080 119.968 -0.888 19079 361 1 . 1 1 67 67 ILE HA H 67 4.620 4.620 4.822 -0.202 19079 362 1 . 1 1 67 67 ILE CA C 67 57.840 57.840 57.201 0.639 19079 363 1 . 1 1 67 67 ILE CB C 67 41.191 41.191 41.424 -0.233 19079 364 1 . 1 1 67 67 ILE H H 67 8.640 8.640 8.639 0.001 19079 365 1 . 1 1 68 68 PRO HA H 68 4.772 4.772 4.962 -0.190 19079 366 1 . 1 1 68 68 PRO CA C 68 62.709 62.709 62.687 0.022 19079 367 1 . 1 1 68 68 PRO CB C 68 32.923 32.923 31.369 1.554 19079 368 1 . 1 1 69 69 VAL N N 69 120.668 120.668 117.360 3.308 19079 369 1 . 1 1 69 69 VAL HA H 69 4.764 4.764 4.630 0.134 19079 370 1 . 1 1 69 69 VAL C C 69 171.299 171.299 173.838 -2.539 19079 371 1 . 1 1 69 69 VAL CA C 69 60.758 60.758 59.166 1.592 19079 372 1 . 1 1 69 69 VAL CB C 69 36.158 36.158 35.872 0.286 19079 373 1 . 1 1 69 69 VAL H H 69 8.866 8.866 8.709 0.157 19079 374 1 . 1 1 70 70 GLU N N 70 127.352 127.352 121.344 6.008 19079 375 1 . 1 1 70 70 GLU HA H 70 4.694 4.694 4.870 -0.176 19079 376 1 . 1 1 70 70 GLU C C 70 176.084 176.084 175.399 0.685 19079 377 1 . 1 1 70 70 GLU CA C 70 55.438 55.438 55.081 0.357 19079 378 1 . 1 1 70 70 GLU CB C 70 31.941 31.941 31.599 0.342 19079 379 1 . 1 1 70 70 GLU H H 70 8.303 8.303 8.546 -0.243 19079 380 1 . 1 1 71 71 CYS N N 71 118.985 118.985 123.390 -4.405 19079 381 1 . 1 1 71 71 CYS HA H 71 5.283 5.283 5.116 0.167 19079 382 1 . 1 1 71 71 CYS C C 71 173.987 173.987 173.646 0.341 19079 383 1 . 1 1 71 71 CYS CA C 71 56.927 56.927 56.180 0.747 19079 384 1 . 1 1 71 71 CYS CB C 71 32.056 32.056 31.869 0.187 19079 385 1 . 1 1 71 71 CYS H H 71 8.044 8.044 8.680 -0.636 19079 386 1 . 1 1 72 72 GLU N N 72 119.188 119.188 119.157 0.031 19079 387 1 . 1 1 72 72 GLU HA H 72 4.550 4.550 4.515 0.035 19079 388 1 . 1 1 72 72 GLU C C 72 175.540 175.540 175.023 0.517 19079 389 1 . 1 1 72 72 GLU CA C 72 54.422 54.422 54.212 0.210 19079 390 1 . 1 1 72 72 GLU CB C 72 32.723 32.723 30.995 1.728 19079 391 1 . 1 1 72 72 GLU H H 72 8.651 8.651 8.740 -0.089 19079 392 1 . 1 1 73 73 ALA N N 73 128.127 128.127 127.733 0.394 19079 393 1 . 1 1 73 73 ALA HA H 73 4.894 4.894 4.386 0.508 19079 394 1 . 1 1 73 73 ALA C C 73 177.065 177.065 176.682 0.383 19079 395 1 . 1 1 73 73 ALA CA C 73 51.934 51.934 51.846 0.088 19079 396 1 . 1 1 73 73 ALA CB C 73 19.744 19.744 19.202 0.542 19079 397 1 . 1 1 73 73 ALA H H 73 8.825 8.825 8.544 0.281 19079 398 1 . 1 1 74 74 HIS N N 74 120.049 120.049 124.210 -4.161 19079 399 1 . 1 1 74 74 HIS HA H 74 4.730 4.730 4.650 0.080 19079 400 1 . 1 1 74 74 HIS C C 74 173.973 173.973 175.277 -1.304 19079 401 1 . 1 1 74 74 HIS CA C 74 54.940 54.940 55.065 -0.125 19079 402 1 . 1 1 74 74 HIS CB C 74 32.641 32.641 32.003 0.638 19079 403 1 . 1 1 74 74 HIS H H 74 8.813 8.813 8.705 0.108 19079 404 1 . 1 1 75 75 ASP N N 75 125.469 125.469 125.248 0.221 19079 405 1 . 1 1 75 75 ASP HA H 75 4.619 4.619 4.465 0.154 19079 406 1 . 1 1 75 75 ASP CA C 75 57.576 57.576 57.380 0.196 19079 407 1 . 1 1 75 75 ASP CB C 75 42.215 42.215 41.333 0.882 19079 408 1 . 1 1 75 75 ASP H H 75 8.951 8.951 8.915 0.036 19079 409 1 . 1 1 76 76 TRP N N 76 113.768 113.768 114.290 -0.522 19079 410 1 . 1 1 76 76 TRP HA H 76 5.455 5.455 5.156 0.299 19079 411 1 . 1 1 76 76 TRP CA C 76 54.833 54.833 56.083 -1.250 19079 412 1 . 1 1 76 76 TRP CB C 76 31.701 31.701 30.899 0.802 19079 413 1 . 1 1 76 76 TRP H H 76 7.574 7.574 7.155 0.419 19079 414 1 . 1 1 77 77 TYR N N 77 122.650 122.650 120.398 2.252 19079 415 1 . 1 1 77 77 TYR CA C 77 57.248 57.248 56.008 1.240 19079 416 1 . 1 1 77 77 TYR CB C 77 33.700 33.700 41.637 -7.937 19079 417 1 . 1 1 77 77 TYR H H 77 8.981 8.981 8.268 0.713 19079 418 1 . 1 1 78 78 PRO HA H 78 4.493 4.493 4.764 -0.271 19079 419 1 . 1 1 78 78 PRO CA C 78 62.242 62.242 62.792 -0.550 19079 420 1 . 1 1 78 78 PRO CB C 78 31.237 31.237 32.268 -1.031 19079 421 1 . 1 1 79 79 VAL N N 79 123.871 123.871 124.046 -0.175 19079 422 1 . 1 1 79 79 VAL HA H 79 3.953 3.953 4.478 -0.525 19079 423 1 . 1 1 79 79 VAL C C 79 174.991 174.991 174.393 0.598 19079 424 1 . 1 1 79 79 VAL CA C 79 61.545 61.545 59.661 1.884 19079 425 1 . 1 1 79 79 VAL CB C 79 33.090 33.090 34.474 -1.384 19079 426 1 . 1 1 79 79 VAL H H 79 8.512 8.512 9.003 -0.491 19079 427 1 . 1 1 80 80 GLU N N 80 124.050 124.050 128.289 -4.239 19079 428 1 . 1 1 80 80 GLU HA H 80 4.072 4.072 4.223 -0.151 19079 429 1 . 1 1 80 80 GLU C C 80 175.607 175.607 175.533 0.074 19079 430 1 . 1 1 80 80 GLU CA C 80 56.291 56.291 56.228 0.063 19079 431 1 . 1 1 80 80 GLU CB C 80 30.272 30.272 29.727 0.545 19079 432 1 . 1 1 80 80 GLU H H 80 8.068 8.068 8.618 -0.550 19079 433 1 . 1 1 81 81 GLU N N 81 120.701 120.701 122.481 -1.780 19079 434 1 . 1 1 81 81 GLU HA H 81 4.194 4.194 4.244 -0.050 19079 435 1 . 1 1 81 81 GLU C C 81 175.817 175.817 176.292 -0.475 19079 436 1 . 1 1 81 81 GLU CA C 81 57.390 57.390 57.295 0.095 19079 437 1 . 1 1 81 81 GLU CB C 81 30.713 30.713 29.495 1.218 19079 438 1 . 1 1 81 81 GLU H H 81 8.751 8.751 8.633 0.118 19079 439 1 . 1 1 82 82 THR N N 82 115.162 115.162 118.142 -2.980 19079 440 1 . 1 1 82 82 THR HA H 82 4.688 4.688 4.426 0.262 19079 441 1 . 1 1 82 82 THR CA C 82 60.041 60.041 61.199 -1.158 19079 442 1 . 1 1 82 82 THR CB C 82 73.866 73.866 69.728 4.138 19079 443 1 . 1 1 82 82 THR H H 82 8.631 8.631 8.541 0.090 19079 444 1 . 1 1 83 83 GLN N N 83 116.650 116.650 119.684 -3.034 19079 445 1 . 1 1 83 83 GLN HA H 83 4.629 4.629 3.933 0.696 19079 446 1 . 1 1 83 83 GLN CA C 83 57.643 57.643 58.509 -0.866 19079 447 1 . 1 1 83 83 GLN CB C 83 30.537 30.537 27.885 2.652 19079 448 1 . 1 1 83 83 GLN H H 83 8.714 8.714 8.618 0.096 19079 449 1 . 1 1 86 86 PRO HA H 86 4.779 4.779 4.440 0.339 19079 450 1 . 1 1 86 86 PRO CA C 86 62.018 62.018 62.374 -0.356 19079 451 1 . 1 1 86 86 PRO CB C 86 32.818 32.818 32.860 -0.042 19079 452 1 . 1 1 87 87 LYS N N 87 123.136 123.136 120.768 2.368 19079 453 1 . 1 1 87 87 LYS HA H 87 4.545 4.545 4.487 0.058 19079 454 1 . 1 1 87 87 LYS C C 87 176.411 176.411 176.425 -0.014 19079 455 1 . 1 1 87 87 LYS CA C 87 57.800 57.800 57.044 0.756 19079 456 1 . 1 1 87 87 LYS CB C 87 32.322 32.322 32.369 -0.047 19079 457 1 . 1 1 87 87 LYS H H 87 8.936 8.936 8.350 0.586 19079 458 1 . 1 1 88 88 HIS N N 88 119.788 119.788 122.688 -2.900 19079 459 1 . 1 1 88 88 HIS HA H 88 4.973 4.973 4.623 0.350 19079 460 1 . 1 1 88 88 HIS C C 88 171.431 171.431 173.084 -1.653 19079 461 1 . 1 1 88 88 HIS CA C 88 55.171 55.171 55.831 -0.660 19079 462 1 . 1 1 88 88 HIS CB C 88 29.695 29.695 33.374 -3.679 19079 463 1 . 1 1 88 88 HIS H H 88 8.490 8.490 8.479 0.011 19079 464 1 . 1 1 89 89 ILE N N 89 120.371 120.371 120.474 -0.103 19079 465 1 . 1 1 89 89 ILE HA H 89 4.453 4.453 4.695 -0.242 19079 466 1 . 1 1 89 89 ILE C C 89 176.167 176.167 175.177 0.990 19079 467 1 . 1 1 89 89 ILE CA C 89 60.066 60.066 59.436 0.630 19079 468 1 . 1 1 89 89 ILE CB C 89 38.855 38.855 38.912 -0.057 19079 469 1 . 1 1 89 89 ILE H H 89 8.417 8.417 8.359 0.058 19079 470 1 . 1 1 90 90 GLN N N 90 122.913 122.913 124.052 -1.139 19079 471 1 . 1 1 90 90 GLN HA H 90 5.313 5.313 4.458 0.855 19079 472 1 . 1 1 90 90 GLN CA C 90 54.194 54.194 53.953 0.241 19079 473 1 . 1 1 90 90 GLN CB C 90 32.780 32.780 32.297 0.483 19079 474 1 . 1 1 90 90 GLN H H 90 8.286 8.286 8.560 -0.274 19079 475 1 . 1 1 91 91 TYR N N 91 117.779 117.779 116.995 0.784 19079 476 1 . 1 1 91 91 TYR HA H 91 5.394 5.394 5.106 0.288 19079 477 1 . 1 1 91 91 TYR C C 91 175.762 175.762 175.432 0.330 19079 478 1 . 1 1 91 91 TYR CA C 91 56.672 56.672 56.621 0.051 19079 479 1 . 1 1 91 91 TYR CB C 91 41.701 41.701 41.909 -0.208 19079 480 1 . 1 1 91 91 TYR H H 91 8.086 8.086 8.362 -0.276 19079 481 1 . 1 1 92 92 ASN N N 92 113.182 113.182 116.033 -2.851 19079 482 1 . 1 1 92 92 ASN HA H 92 4.558 4.558 4.424 0.134 19079 483 1 . 1 1 92 92 ASN C C 92 172.369 172.369 173.973 -1.604 19079 484 1 . 1 1 92 92 ASN CA C 92 55.522 55.522 54.271 1.251 19079 485 1 . 1 1 92 92 ASN CB C 92 37.732 37.732 36.582 1.150 19079 486 1 . 1 1 92 92 ASN H H 92 8.529 8.529 8.677 -0.148 19079 487 1 . 1 1 93 93 LEU N N 93 117.359 117.359 119.114 -1.755 19079 488 1 . 1 1 93 93 LEU HA H 93 5.455 5.455 5.211 0.244 19079 489 1 . 1 1 93 93 LEU C C 93 177.709 177.709 175.530 2.179 19079 490 1 . 1 1 93 93 LEU CA C 93 54.341 54.341 53.840 0.501 19079 491 1 . 1 1 93 93 LEU CB C 93 47.006 47.006 45.252 1.754 19079 492 1 . 1 1 93 93 LEU H H 93 7.846 7.846 8.240 -0.394 19079 493 1 . 1 1 94 94 LEU N N 94 123.298 123.298 123.619 -0.321 19079 494 1 . 1 1 94 94 LEU HA H 94 5.014 5.014 5.008 0.006 19079 495 1 . 1 1 94 94 LEU C C 94 175.771 175.771 176.073 -0.302 19079 496 1 . 1 1 94 94 LEU CA C 94 53.889 53.889 53.871 0.018 19079 497 1 . 1 1 94 94 LEU CB C 94 44.784 44.784 43.541 1.243 19079 498 1 . 1 1 94 94 LEU H H 94 9.155 9.155 8.709 0.446 19079 499 1 . 1 1 95 95 ILE N N 95 121.585 121.585 124.538 -2.953 19079 500 1 . 1 1 95 95 ILE HA H 95 5.166 5.166 4.698 0.468 19079 501 1 . 1 1 95 95 ILE C C 95 175.885 175.885 175.564 0.321 19079 502 1 . 1 1 95 95 ILE CA C 95 59.795 59.795 59.368 0.427 19079 503 1 . 1 1 95 95 ILE CB C 95 39.820 39.820 38.798 1.022 19079 504 1 . 1 1 95 95 ILE H H 95 8.920 8.920 7.835 1.085 19079 505 1 . 1 1 96 96 GLY N N 96 115.891 115.891 115.001 0.890 19079 506 1 . 1 1 96 96 GLY C C 96 171.937 171.937 172.407 -0.470 19079 507 1 . 1 1 96 96 GLY CA C 96 44.865 44.865 44.363 0.502 19079 508 1 . 1 1 96 96 GLY H H 96 9.223 9.223 8.850 0.373 19079 509 1 . 1 1 97 97 GLU N N 97 119.340 119.340 124.024 -4.684 19079 510 1 . 1 1 97 97 GLU HA H 97 4.831 4.831 4.552 0.279 19079 511 1 . 1 1 97 97 GLU C C 97 175.567 175.567 175.777 -0.210 19079 512 1 . 1 1 97 97 GLU CA C 97 55.736 55.736 55.629 0.107 19079 513 1 . 1 1 97 97 GLU CB C 97 31.009 31.009 30.489 0.520 19079 514 1 . 1 1 97 97 GLU H H 97 8.197 8.197 8.277 -0.080 19079 515 1 . 1 1 98 98 GLY N N 98 113.912 113.912 112.580 1.332 19079 516 1 . 1 1 98 98 GLY CA C 98 45.089 45.089 43.672 1.416 19079 517 1 . 1 1 98 98 GLY H H 98 7.767 7.767 7.726 0.041 19079 518 1 . 1 1 99 99 PRO HA H 99 4.347 4.347 4.541 -0.194 19079 519 1 . 1 1 99 99 PRO CA C 99 62.396 62.396 62.682 -0.286 19079 520 1 . 1 1 99 99 PRO CB C 99 32.558 32.558 32.637 -0.079 19079 521 1 . 1 1 100 100 CYS N N 100 122.972 122.972 119.952 3.020 19079 522 1 . 1 1 100 100 CYS HA H 100 4.567 4.567 4.660 -0.093 19079 523 1 . 1 1 100 100 CYS C C 100 172.077 172.077 173.559 -1.482 19079 524 1 . 1 1 100 100 CYS CA C 100 60.097 60.097 57.786 2.311 19079 525 1 . 1 1 100 100 CYS CB C 100 28.063 28.063 28.936 -0.873 19079 526 1 . 1 1 100 100 CYS H H 100 8.219 8.219 8.264 -0.045 19079 527 1 . 1 1 101 101 VAL N N 101 123.973 123.973 121.451 2.522 19079 528 1 . 1 1 101 101 VAL HA H 101 4.888 4.888 4.498 0.390 19079 529 1 . 1 1 101 101 VAL CA C 101 58.947 58.947 59.069 -0.122 19079 530 1 . 1 1 101 101 VAL CB C 101 32.322 32.322 33.476 -1.154 19079 531 1 . 1 1 101 101 VAL H H 101 8.662 8.662 8.082 0.580 19079 532 1 . 1 1 103 103 GLY C C 103 175.333 175.333 174.725 0.608 19079 533 1 . 1 1 103 103 GLY CA C 103 45.683 45.683 45.497 0.186 19079 534 1 . 1 1 104 104 ASP N N 104 121.740 121.740 122.361 -0.621 19079 535 1 . 1 1 104 104 ASP HA H 104 4.836 4.836 4.499 0.337 19079 536 1 . 1 1 104 104 ASP C C 104 176.601 176.601 176.004 0.597 19079 537 1 . 1 1 104 104 ASP CA C 104 54.700 54.700 55.230 -0.530 19079 538 1 . 1 1 104 104 ASP CB C 104 41.322 41.322 41.162 0.160 19079 539 1 . 1 1 104 104 ASP H H 104 8.217 8.217 7.939 0.278 19079 540 1 . 1 1 105 105 ALA N N 105 121.750 121.750 120.687 1.063 19079 541 1 . 1 1 105 105 ALA HA H 105 3.707 3.707 3.970 -0.263 19079 542 1 . 1 1 105 105 ALA C C 105 175.218 175.218 177.659 -2.441 19079 543 1 . 1 1 105 105 ALA CA C 105 54.002 54.002 53.510 0.492 19079 544 1 . 1 1 105 105 ALA CB C 105 18.021 18.021 18.419 -0.398 19079 545 1 . 1 1 105 105 ALA H H 105 7.672 7.672 8.012 -0.340 19079 546 1 . 1 1 106 106 GLY N N 106 110.675 110.675 111.233 -0.558 19079 547 1 . 1 1 106 106 GLY C C 106 174.112 174.112 174.675 -0.563 19079 548 1 . 1 1 106 106 GLY CA C 106 45.354 45.354 44.684 0.670 19079 549 1 . 1 1 106 106 GLY H H 106 8.781 8.781 7.986 0.795 19079 550 1 . 1 1 107 107 GLY N N 107 104.052 104.052 109.910 -5.858 19079 551 1 . 1 1 107 107 GLY C C 107 173.970 173.970 174.233 -0.263 19079 552 1 . 1 1 107 107 GLY CA C 107 46.405 46.405 45.118 1.287 19079 553 1 . 1 1 107 107 GLY H H 107 7.727 7.727 7.794 -0.067 19079 554 1 . 1 1 108 108 LYS N N 108 122.212 122.212 125.251 -3.039 19079 555 1 . 1 1 108 108 LYS HA H 108 4.442 4.442 4.325 0.117 19079 556 1 . 1 1 108 108 LYS C C 108 175.056 175.056 175.778 -0.722 19079 557 1 . 1 1 108 108 LYS CA C 108 58.497 58.497 56.526 1.971 19079 558 1 . 1 1 108 108 LYS CB C 108 36.053 36.053 33.379 2.674 19079 559 1 . 1 1 108 108 LYS H H 108 8.553 8.553 8.467 0.086 19079 560 1 . 1 1 109 109 LEU N N 109 119.300 119.300 128.331 -9.031 19079 561 1 . 1 1 109 109 LEU HA H 109 4.881 4.881 5.159 -0.278 19079 562 1 . 1 1 109 109 LEU C C 109 175.017 175.017 174.650 0.367 19079 563 1 . 1 1 109 109 LEU CA C 109 53.372 53.372 53.765 -0.393 19079 564 1 . 1 1 109 109 LEU CB C 109 43.275 43.275 43.279 -0.004 19079 565 1 . 1 1 109 109 LEU H H 109 8.065 8.065 8.995 -0.930 19079 566 1 . 1 1 110 110 LEU N N 110 126.757 126.757 127.808 -1.051 19079 567 1 . 1 1 110 110 LEU HA H 110 5.498 5.498 4.902 0.596 19079 568 1 . 1 1 110 110 LEU C C 110 176.125 176.125 175.908 0.217 19079 569 1 . 1 1 110 110 LEU CA C 110 55.318 55.318 54.312 1.006 19079 570 1 . 1 1 110 110 LEU CB C 110 44.799 44.799 44.226 0.573 19079 571 1 . 1 1 110 110 LEU H H 110 9.450 9.450 9.129 0.321 19079 572 1 . 1 1 111 111 CYS N N 111 118.897 118.897 120.810 -1.913 19079 573 1 . 1 1 111 111 CYS HA H 111 5.254 5.254 4.844 0.410 19079 574 1 . 1 1 111 111 CYS C C 111 177.063 177.063 175.837 1.226 19079 575 1 . 1 1 111 111 CYS CA C 111 57.201 57.201 56.427 0.774 19079 576 1 . 1 1 111 111 CYS CB C 111 32.532 32.532 30.890 1.642 19079 577 1 . 1 1 111 111 CYS H H 111 8.575 8.575 8.708 -0.133 19079 578 1 . 1 1 112 112 ARG N N 112 116.382 116.382 120.110 -3.728 19079 579 1 . 1 1 112 112 ARG HA H 112 3.918 3.918 3.909 0.009 19079 580 1 . 1 1 112 112 ARG C C 112 176.892 176.892 177.496 -0.604 19079 581 1 . 1 1 112 112 ARG CA C 112 59.714 59.714 58.625 1.089 19079 582 1 . 1 1 112 112 ARG CB C 112 29.874 29.874 29.369 0.505 19079 583 1 . 1 1 112 112 ARG H H 112 8.350 8.350 8.653 -0.303 19079 584 1 . 1 1 113 113 HIS N N 113 121.579 121.579 114.089 7.490 19079 585 1 . 1 1 113 113 HIS HA H 113 4.480 4.480 4.700 -0.220 19079 586 1 . 1 1 113 113 HIS C C 113 175.439 175.439 175.716 -0.277 19079 587 1 . 1 1 113 113 HIS CA C 113 58.739 58.739 56.296 2.443 19079 588 1 . 1 1 113 113 HIS CB C 113 31.050 31.050 30.836 0.214 19079 589 1 . 1 1 113 113 HIS H H 113 10.445 10.445 7.228 3.217 19079 590 1 . 1 1 114 114 GLY N N 114 108.273 108.273 105.454 2.819 19079 591 1 . 1 1 114 114 GLY C C 114 169.307 169.307 172.911 -3.604 19079 592 1 . 1 1 114 114 GLY CA C 114 45.413 45.413 44.882 0.531 19079 593 1 . 1 1 114 114 GLY H H 114 7.689 7.689 7.448 0.241 19079 594 1 . 1 1 115 115 VAL N N 115 120.998 120.998 121.873 -0.875 19079 595 1 . 1 1 115 115 VAL HA H 115 4.476 4.476 4.060 0.416 19079 596 1 . 1 1 115 115 VAL C C 115 173.881 173.881 176.527 -2.646 19079 597 1 . 1 1 115 115 VAL CA C 115 62.513 62.513 64.506 -1.993 19079 598 1 . 1 1 115 115 VAL CB C 115 32.113 32.113 31.792 0.321 19079 599 1 . 1 1 115 115 VAL H H 115 8.455 8.455 8.474 -0.019 19079 600 1 . 1 1 116 116 ILE N N 116 114.566 114.566 117.697 -3.131 19079 601 1 . 1 1 116 116 ILE HA H 116 4.603 4.603 4.602 0.001 19079 602 1 . 1 1 116 116 ILE C C 116 175.445 175.445 174.796 0.649 19079 603 1 . 1 1 116 116 ILE CA C 116 61.470 61.470 60.210 1.260 19079 604 1 . 1 1 116 116 ILE CB C 116 40.782 40.782 39.091 1.691 19079 605 1 . 1 1 116 116 ILE H H 116 8.460 8.460 9.030 -0.570 19079 606 1 . 1 1 117 117 GLY N N 117 106.195 106.195 107.812 -1.617 19079 607 1 . 1 1 117 117 GLY C C 117 171.664 171.664 171.828 -0.164 19079 608 1 . 1 1 117 117 GLY CA C 117 46.303 46.303 45.748 0.555 19079 609 1 . 1 1 117 117 GLY H H 117 7.827 7.827 7.495 0.332 19079 610 1 . 1 1 118 118 ILE N N 118 109.501 109.501 115.601 -6.100 19079 611 1 . 1 1 118 118 ILE HA H 118 5.611 5.611 5.524 0.087 19079 612 1 . 1 1 118 118 ILE C C 118 176.642 176.642 175.419 1.223 19079 613 1 . 1 1 118 118 ILE CA C 118 58.787 58.787 57.857 0.930 19079 614 1 . 1 1 118 118 ILE CB C 118 43.351 43.351 41.966 1.385 19079 615 1 . 1 1 118 118 ILE H H 118 7.571 7.571 8.010 -0.439 19079 616 1 . 1 1 119 119 ILE N N 119 124.258 124.258 120.516 3.742 19079 617 1 . 1 1 119 119 ILE HA H 119 3.774 3.774 3.874 -0.100 19079 618 1 . 1 1 119 119 ILE C C 119 177.447 177.447 176.573 0.874 19079 619 1 . 1 1 119 119 ILE CA C 119 64.399 64.399 62.061 2.338 19079 620 1 . 1 1 119 119 ILE CB C 119 39.393 39.393 36.594 2.799 19079 621 1 . 1 1 119 119 ILE H H 119 9.465 9.465 8.149 1.316 19079 622 1 . 1 1 120 120 THR N N 120 122.153 122.153 123.225 -1.072 19079 623 1 . 1 1 120 120 THR HA H 120 4.670 4.670 4.387 0.283 19079 624 1 . 1 1 120 120 THR C C 120 171.416 171.416 173.679 -2.263 19079 625 1 . 1 1 120 120 THR CA C 120 61.440 61.440 61.336 0.104 19079 626 1 . 1 1 120 120 THR CB C 120 70.455 70.455 69.840 0.615 19079 627 1 . 1 1 120 120 THR H H 120 9.400 9.400 8.322 1.078 19079 628 1 . 1 1 121 121 ALA N N 121 124.014 124.014 121.785 2.229 19079 629 1 . 1 1 121 121 ALA HA H 121 4.583 4.583 4.607 -0.024 19079 630 1 . 1 1 121 121 ALA C C 121 173.695 173.695 174.929 -1.234 19079 631 1 . 1 1 121 121 ALA CA C 121 51.833 51.833 51.423 0.410 19079 632 1 . 1 1 121 121 ALA CB C 121 22.523 22.523 21.165 1.358 19079 633 1 . 1 1 121 121 ALA H H 121 7.885 7.885 7.204 0.681 19079 634 1 . 1 1 122 122 GLY N N 122 103.252 103.252 106.708 -3.456 19079 635 1 . 1 1 122 122 GLY C C 122 172.124 172.124 173.248 -1.124 19079 636 1 . 1 1 122 122 GLY CA C 122 45.917 45.917 45.100 0.817 19079 637 1 . 1 1 122 122 GLY H H 122 7.828 7.828 8.183 -0.355 19079 638 1 . 1 1 123 123 GLY N N 123 107.688 107.688 108.314 -0.626 19079 639 1 . 1 1 123 123 GLY C C 123 174.470 174.470 172.972 1.498 19079 640 1 . 1 1 123 123 GLY CA C 123 45.051 45.051 44.922 0.129 19079 641 1 . 1 1 123 123 GLY H H 123 8.285 8.285 8.605 -0.320 19079 642 1 . 1 1 124 124 ASP N N 124 120.288 120.288 121.005 -0.717 19079 643 1 . 1 1 124 124 ASP HA H 124 4.621 4.621 4.492 0.129 19079 644 1 . 1 1 124 124 ASP C C 124 176.061 176.061 177.069 -1.008 19079 645 1 . 1 1 124 124 ASP CA C 124 55.465 55.465 55.018 0.447 19079 646 1 . 1 1 124 124 ASP CB C 124 40.111 40.111 40.234 -0.123 19079 647 1 . 1 1 124 124 ASP H H 124 9.054 9.054 8.185 0.869 19079 648 1 . 1 1 125 125 GLY N N 125 105.482 105.482 110.903 -5.421 19079 649 1 . 1 1 125 125 GLY C C 125 174.566 174.566 173.101 1.465 19079 650 1 . 1 1 125 125 GLY CA C 125 45.493 45.493 45.578 -0.085 19079 651 1 . 1 1 125 125 GLY H H 125 8.567 8.567 8.736 -0.169 19079 652 1 . 1 1 126 126 HIS N N 126 117.677 117.677 117.841 -0.164 19079 653 1 . 1 1 126 126 HIS HA H 126 5.449 5.449 5.289 0.160 19079 654 1 . 1 1 126 126 HIS C C 126 172.058 172.058 173.245 -1.187 19079 655 1 . 1 1 126 126 HIS CA C 126 54.653 54.653 54.794 -0.141 19079 656 1 . 1 1 126 126 HIS CB C 126 31.709 31.709 33.072 -1.363 19079 657 1 . 1 1 126 126 HIS H H 126 7.852 7.852 7.482 0.370 19079 658 1 . 1 1 127 127 VAL N N 127 121.145 121.145 123.298 -2.153 19079 659 1 . 1 1 127 127 VAL HA H 127 4.230 4.230 4.359 -0.129 19079 660 1 . 1 1 127 127 VAL C C 127 170.317 170.317 173.309 -2.992 19079 661 1 . 1 1 127 127 VAL CA C 127 60.125 60.125 59.972 0.153 19079 662 1 . 1 1 127 127 VAL CB C 127 34.681 34.681 34.713 -0.032 19079 663 1 . 1 1 127 127 VAL H H 127 8.857 8.857 8.317 0.540 19079 664 1 . 1 1 128 128 ALA N N 128 127.867 127.867 130.860 -2.993 19079 665 1 . 1 1 128 128 ALA HA H 128 5.222 5.222 4.878 0.344 19079 666 1 . 1 1 128 128 ALA C C 128 175.506 175.506 175.713 -0.207 19079 667 1 . 1 1 128 128 ALA CA C 128 49.199 49.199 50.302 -1.103 19079 668 1 . 1 1 128 128 ALA CB C 128 21.731 21.731 21.022 0.709 19079 669 1 . 1 1 128 128 ALA H H 128 8.400 8.400 8.359 0.041 19079 670 1 . 1 1 129 129 PHE N N 129 121.202 121.202 118.568 2.634 19079 671 1 . 1 1 129 129 PHE HA H 129 5.301 5.301 5.204 0.097 19079 672 1 . 1 1 129 129 PHE C C 129 176.082 176.082 175.467 0.615 19079 673 1 . 1 1 129 129 PHE CA C 129 54.759 54.759 56.480 -1.721 19079 674 1 . 1 1 129 129 PHE CB C 129 41.372 41.372 43.322 -1.950 19079 675 1 . 1 1 129 129 PHE H H 129 9.689 9.689 8.363 1.326 19079 676 1 . 1 1 130 130 THR N N 130 121.809 121.809 119.414 2.395 19079 677 1 . 1 1 130 130 THR HA H 130 4.573 4.573 4.635 -0.062 19079 678 1 . 1 1 130 130 THR C C 130 173.050 173.050 174.111 -1.061 19079 679 1 . 1 1 130 130 THR CA C 130 63.487 63.487 61.663 1.824 19079 680 1 . 1 1 130 130 THR CB C 130 70.852 70.852 69.546 1.306 19079 681 1 . 1 1 130 130 THR H H 130 8.848 8.848 8.976 -0.128 19079 682 1 . 1 1 131 131 ASP N N 131 128.382 128.382 129.764 -1.382 19079 683 1 . 1 1 131 131 ASP HA H 131 4.915 4.915 4.787 0.128 19079 684 1 . 1 1 131 131 ASP C C 131 175.616 175.616 176.702 -1.086 19079 685 1 . 1 1 131 131 ASP CA C 131 52.924 52.924 55.158 -2.234 19079 686 1 . 1 1 131 131 ASP CB C 131 41.513 41.513 41.013 0.500 19079 687 1 . 1 1 131 131 ASP H H 131 8.722 8.722 8.424 0.298 19079 688 1 . 1 1 132 132 LEU N N 132 123.250 123.250 126.482 -3.232 19079 689 1 . 1 1 132 132 LEU HA H 132 4.325 4.325 4.388 -0.063 19079 690 1 . 1 1 132 132 LEU C C 132 179.704 179.704 178.024 1.680 19079 691 1 . 1 1 132 132 LEU CA C 132 55.286 55.286 55.631 -0.345 19079 692 1 . 1 1 132 132 LEU CB C 132 42.640 42.640 42.121 0.519 19079 693 1 . 1 1 132 132 LEU H H 132 8.788 8.788 8.185 0.603 19079 694 1 . 1 1 133 133 ARG N N 133 119.561 119.561 120.586 -1.025 19079 695 1 . 1 1 133 133 ARG HA H 133 3.977 3.977 4.182 -0.205 19079 696 1 . 1 1 133 133 ARG C C 133 177.476 177.476 175.693 1.783 19079 697 1 . 1 1 133 133 ARG CA C 133 61.799 61.799 60.589 1.210 19079 698 1 . 1 1 133 133 ARG CB C 133 27.601 27.601 28.276 -0.675 19079 699 1 . 1 1 133 133 ARG H H 133 8.961 8.961 7.813 1.148 19079 700 1 . 1 1 134 134 PRO HA H 134 4.284 4.284 4.359 -0.075 19079 701 1 . 1 1 134 134 PRO C C 134 175.695 175.695 176.104 -0.409 19079 702 1 . 1 1 134 134 PRO CA C 134 64.508 64.508 63.857 0.651 19079 703 1 . 1 1 134 134 PRO CB C 134 31.008 31.008 30.582 0.426 19079 704 1 . 1 1 135 135 TYR N N 135 114.745 114.745 118.834 -4.089 19079 705 1 . 1 1 135 135 TYR HA H 135 4.420 4.420 4.505 -0.085 19079 706 1 . 1 1 135 135 TYR C C 135 175.146 175.146 174.828 0.318 19079 707 1 . 1 1 135 135 TYR CA C 135 57.322 57.322 59.032 -1.710 19079 708 1 . 1 1 135 135 TYR CB C 135 39.549 39.549 39.278 0.271 19079 709 1 . 1 1 135 135 TYR H H 135 7.419 7.419 8.267 -0.848 19079 710 1 . 1 1 136 136 ASN N N 136 119.088 119.088 116.998 2.090 19079 711 1 . 1 1 136 136 ASN HA H 136 4.622 4.622 4.919 -0.297 19079 712 1 . 1 1 136 136 ASN C C 136 175.650 175.650 175.206 0.444 19079 713 1 . 1 1 136 136 ASN CA C 136 53.601 53.601 52.023 1.578 19079 714 1 . 1 1 136 136 ASN CB C 136 38.741 38.741 40.562 -1.821 19079 715 1 . 1 1 136 136 ASN H H 136 7.245 7.245 7.682 -0.437 19079 716 1 . 1 1 137 137 ILE N N 137 126.031 126.031 122.027 4.004 19079 717 1 . 1 1 137 137 ILE HA H 137 4.135 4.135 4.261 -0.126 19079 718 1 . 1 1 137 137 ILE C C 137 175.636 175.636 176.195 -0.559 19079 719 1 . 1 1 137 137 ILE CA C 137 61.215 61.215 60.318 0.897 19079 720 1 . 1 1 137 137 ILE CB C 137 38.380 38.380 35.183 3.197 19079 721 1 . 1 1 137 137 ILE H H 137 7.849 7.849 8.579 -0.730 19079 722 1 . 1 1 138 138 LYS N N 138 125.271 125.271 123.924 1.347 19079 723 1 . 1 1 138 138 LYS HA H 138 4.368 4.368 4.252 0.116 19079 724 1 . 1 1 138 138 LYS C C 138 176.110 176.110 176.472 -0.362 19079 725 1 . 1 1 138 138 LYS CA C 138 55.906 55.906 58.093 -2.187 19079 726 1 . 1 1 138 138 LYS CB C 138 33.564 33.564 32.650 0.914 19079 727 1 . 1 1 138 138 LYS H H 138 8.171 8.171 8.120 0.051 19079 728 1 . 1 1 139 139 ALA N N 139 124.226 124.226 119.761 4.465 19079 729 1 . 1 1 139 139 ALA HA H 139 4.384 4.384 4.324 0.060 19079 730 1 . 1 1 139 139 ALA C C 139 177.788 177.788 176.285 1.503 19079 731 1 . 1 1 139 139 ALA CA C 139 52.522 52.522 52.340 0.182 19079 732 1 . 1 1 139 139 ALA CB C 139 19.531 19.531 19.433 0.098 19079 733 1 . 1 1 139 139 ALA H H 139 8.207 8.207 7.974 0.233 19079 734 1 . 1 1 140 140 THR N N 140 112.869 112.869 112.970 -0.101 19079 735 1 . 1 1 140 140 THR HA H 140 4.390 4.390 4.479 -0.089 19079 736 1 . 1 1 140 140 THR C C 140 174.522 174.522 173.943 0.579 19079 737 1 . 1 1 140 140 THR CA C 140 61.685 61.685 61.835 -0.150 19079 738 1 . 1 1 140 140 THR CB C 140 69.961 69.961 69.919 0.042 19079 739 1 . 1 1 140 140 THR H H 140 8.094 8.094 7.933 0.161 19079 740 1 . 1 1 141 141 SER N N 141 118.138 118.138 117.121 1.017 19079 741 1 . 1 1 141 141 SER HA H 141 4.500 4.500 4.613 -0.113 19079 742 1 . 1 1 141 141 SER C C 141 173.503 173.503 174.045 -0.542 19079 743 1 . 1 1 141 141 SER CA C 141 58.315 58.315 58.026 0.289 19079 744 1 . 1 1 141 141 SER CB C 141 64.039 64.039 63.912 0.127 19079 745 1 . 1 1 141 141 SER H H 141 8.209 8.209 8.424 -0.216 19079 stop_ save_